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 3oae_1_D DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQLGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.647 177.584 0.105 0.000 1.274 20 A CA 0.000 52.069 52.037 0.053 0.000 0.836 20 A CB 0.000 19.035 19.000 0.058 0.000 0.831 21 V N 1.668 121.601 119.914 0.032 0.000 2.743 21 V HA 0.708 4.816 4.120 -0.019 0.000 0.301 21 V C 0.421 176.433 176.094 -0.138 0.000 1.057 21 V CA 0.043 62.379 62.300 0.060 0.000 1.006 21 V CB 1.454 33.218 31.823 -0.100 0.000 1.024 21 V HN 1.556 nan 8.190 nan 0.000 0.473 22 V N 0.449 120.353 119.914 -0.015 0.000 3.078 22 V HA 0.705 4.813 4.120 -0.019 0.000 0.311 22 V C -0.038 176.018 176.094 -0.065 0.000 1.138 22 V CA -0.795 61.382 62.300 -0.205 0.000 1.007 22 V CB 1.730 33.526 31.823 -0.044 0.000 1.045 22 V HN 0.822 nan 8.190 nan 0.000 0.432 23 S N 1.315 117.014 115.700 -0.000 0.000 2.563 23 S HA 0.097 4.556 4.470 -0.019 0.000 0.284 23 S C 1.548 176.159 174.600 0.019 0.000 1.331 23 S CA 0.500 58.803 58.200 0.172 0.000 1.047 23 S CB 0.833 64.130 63.200 0.162 0.000 0.859 23 S HN 1.648 nan 8.310 nan 0.000 0.514 24 T N 1.205 115.735 114.554 -0.041 0.000 2.962 24 T HA -0.066 4.273 4.350 -0.019 0.000 0.270 24 T C 0.923 175.356 174.700 -0.445 0.000 1.088 24 T CA 1.172 63.000 62.100 -0.453 0.000 1.127 24 T CB -0.454 68.310 68.868 -0.173 0.000 0.883 24 T HN 0.657 nan 8.240 nan 0.000 0.493 25 D N 1.527 121.819 120.400 -0.181 0.000 2.263 25 D HA -0.076 4.552 4.640 -0.019 0.000 0.208 25 D C 2.163 178.398 176.300 -0.108 0.000 0.971 25 D CA 0.734 54.664 54.000 -0.116 0.000 0.867 25 D CB -0.159 40.619 40.800 -0.037 0.000 0.929 25 D HN 0.540 nan 8.370 nan 0.000 0.492 26 E N 0.071 120.202 120.200 -0.116 0.000 2.017 26 E HA -0.157 4.182 4.350 -0.019 0.000 0.193 26 E C 1.928 178.554 176.600 0.044 0.000 0.997 26 E CA 0.999 57.392 56.400 -0.011 0.000 0.804 26 E CB -0.214 29.526 29.700 0.066 0.000 0.757 26 E HN 0.593 nan 8.360 nan 0.000 0.448 27 Y N -1.355 118.943 120.300 -0.002 0.000 2.444 27 Y HA 0.386 4.924 4.550 -0.019 0.000 0.249 27 Y C 0.533 176.485 175.900 0.087 0.000 1.134 27 Y CA -0.407 57.709 58.100 0.027 0.000 1.261 27 Y CB 0.272 38.731 38.460 -0.002 0.000 1.143 27 Y HN -0.330 nan 8.280 nan 0.000 0.523 28 V N 2.441 122.263 119.914 -0.152 0.000 2.370 28 V HA 0.726 4.835 4.120 -0.019 0.000 0.283 28 V C 0.156 176.220 176.094 -0.051 0.000 1.023 28 V CA -1.075 61.193 62.300 -0.054 0.000 0.857 28 V CB 0.726 32.457 31.823 -0.152 0.000 0.985 28 V HN 0.405 nan 8.190 nan 0.000 0.443 29 A N 6.414 129.225 122.820 -0.015 0.000 2.309 29 A HA 0.708 5.016 4.320 -0.019 0.000 0.298 29 A C 0.116 177.664 177.584 -0.060 0.000 1.165 29 A CA -0.680 51.342 52.037 -0.025 0.000 0.821 29 A CB 0.509 19.510 19.000 0.001 0.000 1.102 29 A HN 0.716 nan 8.150 nan 0.000 0.500 30 R N 1.986 122.450 120.500 -0.060 0.000 2.229 30 R HA 0.332 4.660 4.340 -0.019 0.000 0.328 30 R C 0.613 176.852 176.300 -0.102 0.000 1.009 30 R CA 0.029 56.077 56.100 -0.087 0.000 0.864 30 R CB 1.062 31.328 30.300 -0.057 0.000 1.085 30 R HN 0.943 nan 8.270 nan 0.000 0.453 31 T N -1.615 112.833 114.554 -0.176 0.000 2.833 31 T HA 0.114 4.452 4.350 -0.019 0.000 0.292 31 T C 0.857 175.429 174.700 -0.214 0.000 1.031 31 T CA -0.432 61.547 62.100 -0.202 0.000 0.937 31 T CB 0.886 69.534 68.868 -0.366 0.000 1.256 31 T HN 0.612 nan 8.240 nan 0.000 0.551 32 N N -0.922 117.667 118.700 -0.184 0.000 2.205 32 N HA 0.206 4.934 4.740 -0.019 0.000 0.201 32 N C -0.080 175.379 175.510 -0.084 0.000 1.128 32 N CA -0.346 52.658 53.050 -0.076 0.000 0.867 32 N CB 0.120 38.623 38.487 0.027 0.000 0.996 32 N HN 0.505 nan 8.380 nan 0.000 0.503 33 I N 1.591 122.025 120.570 -0.226 0.000 2.441 33 I HA 0.162 4.320 4.170 -0.019 0.000 0.287 33 I C -0.730 175.342 176.117 -0.076 0.000 1.049 33 I CA -0.074 61.200 61.300 -0.045 0.000 1.381 33 I CB -0.217 37.763 38.000 -0.033 0.000 1.409 33 I HN -0.022 nan 8.210 nan 0.000 0.523 34 Y N 5.128 125.568 120.300 0.232 0.000 2.442 34 Y HA 0.544 5.082 4.550 -0.019 0.000 0.344 34 Y C -0.652 175.350 175.900 0.170 0.000 0.976 34 Y CA -0.646 57.590 58.100 0.226 0.000 1.040 34 Y CB 2.009 40.539 38.460 0.117 0.000 1.228 34 Y HN 0.342 nan 8.280 nan 0.000 0.451 35 Y N 1.368 121.772 120.300 0.174 0.000 2.524 35 Y HA 0.387 4.926 4.550 -0.019 0.000 0.344 35 Y C -0.240 175.530 175.900 -0.216 0.000 1.012 35 Y CA -1.118 56.982 58.100 0.001 0.000 1.068 35 Y CB 1.604 40.018 38.460 -0.075 0.000 1.249 35 Y HN 0.573 nan 8.280 nan 0.000 0.468 36 H N 1.490 120.417 119.070 -0.238 0.000 2.529 36 H HA 0.881 5.426 4.556 -0.019 0.000 0.348 36 H C -1.690 173.290 175.328 -0.580 0.000 1.152 36 H CA -0.618 55.173 56.048 -0.429 0.000 1.202 36 H CB 1.688 31.129 29.762 -0.536 0.000 1.562 36 H HN 0.821 nan 8.280 nan 0.000 0.515 37 A N 2.446 124.623 122.820 -1.072 0.000 2.547 37 A HA 0.664 4.972 4.320 -0.019 0.000 0.297 37 A C -0.971 176.308 177.584 -0.509 0.000 1.056 37 A CA -0.043 51.623 52.037 -0.619 0.000 0.688 37 A CB 1.783 20.371 19.000 -0.687 0.000 1.282 37 A HN 0.933 nan 8.150 nan 0.000 0.400 38 G N 0.081 108.792 108.800 -0.148 0.000 2.720 38 G HA2 0.681 4.629 3.960 -0.019 0.000 0.295 38 G HA3 0.681 4.629 3.960 -0.019 0.000 0.295 38 G C -0.364 174.563 174.900 0.045 0.000 1.437 38 G CA 0.251 45.340 45.100 -0.019 0.000 0.886 38 G HN 1.499 nan 8.290 nan 0.000 0.509 39 T N -1.350 113.220 114.554 0.027 0.000 2.868 39 T HA 0.439 4.778 4.350 -0.019 0.000 0.292 39 T C 1.866 176.588 174.700 0.036 0.000 1.028 39 T CA 0.673 62.783 62.100 0.016 0.000 1.059 39 T CB 1.384 70.213 68.868 -0.066 0.000 0.991 39 T HN 1.246 nan 8.240 nan 0.000 0.531 40 S N 1.384 117.118 115.700 0.058 0.000 2.335 40 S HA -0.031 4.427 4.470 -0.019 0.000 0.216 40 S C 0.963 175.592 174.600 0.048 0.000 1.032 40 S CA 0.475 58.716 58.200 0.069 0.000 1.000 40 S CB -0.445 62.802 63.200 0.079 0.000 0.928 40 S HN 1.042 nan 8.310 nan 0.000 0.434 41 R N 0.272 120.800 120.500 0.047 0.000 3.599 41 R HA 0.210 4.538 4.340 -0.019 0.000 0.310 41 R C -1.942 174.406 176.300 0.080 0.000 1.004 41 R CA -0.282 55.841 56.100 0.039 0.000 1.105 41 R CB -0.092 30.234 30.300 0.043 0.000 1.350 41 R HN 0.403 nan 8.270 nan 0.000 0.412 42 L N 3.925 125.186 121.223 0.063 0.000 2.417 42 L HA 0.474 4.803 4.340 -0.019 0.000 0.268 42 L C -0.267 176.761 176.870 0.264 0.000 1.158 42 L CA -0.703 54.239 54.840 0.170 0.000 0.819 42 L CB 0.698 42.698 42.059 -0.098 0.000 1.112 42 L HN 0.411 nan 8.230 nan 0.000 0.458 43 L N 2.481 123.942 121.223 0.397 0.000 2.431 43 L HA 0.775 5.103 4.340 -0.019 0.000 0.266 43 L C -0.782 176.330 176.870 0.403 0.000 0.978 43 L CA -0.249 54.787 54.840 0.328 0.000 0.822 43 L CB 1.929 44.102 42.059 0.191 0.000 1.310 43 L HN 0.693 nan 8.230 nan 0.000 0.409 44 A N 4.105 127.141 122.820 0.360 0.000 2.375 44 A HA 0.843 5.152 4.320 -0.019 0.000 0.295 44 A C -1.703 175.990 177.584 0.182 0.000 1.066 44 A CA -0.494 51.714 52.037 0.285 0.000 0.722 44 A CB 1.524 20.772 19.000 0.414 0.000 1.206 44 A HN 0.421 nan 8.150 nan 0.000 0.435 45 V N 1.618 121.600 119.914 0.112 0.000 2.638 45 V HA 0.934 5.042 4.120 -0.019 0.000 0.306 45 V C 0.541 176.675 176.094 0.066 0.000 1.052 45 V CA 0.289 62.637 62.300 0.079 0.000 0.885 45 V CB 1.454 33.303 31.823 0.043 0.000 0.999 45 V HN 1.571 nan 8.190 nan 0.000 0.424 46 G N 1.593 110.436 108.800 0.071 0.000 2.561 46 G HA2 0.389 4.338 3.960 -0.019 0.000 0.310 46 G HA3 0.389 4.338 3.960 -0.019 0.000 0.310 46 G C -1.768 173.160 174.900 0.047 0.000 1.292 46 G CA -0.605 44.533 45.100 0.064 0.000 0.811 46 G HN 0.721 nan 8.290 nan 0.000 0.482 47 H N 1.683 120.712 119.070 -0.069 0.000 2.502 47 H HA 0.385 4.930 4.556 -0.019 0.000 0.327 47 H C -1.427 173.757 175.328 -0.240 0.000 1.099 47 H CA -1.714 54.221 56.048 -0.189 0.000 1.323 47 H CB 2.548 32.155 29.762 -0.258 0.000 1.450 47 H HN 0.166 nan 8.280 nan 0.000 0.502 48 P HA -0.142 nan 4.420 nan 0.000 0.218 48 P C 0.639 177.902 177.300 -0.063 0.000 1.149 48 P CA 1.489 64.381 63.100 -0.347 0.000 0.817 48 P CB 0.188 31.501 31.700 -0.646 0.000 0.785 49 Y N -1.026 119.280 120.300 0.011 0.000 2.500 49 Y HA 0.218 4.758 4.550 -0.018 0.000 0.284 49 Y C 1.154 177.026 175.900 -0.047 0.000 1.118 49 Y CA -0.759 57.302 58.100 -0.065 0.000 1.241 49 Y CB 0.206 38.622 38.460 -0.073 0.000 1.171 49 Y HN -0.118 nan 8.280 nan 0.000 0.540 50 F N -1.920 118.138 119.950 0.181 0.000 2.713 50 F HA 0.632 5.147 4.527 -0.019 0.000 0.311 50 F C -3.431 172.317 175.800 -0.086 0.000 1.141 50 F CA -3.632 54.365 58.000 -0.005 0.000 0.939 50 F CB 0.511 39.470 39.000 -0.068 0.000 1.325 50 F HN -0.387 nan 8.300 nan 0.000 0.453 51 P HA 0.349 nan 4.420 nan 0.000 0.279 51 P C -0.805 176.597 177.300 0.170 0.000 1.239 51 P CA 0.050 63.234 63.100 0.140 0.000 0.789 51 P CB 1.845 33.600 31.700 0.092 0.000 0.933 52 I N 4.156 124.799 120.570 0.122 0.000 2.325 52 I HA 0.257 4.415 4.170 -0.019 0.000 0.291 52 I C 1.075 177.233 176.117 0.070 0.000 1.019 52 I CA 0.340 61.709 61.300 0.115 0.000 1.302 52 I CB 0.417 38.492 38.000 0.124 0.000 1.401 52 I HN 0.400 nan 8.210 nan 0.000 0.485 53 K N 4.455 124.883 120.400 0.048 0.000 2.439 53 K HA 0.593 4.902 4.320 -0.019 0.000 0.260 53 K C -0.875 175.736 176.600 0.018 0.000 1.032 53 K CA -1.268 55.035 56.287 0.027 0.000 0.882 53 K CB 1.258 33.768 32.500 0.016 0.000 1.420 53 K HN 0.115 nan 8.250 nan 0.000 0.455 54 K N 1.917 122.323 120.400 0.011 0.000 2.339 54 K HA 0.114 4.423 4.320 -0.019 0.000 0.286 54 K C -1.635 174.964 176.600 -0.002 0.000 1.050 54 K CA -2.014 54.277 56.287 0.007 0.000 0.956 54 K CB 0.780 33.284 32.500 0.006 0.000 0.990 54 K HN 0.355 nan 8.250 nan 0.000 0.475 55 P HA -0.246 nan 4.420 nan 0.000 0.213 55 P C 0.391 177.682 177.300 -0.014 0.000 1.170 55 P CA 1.968 65.059 63.100 -0.015 0.000 0.902 55 P CB -0.080 31.610 31.700 -0.015 0.000 0.789 56 N N -1.091 117.603 118.700 -0.010 0.000 2.309 56 N HA -0.110 4.618 4.740 -0.019 0.000 0.182 56 N C 1.281 176.786 175.510 -0.008 0.000 1.018 56 N CA 0.705 53.749 53.050 -0.009 0.000 0.876 56 N CB -0.694 37.789 38.487 -0.006 0.000 0.972 56 N HN 0.093 nan 8.380 nan 0.000 0.434 57 N N 0.102 118.798 118.700 -0.007 0.000 2.593 57 N HA 0.152 4.880 4.740 -0.019 0.000 0.304 57 N C -0.077 175.429 175.510 -0.008 0.000 1.296 57 N CA -0.030 53.016 53.050 -0.006 0.000 0.950 57 N CB 0.510 38.995 38.487 -0.003 0.000 1.127 57 N HN 0.443 nan 8.380 nan 0.000 0.587 58 N N -1.189 117.507 118.700 -0.006 0.000 1.986 58 N HA 0.021 4.750 4.740 -0.019 0.000 0.227 58 N C -0.976 174.531 175.510 -0.004 0.000 1.387 58 N CA -0.072 52.974 53.050 -0.007 0.000 0.810 58 N CB 0.661 39.142 38.487 -0.010 0.000 1.140 58 N HN 0.293 nan 8.380 nan 0.000 0.504 59 K N 1.401 121.799 120.400 -0.003 0.000 2.355 59 K HA 0.250 4.558 4.320 -0.019 0.000 0.270 59 K C -0.088 176.514 176.600 0.003 0.000 1.003 59 K CA -0.326 55.959 56.287 -0.002 0.000 0.957 59 K CB 0.986 33.485 32.500 -0.001 0.000 0.939 59 K HN 0.056 nan 8.250 nan 0.000 0.482 60 I N 2.469 123.041 120.570 0.003 0.000 2.379 60 I HA 0.001 4.159 4.170 -0.019 0.000 0.290 60 I C 0.892 177.017 176.117 0.012 0.000 1.063 60 I CA -0.110 61.197 61.300 0.011 0.000 1.351 60 I CB 0.255 38.260 38.000 0.008 0.000 1.410 60 I HN 0.509 nan 8.210 nan 0.000 0.505 61 L N 6.768 128.004 121.223 0.022 0.000 2.168 61 L HA 0.315 4.644 4.340 -0.019 0.000 0.203 61 L C 0.465 177.351 176.870 0.026 0.000 1.078 61 L CA 1.331 56.184 54.840 0.023 0.000 0.780 61 L CB 0.424 42.501 42.059 0.030 0.000 0.939 61 L HN 0.460 nan 8.230 nan 0.000 0.451 62 V N 1.414 121.351 119.914 0.040 0.000 2.623 62 V HA 0.435 4.544 4.120 -0.019 0.000 0.304 62 V C -2.466 173.659 176.094 0.051 0.000 1.054 62 V CA -1.317 61.011 62.300 0.046 0.000 0.882 62 V CB 1.708 33.571 31.823 0.067 0.000 1.002 62 V HN 0.046 nan 8.190 nan 0.000 0.424 63 P HA 0.253 nan 4.420 nan 0.000 0.278 63 P C -1.052 176.284 177.300 0.060 0.000 1.258 63 P CA -0.716 62.407 63.100 0.038 0.000 0.811 63 P CB 1.366 33.072 31.700 0.009 0.000 1.063 64 K N 1.344 121.781 120.400 0.062 0.000 2.316 64 K HA 0.305 4.614 4.320 -0.019 0.000 0.289 64 K C -1.216 175.424 176.600 0.067 0.000 1.070 64 K CA -0.350 55.980 56.287 0.072 0.000 0.928 64 K CB 0.062 32.614 32.500 0.086 0.000 1.039 64 K HN 0.220 nan 8.250 nan 0.000 0.480 65 V N 3.534 123.488 119.914 0.066 0.000 2.380 65 V HA 0.226 4.335 4.120 -0.019 0.000 0.286 65 V C -0.424 175.677 176.094 0.012 0.000 1.015 65 V CA -0.739 61.617 62.300 0.093 0.000 0.834 65 V CB 1.203 33.118 31.823 0.154 0.000 1.009 65 V HN 0.806 nan 8.190 nan 0.000 0.428 66 S N 3.255 118.928 115.700 -0.045 0.000 2.568 66 S HA 0.660 5.119 4.470 -0.019 0.000 0.293 66 S C 1.156 175.639 174.600 -0.195 0.000 1.089 66 S CA 0.192 58.240 58.200 -0.254 0.000 0.945 66 S CB 2.060 65.219 63.200 -0.068 0.000 1.077 66 S HN 0.917 nan 8.310 nan 0.000 0.485 67 G N 1.699 110.290 108.800 -0.348 0.000 2.679 67 G HA2 0.077 4.025 3.960 -0.019 0.000 0.212 67 G HA3 0.077 4.025 3.960 -0.019 0.000 0.212 67 G C 0.721 175.641 174.900 0.033 0.000 1.137 67 G CA 0.277 45.360 45.100 -0.029 0.000 0.787 67 G HN 0.646 nan 8.290 nan 0.000 0.534 68 L N 0.037 121.276 121.223 0.028 0.000 2.653 68 L HA 0.264 4.593 4.340 -0.019 0.000 0.231 68 L C 1.018 177.900 176.870 0.020 0.000 1.153 68 L CA 0.021 54.895 54.840 0.056 0.000 0.933 68 L CB 0.149 42.295 42.059 0.146 0.000 1.175 68 L HN 0.222 nan 8.230 nan 0.000 0.473 69 Q N -1.409 118.413 119.800 0.038 0.000 2.215 69 Q HA 0.359 4.688 4.340 -0.019 0.000 0.256 69 Q C -1.190 174.840 176.000 0.049 0.000 0.972 69 Q CA -0.831 55.016 55.803 0.072 0.000 0.889 69 Q CB 1.184 29.986 28.738 0.108 0.000 1.281 69 Q HN 0.001 nan 8.270 nan 0.000 0.456 70 Y N 0.356 120.685 120.300 0.048 0.000 2.301 70 Y HA 0.239 4.778 4.550 -0.019 0.000 0.325 70 Y C 0.318 176.207 175.900 -0.019 0.000 1.203 70 Y CA -0.197 57.919 58.100 0.026 0.000 1.255 70 Y CB 0.924 39.388 38.460 0.006 0.000 1.232 70 Y HN 0.212 nan 8.280 nan 0.000 0.501 71 R N 2.350 122.892 120.500 0.070 0.000 2.371 71 R HA 0.420 4.748 4.340 -0.019 0.000 0.312 71 R C -1.783 174.262 176.300 -0.425 0.000 0.980 71 R CA -0.680 55.258 56.100 -0.271 0.000 0.867 71 R CB 1.227 31.242 30.300 -0.474 0.000 1.163 71 R HN 0.415 nan 8.270 nan 0.000 0.492 72 V N 5.437 125.161 119.914 -0.316 0.000 2.334 72 V HA 0.417 4.525 4.120 -0.019 0.000 0.281 72 V C -0.284 175.696 176.094 -0.189 0.000 1.016 72 V CA -0.668 61.560 62.300 -0.120 0.000 0.832 72 V CB 0.801 32.738 31.823 0.190 0.000 0.999 72 V HN 0.447 nan 8.190 nan 0.000 0.439 73 F N 3.893 123.899 119.950 0.093 0.000 2.410 73 F HA 0.531 5.047 4.527 -0.019 0.000 0.349 73 F C 0.888 176.527 175.800 -0.268 0.000 1.117 73 F CA -0.543 57.438 58.000 -0.032 0.000 1.104 73 F CB 0.995 39.915 39.000 -0.133 0.000 1.122 73 F HN 0.238 nan 8.300 nan 0.000 0.483 74 R N 4.942 125.311 120.500 -0.218 0.000 2.287 74 R HA 0.307 4.635 4.340 -0.019 0.000 0.327 74 R C -0.880 175.015 176.300 -0.675 0.000 1.109 74 R CA -0.484 55.127 56.100 -0.816 0.000 1.013 74 R CB 0.171 30.089 30.300 -0.637 0.000 1.126 74 R HN 0.520 nan 8.270 nan 0.000 0.503 75 I N 5.280 125.448 120.570 -0.670 0.000 2.352 75 I HA 0.158 4.317 4.170 -0.019 0.000 0.290 75 I C 0.576 176.330 176.117 -0.606 0.000 1.036 75 I CA -0.416 60.578 61.300 -0.509 0.000 1.336 75 I CB 0.481 38.220 38.000 -0.434 0.000 1.407 75 I HN 0.241 nan 8.210 nan 0.000 0.497 76 H N 7.049 126.012 119.070 -0.177 0.000 2.552 76 H HA 0.511 5.055 4.556 -0.019 0.000 0.311 76 H C -0.183 175.031 175.328 -0.190 0.000 1.071 76 H CA -0.474 55.483 56.048 -0.151 0.000 1.307 76 H CB 1.844 31.554 29.762 -0.086 0.000 1.416 76 H HN 0.419 nan 8.280 nan 0.000 0.464 77 L N 5.252 126.396 121.223 -0.132 0.000 2.331 77 L HA 0.375 4.703 4.340 -0.019 0.000 0.275 77 L C -2.085 174.618 176.870 -0.278 0.000 1.022 77 L CA -2.184 52.457 54.840 -0.332 0.000 0.812 77 L CB 1.914 43.698 42.059 -0.460 0.000 1.257 77 L HN 0.364 nan 8.230 nan 0.000 0.435 78 P HA -0.028 nan 4.420 nan 0.000 0.271 78 P C -0.873 176.380 177.300 -0.080 0.000 1.216 78 P CA -0.229 62.714 63.100 -0.261 0.000 0.771 78 P CB 0.793 32.273 31.700 -0.366 0.000 0.864 79 D N 5.215 125.626 120.400 0.017 0.000 2.412 79 D HA -0.018 4.611 4.640 -0.019 0.000 0.257 79 D C -0.977 175.339 176.300 0.025 0.000 1.217 79 D CA -1.744 52.291 54.000 0.059 0.000 0.897 79 D CB 0.628 41.486 40.800 0.096 0.000 1.132 79 D HN 0.244 nan 8.370 nan 0.000 0.493 80 P HA -0.142 nan 4.420 nan 0.000 0.222 80 P C 0.716 178.055 177.300 0.066 0.000 1.147 80 P CA 0.742 63.681 63.100 -0.268 0.000 0.790 80 P CB 0.490 31.645 31.700 -0.908 0.000 0.780 81 N N 0.322 119.043 118.700 0.034 0.000 2.250 81 N HA -0.080 4.649 4.740 -0.019 0.000 0.181 81 N C 1.668 177.266 175.510 0.147 0.000 1.017 81 N CA 1.068 54.166 53.050 0.080 0.000 0.866 81 N CB -0.205 38.304 38.487 0.037 0.000 0.985 81 N HN 0.140 nan 8.380 nan 0.000 0.429 82 K N -0.014 120.468 120.400 0.135 0.000 2.305 82 K HA 0.121 4.430 4.320 -0.019 0.000 0.199 82 K C 0.288 176.959 176.600 0.120 0.000 1.047 82 K CA -0.258 56.096 56.287 0.112 0.000 0.976 82 K CB -0.211 32.340 32.500 0.087 0.000 0.765 82 K HN -0.032 nan 8.250 nan 0.000 0.474 83 F N 0.422 120.341 119.950 -0.052 0.000 2.628 83 F HA 0.160 4.676 4.527 -0.019 0.000 0.346 83 F C 1.061 176.773 175.800 -0.147 0.000 1.188 83 F CA 0.374 58.255 58.000 -0.198 0.000 1.376 83 F CB 0.482 39.219 39.000 -0.439 0.000 1.104 83 F HN 0.059 nan 8.300 nan 0.000 0.616 84 G N 5.207 113.511 108.800 -0.826 0.000 3.102 84 G HA2 0.421 4.370 3.960 -0.019 0.000 0.345 84 G HA3 0.421 4.370 3.960 -0.019 0.000 0.345 84 G C -1.236 173.424 174.900 -0.401 0.000 1.200 84 G CA -0.416 44.426 45.100 -0.431 0.000 1.163 84 G HN 0.383 nan 8.290 nan 0.000 0.465 85 F N 2.215 122.201 119.950 0.060 0.000 2.418 85 F HA 0.288 4.803 4.527 -0.019 0.000 0.341 85 F C -0.037 175.871 175.800 0.181 0.000 1.120 85 F CA -1.930 56.213 58.000 0.238 0.000 1.232 85 F CB 1.262 40.530 39.000 0.447 0.000 1.175 85 F HN 0.280 nan 8.300 nan 0.000 0.569 86 P HA -0.146 nan 4.420 nan 0.000 0.217 86 P C -0.269 177.183 177.300 0.253 0.000 1.150 86 P CA 1.277 64.529 63.100 0.253 0.000 0.832 86 P CB 0.194 32.035 31.700 0.235 0.000 0.787 87 D N -1.029 119.577 120.400 0.343 0.000 2.498 87 D HA 0.314 4.943 4.640 -0.019 0.000 0.247 87 D C 0.146 176.646 176.300 0.333 0.000 1.070 87 D CA -0.480 53.691 54.000 0.284 0.000 0.842 87 D CB 1.320 42.285 40.800 0.275 0.000 1.361 87 D HN -0.135 nan 8.370 nan 0.000 0.484 88 T N -1.010 113.603 114.554 0.099 0.000 3.275 88 T HA 0.110 4.449 4.350 -0.019 0.000 0.298 88 T C 1.324 175.787 174.700 -0.395 0.000 0.988 88 T CA 0.178 62.161 62.100 -0.195 0.000 0.936 88 T CB -0.185 68.639 68.868 -0.073 0.000 1.159 88 T HN 0.252 nan 8.240 nan 0.000 0.519 89 S N 1.860 117.454 115.700 -0.177 0.000 2.436 89 S HA -0.045 4.413 4.470 -0.019 0.000 0.228 89 S C 1.767 176.284 174.600 -0.137 0.000 1.014 89 S CA 0.290 58.405 58.200 -0.141 0.000 0.950 89 S CB -1.167 62.024 63.200 -0.015 0.000 0.784 89 S HN 0.638 nan 8.310 nan 0.000 0.504 90 F N 1.886 121.858 119.950 0.037 0.000 2.529 90 F HA 0.204 4.719 4.527 -0.019 0.000 0.297 90 F C 0.535 176.395 175.800 0.101 0.000 1.114 90 F CA -0.588 57.434 58.000 0.036 0.000 1.467 90 F CB -1.366 37.626 39.000 -0.014 0.000 1.096 90 F HN 0.487 nan 8.300 nan 0.000 0.586 91 Y N -1.455 118.535 120.300 -0.516 0.000 2.656 91 Y HA 0.450 4.988 4.550 -0.019 0.000 0.334 91 Y C -1.504 174.207 175.900 -0.315 0.000 1.179 91 Y CA -1.857 56.048 58.100 -0.326 0.000 1.050 91 Y CB 0.670 38.960 38.460 -0.284 0.000 1.308 91 Y HN -0.141 nan 8.280 nan 0.000 0.456 92 N N 4.075 122.492 118.700 -0.471 0.000 2.546 92 N HA 0.312 5.040 4.740 -0.019 0.000 0.238 92 N C -2.204 172.936 175.510 -0.617 0.000 0.984 92 N CA -2.598 50.139 53.050 -0.523 0.000 0.935 92 N CB 1.568 39.914 38.487 -0.234 0.000 1.122 92 N HN 0.577 nan 8.380 nan 0.000 0.510 93 P HA -0.013 nan 4.420 nan 0.000 0.242 93 P C -0.340 176.829 177.300 -0.218 0.000 1.198 93 P CA 0.762 63.560 63.100 -0.502 0.000 0.756 93 P CB 0.645 32.068 31.700 -0.463 0.000 0.911 94 D N -0.806 119.473 120.400 -0.201 0.000 2.490 94 D HA -0.052 4.577 4.640 -0.019 0.000 0.244 94 D C 1.988 178.238 176.300 -0.084 0.000 0.979 94 D CA 1.472 55.401 54.000 -0.119 0.000 0.924 94 D CB -0.695 40.038 40.800 -0.111 0.000 1.075 94 D HN 0.163 nan 8.370 nan 0.000 0.488 95 T N -1.326 113.176 114.554 -0.087 0.000 3.035 95 T HA 0.043 4.381 4.350 -0.019 0.000 0.259 95 T C 1.006 175.684 174.700 -0.037 0.000 1.078 95 T CA 0.177 62.247 62.100 -0.050 0.000 1.132 95 T CB 0.003 68.847 68.868 -0.042 0.000 0.900 95 T HN 0.206 nan 8.240 nan 0.000 0.480 96 Q N -0.279 119.497 119.800 -0.039 0.000 2.873 96 Q HA 0.725 5.054 4.340 -0.019 0.000 0.297 96 Q C -1.036 174.910 176.000 -0.090 0.000 1.064 96 Q CA -1.370 54.415 55.803 -0.029 0.000 0.816 96 Q CB 1.750 30.516 28.738 0.048 0.000 1.481 96 Q HN -0.071 nan 8.270 nan 0.000 0.488 97 R N -0.180 120.161 120.500 -0.265 0.000 2.855 97 R HA 0.634 4.963 4.340 -0.019 0.000 0.266 97 R C -0.995 174.997 176.300 -0.513 0.000 1.034 97 R CA -0.822 54.923 56.100 -0.591 0.000 0.944 97 R CB 1.606 30.993 30.300 -1.520 0.000 1.219 97 R HN 0.647 nan 8.270 nan 0.000 0.474 98 L N 1.032 121.936 121.223 -0.531 0.000 2.346 98 L HA 0.733 5.062 4.340 -0.019 0.000 0.274 98 L C -0.547 176.199 176.870 -0.206 0.000 1.007 98 L CA -1.132 53.455 54.840 -0.423 0.000 0.818 98 L CB 2.113 43.834 42.059 -0.562 0.000 1.284 98 L HN 0.176 nan 8.230 nan 0.000 0.424 99 V N -0.153 119.631 119.914 -0.217 0.000 2.888 99 V HA 0.376 4.484 4.120 -0.019 0.000 0.309 99 V C -1.194 174.767 176.094 -0.222 0.000 1.114 99 V CA -0.870 61.365 62.300 -0.108 0.000 0.940 99 V CB 2.088 33.910 31.823 -0.001 0.000 1.021 99 V HN 0.652 nan 8.190 nan 0.000 0.426 100 W N 1.765 123.007 121.300 -0.096 0.000 2.315 100 W HA 0.703 5.351 4.660 -0.019 0.000 0.316 100 W C 0.267 176.755 176.519 -0.052 0.000 1.211 100 W CA -0.311 56.980 57.345 -0.089 0.000 1.201 100 W CB 1.493 30.839 29.460 -0.190 0.000 1.184 100 W HN 0.737 nan 8.180 nan 0.000 0.544 101 A N 3.171 126.191 122.820 0.334 0.000 2.318 101 A HA 0.479 4.788 4.320 -0.019 0.000 0.317 101 A C -1.061 176.665 177.584 0.238 0.000 1.159 101 A CA -0.672 51.448 52.037 0.139 0.000 0.799 101 A CB 0.779 19.774 19.000 -0.008 0.000 1.194 101 A HN 0.751 nan 8.150 nan 0.000 0.479 102 C N 3.225 122.608 119.300 0.139 0.000 2.566 102 C HA 0.476 4.924 4.460 -0.019 0.000 0.393 102 C C 1.097 176.033 174.990 -0.089 0.000 1.309 102 C CA 0.090 59.089 59.018 -0.032 0.000 1.801 102 C CB -0.869 26.924 27.740 0.090 0.000 2.493 102 C HN 0.680 nan 8.230 nan 0.000 0.575 103 V N 5.253 125.085 119.914 -0.138 0.000 3.612 103 V HA 0.403 4.512 4.120 -0.019 0.000 0.268 103 V C 1.167 177.299 176.094 0.063 0.000 1.365 103 V CA 0.756 63.047 62.300 -0.015 0.000 1.044 103 V CB -0.001 31.851 31.823 0.048 0.000 0.820 103 V HN 1.033 nan 8.190 nan 0.000 0.444 104 G N -0.236 108.512 108.800 -0.086 0.000 2.753 104 G HA2 0.611 4.560 3.960 -0.019 0.000 0.297 104 G HA3 0.611 4.560 3.960 -0.019 0.000 0.297 104 G C -1.895 172.814 174.900 -0.319 0.000 1.430 104 G CA -0.294 44.789 45.100 -0.029 0.000 1.040 104 G HN -0.104 nan 8.290 nan 0.000 0.530 105 V N 1.240 120.883 119.914 -0.452 0.000 2.841 105 V HA 0.661 4.770 4.120 -0.019 0.000 0.310 105 V C -0.833 174.797 176.094 -0.773 0.000 1.090 105 V CA -0.827 61.115 62.300 -0.596 0.000 0.930 105 V CB 2.269 33.907 31.823 -0.308 0.000 1.014 105 V HN 0.745 nan 8.190 nan 0.000 0.425 106 E N 2.395 122.127 120.200 -0.780 0.000 2.316 106 E HA 0.364 4.703 4.350 -0.019 0.000 0.254 106 E C -1.583 174.704 176.600 -0.522 0.000 0.902 106 E CA -0.317 55.673 56.400 -0.684 0.000 0.801 106 E CB 2.281 31.680 29.700 -0.500 0.000 1.270 106 E HN 0.446 nan 8.360 nan 0.000 0.414 107 V N 3.352 123.038 119.914 -0.380 0.000 2.322 107 V HA 0.270 4.379 4.120 -0.019 0.000 0.258 107 V C 0.809 176.843 176.094 -0.099 0.000 1.074 107 V CA -0.407 61.810 62.300 -0.138 0.000 0.909 107 V CB 0.796 32.728 31.823 0.181 0.000 1.090 107 V HN 0.617 nan 8.190 nan 0.000 0.486 108 G N 5.496 114.198 108.800 -0.163 0.000 2.403 108 G HA2 0.491 4.440 3.960 -0.019 0.000 0.259 108 G HA3 0.491 4.440 3.960 -0.019 0.000 0.259 108 G C -0.163 174.614 174.900 -0.205 0.000 1.244 108 G CA -0.513 44.502 45.100 -0.142 0.000 0.849 108 G HN 0.474 nan 8.290 nan 0.000 0.532 109 R N 1.028 121.406 120.500 -0.203 0.000 2.740 109 R HA 0.548 4.877 4.340 -0.019 0.000 0.282 109 R C 0.579 176.762 176.300 -0.195 0.000 0.969 109 R CA -0.576 55.329 56.100 -0.326 0.000 0.918 109 R CB 2.108 32.213 30.300 -0.325 0.000 1.175 109 R HN 0.607 nan 8.270 nan 0.000 0.464 110 G N 0.593 109.272 108.800 -0.202 0.000 3.342 110 G HA2 0.014 3.963 3.960 -0.019 0.000 0.252 110 G HA3 0.014 3.963 3.960 -0.019 0.000 0.252 110 G C 0.092 174.938 174.900 -0.091 0.000 1.011 110 G CA -0.009 45.021 45.100 -0.117 0.000 0.869 110 G HN 0.218 nan 8.290 nan 0.000 0.514 111 Q N 0.757 120.494 119.800 -0.104 0.000 2.185 111 Q HA 0.358 4.686 4.340 -0.019 0.000 0.225 111 Q C -2.307 173.660 176.000 -0.055 0.000 0.983 111 Q CA -1.666 54.090 55.803 -0.079 0.000 0.950 111 Q CB 1.454 30.132 28.738 -0.100 0.000 1.176 111 Q HN 0.129 nan 8.270 nan 0.000 0.510 112 P HA 0.123 nan 4.420 nan 0.000 0.274 112 P C -0.475 176.818 177.300 -0.011 0.000 1.237 112 P CA -0.468 62.618 63.100 -0.023 0.000 0.793 112 P CB 0.590 32.277 31.700 -0.020 0.000 0.977 113 L N 1.239 122.465 121.223 0.005 0.000 2.456 113 L HA 0.528 4.857 4.340 -0.019 0.000 0.272 113 L C 1.223 178.109 176.870 0.026 0.000 1.189 113 L CA 1.393 56.247 54.840 0.023 0.000 0.846 113 L CB -0.270 41.809 42.059 0.032 0.000 1.111 113 L HN 0.785 nan 8.230 nan 0.000 0.475 114 G N 1.687 110.512 108.800 0.041 0.000 2.489 114 G HA2 0.513 4.461 3.960 -0.019 0.000 0.291 114 G HA3 0.513 4.461 3.960 -0.019 0.000 0.291 114 G C -2.127 172.811 174.900 0.063 0.000 1.487 114 G CA -0.644 44.482 45.100 0.044 0.000 0.795 114 G HN 0.356 nan 8.290 nan 0.000 0.513 115 V N 0.646 120.596 119.914 0.060 0.000 2.513 115 V HA 0.787 4.895 4.120 -0.019 0.000 0.299 115 V C 1.223 177.355 176.094 0.063 0.000 1.035 115 V CA 0.303 62.644 62.300 0.068 0.000 0.889 115 V CB 1.169 33.029 31.823 0.061 0.000 0.988 115 V HN 1.215 nan 8.190 nan 0.000 0.440 116 G N 2.920 111.763 108.800 0.071 0.000 2.624 116 G HA2 0.677 4.626 3.960 -0.019 0.000 0.217 116 G HA3 0.677 4.626 3.960 -0.019 0.000 0.217 116 G C -0.538 174.373 174.900 0.018 0.000 1.506 116 G CA -0.279 44.856 45.100 0.058 0.000 1.072 116 G HN 0.804 nan 8.290 nan 0.000 0.568 117 I N -1.832 118.736 120.570 -0.005 0.000 2.661 117 I HA 0.344 4.502 4.170 -0.019 0.000 0.290 117 I C -1.532 174.548 176.117 -0.062 0.000 1.734 117 I CA -0.370 60.890 61.300 -0.066 0.000 1.018 117 I CB 1.328 39.327 38.000 -0.002 0.000 1.532 117 I HN 0.510 nan 8.210 nan 0.000 0.488 118 S N 4.096 119.606 115.700 -0.318 0.000 2.549 118 S HA 0.983 5.441 4.470 -0.019 0.000 0.280 118 S C -0.276 174.099 174.600 -0.374 0.000 1.109 118 S CA -0.208 57.719 58.200 -0.454 0.000 0.905 118 S CB 2.011 64.819 63.200 -0.653 0.000 1.081 118 S HN 0.997 nan 8.310 nan 0.000 0.477 119 G N 0.653 109.215 108.800 -0.396 0.000 2.870 119 G HA2 0.648 4.596 3.960 -0.019 0.000 0.299 119 G HA3 0.648 4.596 3.960 -0.019 0.000 0.299 119 G C -2.044 172.777 174.900 -0.131 0.000 1.324 119 G CA -0.355 44.648 45.100 -0.161 0.000 0.808 119 G HN 0.631 nan 8.290 nan 0.000 0.535 120 H N -0.472 118.537 119.070 -0.102 0.000 3.026 120 H HA 0.406 4.951 4.556 -0.018 0.000 0.352 120 H C -2.252 173.055 175.328 -0.035 0.000 1.090 120 H CA -1.537 54.465 56.048 -0.076 0.000 1.268 120 H CB 2.863 32.572 29.762 -0.088 0.000 1.816 120 H HN 0.115 nan 8.280 nan 0.000 0.518 121 P HA 0.022 nan 4.420 nan 0.000 0.222 121 P C 0.262 177.658 177.300 0.161 0.000 1.147 121 P CA 1.010 64.226 63.100 0.194 0.000 0.790 121 P CB 0.457 32.237 31.700 0.133 0.000 0.780 122 L N -1.248 120.101 121.223 0.209 0.000 2.783 122 L HA 0.281 4.609 4.340 -0.019 0.000 0.265 122 L C -0.227 176.373 176.870 -0.450 0.000 1.398 122 L CA -0.796 53.971 54.840 -0.122 0.000 0.802 122 L CB 0.567 42.580 42.059 -0.076 0.000 1.126 122 L HN -0.094 nan 8.230 nan 0.000 0.529 123 L N 1.051 122.097 121.223 -0.295 0.000 2.416 123 L HA 0.200 4.529 4.340 -0.019 0.000 0.272 123 L C 0.777 177.533 176.870 -0.189 0.000 1.161 123 L CA 0.316 54.989 54.840 -0.279 0.000 0.845 123 L CB 0.569 42.594 42.059 -0.056 0.000 1.119 123 L HN 0.231 nan 8.230 nan 0.000 0.464 124 N N 4.836 123.409 118.700 -0.212 0.000 2.549 124 N HA 0.070 4.798 4.740 -0.019 0.000 0.267 124 N C -1.070 174.426 175.510 -0.023 0.000 1.182 124 N CA 0.234 53.198 53.050 -0.143 0.000 1.019 124 N CB -0.198 38.183 38.487 -0.177 0.000 1.380 124 N HN 0.441 nan 8.380 nan 0.000 0.505 125 K N 4.699 125.108 120.400 0.015 0.000 2.604 125 K HA 0.119 4.427 4.320 -0.019 0.000 0.247 125 K C -0.033 176.528 176.600 -0.065 0.000 0.956 125 K CA -0.565 55.768 56.287 0.076 0.000 0.896 125 K CB 0.986 33.429 32.500 -0.095 0.000 1.131 125 K HN 0.297 nan 8.250 nan 0.000 0.440 126 L N 3.865 125.083 121.223 -0.009 0.000 1.913 126 L HA 0.056 4.384 4.340 -0.019 0.000 0.215 126 L C -0.071 176.731 176.870 -0.113 0.000 1.117 126 L CA 1.822 56.629 54.840 -0.055 0.000 0.798 126 L CB -0.183 41.860 42.059 -0.026 0.000 0.893 126 L HN 0.787 nan 8.230 nan 0.000 0.440 127 D N -1.924 118.425 120.400 -0.085 0.000 2.414 127 D HA 0.248 4.877 4.640 -0.019 0.000 0.241 127 D C -1.202 175.070 176.300 -0.047 0.000 1.008 127 D CA -0.697 53.244 54.000 -0.098 0.000 1.001 127 D CB 0.351 41.107 40.800 -0.074 0.000 1.277 127 D HN 0.091 nan 8.370 nan 0.000 0.538 128 D N -0.223 120.171 120.400 -0.011 0.000 2.338 128 D HA 0.097 4.726 4.640 -0.019 0.000 0.255 128 D C 0.506 176.888 176.300 0.136 0.000 1.237 128 D CA -0.014 54.082 54.000 0.160 0.000 0.883 128 D CB 0.886 41.761 40.800 0.126 0.000 1.087 128 D HN 0.479 nan 8.370 nan 0.000 0.485 129 T N 0.094 114.757 114.554 0.182 0.000 3.105 129 T HA 0.058 4.396 4.350 -0.019 0.000 0.253 129 T C 1.204 175.929 174.700 0.042 0.000 1.047 129 T CA -0.211 61.959 62.100 0.117 0.000 0.944 129 T CB 0.172 69.172 68.868 0.219 0.000 1.016 129 T HN 0.460 nan 8.240 nan 0.000 0.544 130 E N 1.576 121.806 120.200 0.049 0.000 2.208 130 E HA -0.056 4.283 4.350 -0.019 0.000 0.193 130 E C 0.147 176.753 176.600 0.010 0.000 0.988 130 E CA 0.378 56.781 56.400 0.004 0.000 0.828 130 E CB 0.213 29.929 29.700 0.027 0.000 0.763 130 E HN 0.492 nan 8.360 nan 0.000 0.478 131 N N -0.692 118.028 118.700 0.033 0.000 2.929 131 N HA 0.232 4.961 4.740 -0.019 0.000 0.245 131 N C -2.133 173.397 175.510 0.034 0.000 1.081 131 N CA 0.014 53.080 53.050 0.028 0.000 1.048 131 N CB 1.503 40.006 38.487 0.028 0.000 1.629 131 N HN 0.085 nan 8.380 nan 0.000 0.598 132 A N 1.708 124.546 122.820 0.031 0.000 2.393 132 A HA 0.596 4.905 4.320 -0.019 0.000 0.306 132 A C 0.684 178.290 177.584 0.038 0.000 1.050 132 A CA -0.103 51.951 52.037 0.028 0.000 0.724 132 A CB 0.959 19.967 19.000 0.013 0.000 1.248 132 A HN 0.751 nan 8.150 nan 0.000 0.424 133 S N 0.627 116.348 115.700 0.035 0.000 2.501 133 S HA 0.517 4.975 4.470 -0.019 0.000 0.220 133 S C 0.728 175.360 174.600 0.054 0.000 0.997 133 S CA 0.655 58.879 58.200 0.040 0.000 0.919 133 S CB 0.015 63.234 63.200 0.031 0.000 0.778 133 S HN 2.007 nan 8.310 nan 0.000 0.523 134 A N 0.126 122.984 122.820 0.062 0.000 2.594 134 A HA 0.617 4.926 4.320 -0.019 0.000 0.295 134 A C -1.478 176.180 177.584 0.124 0.000 1.071 134 A CA -0.807 51.286 52.037 0.093 0.000 0.685 134 A CB 0.345 19.387 19.000 0.071 0.000 1.285 134 A HN 0.180 nan 8.150 nan 0.000 0.405 135 Y N 1.632 121.943 120.300 0.018 0.000 2.620 135 Y HA 0.333 4.901 4.550 0.031 0.000 0.330 135 Y C 1.119 177.027 175.900 0.014 0.000 1.186 135 Y CA 1.006 59.117 58.100 0.018 0.000 1.467 135 Y CB 0.424 38.894 38.460 0.016 0.000 1.262 135 Y HN 0.970 nan 8.280 nan 0.000 0.550 136 A N 4.930 127.621 122.820 -0.216 0.000 2.507 136 A HA 0.411 4.720 4.320 -0.019 0.000 0.235 136 A C 0.986 178.541 177.584 -0.047 0.000 1.070 136 A CA 0.038 51.995 52.037 -0.132 0.000 0.768 136 A CB -0.387 18.498 19.000 -0.193 0.000 1.011 136 A HN 1.124 nan 8.150 nan 0.000 0.502 137 A N 1.802 124.611 122.820 -0.019 0.000 3.335 137 A HA 0.106 4.414 4.320 -0.019 0.000 0.166 137 A C 0.729 178.321 177.584 0.014 0.000 0.723 137 A CA 1.553 53.596 52.037 0.010 0.000 1.243 137 A CB -0.440 18.559 19.000 -0.003 0.000 0.875 137 A HN 0.958 nan 8.150 nan 0.000 0.508 138 N N -2.485 116.217 118.700 0.003 0.000 2.369 138 N HA 0.486 5.215 4.740 -0.019 0.000 0.287 138 N C -1.028 174.476 175.510 -0.010 0.000 1.067 138 N CA -0.147 52.906 53.050 0.005 0.000 0.888 138 N CB 1.777 40.276 38.487 0.019 0.000 1.616 138 N HN 0.812 nan 8.380 nan 0.000 0.482 139 A N 1.549 124.359 122.820 -0.016 0.000 2.545 139 A HA 0.357 4.665 4.320 -0.019 0.000 0.253 139 A C 0.960 178.534 177.584 -0.016 0.000 1.074 139 A CA 0.638 52.662 52.037 -0.022 0.000 0.760 139 A CB -0.189 18.795 19.000 -0.026 0.000 1.005 139 A HN 0.764 nan 8.150 nan 0.000 0.506 140 G N 0.975 109.764 108.800 -0.019 0.000 3.411 140 G HA2 0.455 4.404 3.960 -0.019 0.000 0.186 140 G HA3 0.455 4.404 3.960 -0.019 0.000 0.186 140 G C -0.266 174.623 174.900 -0.018 0.000 1.766 140 G CA 0.240 45.331 45.100 -0.015 0.000 0.971 140 G HN 0.960 nan 8.290 nan 0.000 0.590 141 V N 1.044 120.947 119.914 -0.019 0.000 2.409 141 V HA 0.427 4.535 4.120 -0.019 0.000 0.291 141 V C -0.641 175.437 176.094 -0.026 0.000 1.020 141 V CA -0.458 61.830 62.300 -0.021 0.000 0.848 141 V CB 1.227 33.040 31.823 -0.017 0.000 0.990 141 V HN 0.733 nan 8.190 nan 0.000 0.430 142 D N 3.849 124.229 120.400 -0.032 0.000 3.908 142 D HA -0.181 4.447 4.640 -0.019 0.000 0.237 142 D C 0.334 176.609 176.300 -0.041 0.000 1.091 142 D CA 0.656 54.633 54.000 -0.039 0.000 1.147 142 D CB -0.414 40.366 40.800 -0.034 0.000 0.857 142 D HN 0.858 nan 8.370 nan 0.000 0.410 143 N N 1.547 120.218 118.700 -0.048 0.000 2.214 143 N HA 0.096 4.825 4.740 -0.019 0.000 0.214 143 N C 0.092 175.562 175.510 -0.065 0.000 1.132 143 N CA -0.372 52.647 53.050 -0.052 0.000 0.856 143 N CB 0.445 38.901 38.487 -0.052 0.000 1.020 143 N HN 0.256 nan 8.380 nan 0.000 0.509 144 R N 1.276 121.734 120.500 -0.070 0.000 2.640 144 R HA 0.064 4.392 4.340 -0.019 0.000 0.270 144 R C -0.010 176.244 176.300 -0.076 0.000 1.024 144 R CA 0.453 56.502 56.100 -0.086 0.000 1.085 144 R CB 0.408 30.643 30.300 -0.107 0.000 0.963 144 R HN 0.175 nan 8.270 nan 0.000 0.426 145 E N 1.084 121.234 120.200 -0.083 0.000 2.277 145 E HA 0.118 4.456 4.350 -0.019 0.000 0.266 145 E C -0.863 175.717 176.600 -0.034 0.000 0.901 145 E CA -0.822 55.537 56.400 -0.068 0.000 0.782 145 E CB 2.194 31.829 29.700 -0.108 0.000 1.228 145 E HN 0.533 nan 8.360 nan 0.000 0.424 146 C N 4.177 123.472 119.300 -0.009 0.000 2.383 146 C HA 0.400 4.848 4.460 -0.019 0.000 0.350 146 C C -0.265 174.741 174.990 0.026 0.000 1.173 146 C CA -0.304 58.730 59.018 0.027 0.000 1.645 146 C CB -1.965 25.794 27.740 0.032 0.000 2.221 146 C HN 0.361 nan 8.230 nan 0.000 0.528 147 I N 6.275 126.873 120.570 0.048 0.000 2.608 147 I HA 0.473 4.632 4.170 -0.019 0.000 0.295 147 I C 0.306 176.471 176.117 0.080 0.000 1.049 147 I CA 0.095 61.437 61.300 0.070 0.000 1.063 147 I CB 2.239 40.301 38.000 0.103 0.000 1.248 147 I HN 0.754 nan 8.210 nan 0.000 0.424 148 S N 6.498 122.242 115.700 0.074 0.000 2.677 148 S HA 0.964 5.422 4.470 -0.019 0.000 0.304 148 S C -0.573 174.063 174.600 0.060 0.000 1.108 148 S CA -0.727 57.493 58.200 0.034 0.000 0.944 148 S CB 2.995 66.200 63.200 0.009 0.000 1.127 148 S HN 0.677 nan 8.310 nan 0.000 0.511 149 M N -0.183 119.410 119.600 -0.012 0.000 2.732 149 M HA 0.474 4.943 4.480 -0.019 0.000 0.272 149 M C -2.448 173.788 176.300 -0.107 0.000 1.203 149 M CA -0.762 54.542 55.300 0.007 0.000 0.841 149 M CB 2.018 34.688 32.600 0.117 0.000 1.685 149 M HN 0.710 nan 8.290 nan 0.000 0.492 150 D N 1.797 122.166 120.400 -0.052 0.000 2.373 150 D HA 0.336 4.965 4.640 -0.019 0.000 0.227 150 D C -0.835 175.490 176.300 0.042 0.000 1.091 150 D CA -0.233 53.736 54.000 -0.051 0.000 0.840 150 D CB 0.700 41.492 40.800 -0.013 0.000 1.060 150 D HN 0.671 nan 8.370 nan 0.000 0.502 151 Y N 1.106 121.426 120.300 0.034 0.000 2.469 151 Y HA -0.127 4.411 4.550 -0.020 0.000 0.353 151 Y C 1.693 177.595 175.900 0.003 0.000 1.269 151 Y CA -0.608 57.514 58.100 0.036 0.000 1.504 151 Y CB 0.816 39.315 38.460 0.065 0.000 1.369 151 Y HN 0.359 nan 8.280 nan 0.000 0.654 152 K N 2.017 122.520 120.400 0.171 0.000 2.326 152 K HA 0.062 4.371 4.320 -0.019 0.000 0.275 152 K C -0.628 176.034 176.600 0.103 0.000 1.018 152 K CA -0.584 55.749 56.287 0.076 0.000 0.962 152 K CB 0.773 33.289 32.500 0.026 0.000 0.953 152 K HN 0.623 nan 8.250 nan 0.000 0.475 153 Q N 1.929 121.785 119.800 0.094 0.000 2.304 153 Q HA 0.117 4.446 4.340 -0.019 0.000 0.260 153 Q C -1.164 174.897 176.000 0.102 0.000 0.965 153 Q CA 0.110 55.975 55.803 0.103 0.000 0.898 153 Q CB 1.037 29.835 28.738 0.100 0.000 1.196 153 Q HN 0.730 nan 8.270 nan 0.000 0.402 154 T N 4.496 119.117 114.554 0.111 0.000 2.971 154 T HA 0.328 4.666 4.350 -0.019 0.000 0.304 154 T C -1.347 173.442 174.700 0.148 0.000 1.038 154 T CA -0.658 61.511 62.100 0.116 0.000 1.007 154 T CB 1.477 70.402 68.868 0.095 0.000 1.055 154 T HN 0.578 nan 8.240 nan 0.000 0.451 155 Q N 2.472 122.366 119.800 0.157 0.000 2.304 155 Q HA 0.740 5.068 4.340 -0.019 0.000 0.270 155 Q C -1.342 174.774 176.000 0.192 0.000 1.035 155 Q CA -1.030 54.912 55.803 0.232 0.000 0.781 155 Q CB 2.449 31.260 28.738 0.122 0.000 1.261 155 Q HN 0.620 nan 8.270 nan 0.000 0.444 156 L N -0.805 120.597 121.223 0.299 0.000 2.582 156 L HA 0.868 5.197 4.340 -0.019 0.000 0.257 156 L C -1.632 175.432 176.870 0.324 0.000 0.974 156 L CA -0.752 54.227 54.840 0.232 0.000 0.851 156 L CB 1.963 44.145 42.059 0.204 0.000 1.424 156 L HN 0.669 nan 8.230 nan 0.000 0.412 157 C N 3.105 122.547 119.300 0.237 0.000 2.607 157 C HA 0.834 5.282 4.460 -0.019 0.000 0.350 157 C C -1.150 173.944 174.990 0.174 0.000 1.101 157 C CA -0.447 58.743 59.018 0.286 0.000 1.282 157 C CB 0.455 28.419 27.740 0.374 0.000 1.825 157 C HN 0.897 nan 8.230 nan 0.000 0.460 158 L N 6.804 128.143 121.223 0.194 0.000 2.346 158 L HA 0.743 5.072 4.340 -0.019 0.000 0.276 158 L C -0.431 176.540 176.870 0.168 0.000 1.006 158 L CA -0.593 54.324 54.840 0.128 0.000 0.817 158 L CB 1.613 43.688 42.059 0.027 0.000 1.272 158 L HN 0.530 nan 8.230 nan 0.000 0.421 159 I N 1.620 122.282 120.570 0.154 0.000 2.582 159 I HA 0.847 5.005 4.170 -0.019 0.000 0.292 159 I C 0.111 175.998 176.117 -0.383 0.000 1.066 159 I CA -0.431 60.925 61.300 0.092 0.000 1.053 159 I CB 2.219 40.430 38.000 0.352 0.000 1.241 159 I HN 0.754 nan 8.210 nan 0.000 0.421 160 G N 2.363 110.826 108.800 -0.561 0.000 0.000 160 G HA2 0.337 4.286 3.960 -0.019 0.000 0.000 160 G HA3 0.337 4.286 3.960 -0.019 0.000 0.000 160 G C -0.351 174.344 174.900 -0.342 0.000 0.000 160 G CA -0.265 44.190 45.100 -1.076 0.000 0.000 160 G HN 0.761 nan 8.290 nan 0.000 0.000 161 C N -1.011 118.258 119.300 -0.051 0.000 2.855 161 C HA 0.647 5.096 4.460 -0.019 0.000 0.279 161 C C 0.170 175.322 174.990 0.270 0.000 1.270 161 C CA -0.923 58.248 59.018 0.256 0.000 1.702 161 C CB -1.337 26.633 27.740 0.384 0.000 1.949 161 C HN 0.342 nan 8.230 nan 0.000 0.618 162 K N 1.954 122.391 120.400 0.062 0.000 2.435 162 K HA 0.586 4.895 4.320 -0.019 0.000 0.251 162 K C -2.940 173.212 176.600 -0.747 0.000 0.954 162 K CA -1.810 54.361 56.287 -0.194 0.000 0.820 162 K CB 1.951 34.377 32.500 -0.123 0.000 1.292 162 K HN -0.023 nan 8.250 nan 0.000 0.436 163 P HA 0.099 nan 4.420 nan 0.000 0.269 163 P C -2.449 174.445 177.300 -0.676 0.000 1.215 163 P CA -0.952 61.237 63.100 -1.518 0.000 0.780 163 P CB -0.355 30.636 31.700 -1.180 0.000 0.898 164 P HA 0.265 nan 4.420 nan 0.000 0.271 164 P C -0.540 176.552 177.300 -0.346 0.000 1.218 164 P CA 0.098 62.988 63.100 -0.350 0.000 0.780 164 P CB 0.562 32.092 31.700 -0.283 0.000 0.901 165 I N 1.363 121.740 120.570 -0.321 0.000 2.433 165 I HA 0.539 4.698 4.170 -0.019 0.000 0.292 165 I C 0.929 176.866 176.117 -0.300 0.000 1.001 165 I CA -0.104 61.025 61.300 -0.285 0.000 1.119 165 I CB 1.877 39.740 38.000 -0.227 0.000 1.289 165 I HN 0.401 nan 8.210 nan 0.000 0.438 166 G N 3.982 112.629 108.800 -0.255 0.000 2.644 166 G HA2 0.800 4.749 3.960 -0.019 0.000 0.307 166 G HA3 0.800 4.749 3.960 -0.019 0.000 0.307 166 G C -1.331 173.501 174.900 -0.113 0.000 1.250 166 G CA -0.481 44.489 45.100 -0.217 0.000 0.996 166 G HN 0.626 nan 8.290 nan 0.000 0.489 167 E N -0.833 119.334 120.200 -0.055 0.000 2.343 167 E HA 0.653 4.992 4.350 -0.019 0.000 0.270 167 E C -1.295 175.309 176.600 0.008 0.000 0.895 167 E CA -1.022 55.328 56.400 -0.083 0.000 0.767 167 E CB 2.396 32.005 29.700 -0.151 0.000 1.248 167 E HN 0.769 nan 8.360 nan 0.000 0.440 168 H N 0.144 119.072 119.070 -0.237 0.000 3.037 168 H HA 0.241 4.785 4.556 -0.019 0.000 0.336 168 H C -1.934 173.207 175.328 -0.311 0.000 1.323 168 H CA -1.186 54.745 56.048 -0.194 0.000 1.159 168 H CB 0.187 29.915 29.762 -0.057 0.000 1.882 168 H HN 0.651 nan 8.280 nan 0.000 0.535 169 W N 1.398 122.640 121.300 -0.096 0.000 2.316 169 W HA 0.591 5.241 4.660 -0.017 0.000 0.311 169 W C 0.641 177.092 176.519 -0.114 0.000 1.217 169 W CA 0.301 57.552 57.345 -0.157 0.000 1.199 169 W CB 1.748 31.151 29.460 -0.096 0.000 1.202 169 W HN 0.873 nan 8.180 nan 0.000 0.528 170 G N 1.677 110.502 108.800 0.042 0.000 3.042 170 G HA2 0.404 4.353 3.960 -0.019 0.000 0.278 170 G HA3 0.404 4.353 3.960 -0.019 0.000 0.278 170 G C -1.504 173.439 174.900 0.072 0.000 1.371 170 G CA -1.099 44.043 45.100 0.071 0.000 1.009 170 G HN 0.262 nan 8.290 nan 0.000 0.523 171 K N 0.638 121.071 120.400 0.054 0.000 2.310 171 K HA 0.385 4.693 4.320 -0.019 0.000 0.290 171 K C 0.735 177.355 176.600 0.032 0.000 1.077 171 K CA -0.255 56.056 56.287 0.040 0.000 0.922 171 K CB 0.116 32.633 32.500 0.028 0.000 1.057 171 K HN 0.537 nan 8.250 nan 0.000 0.479 172 G N 1.998 110.820 108.800 0.037 0.000 2.667 172 G HA2 0.005 3.954 3.960 -0.019 0.000 0.250 172 G HA3 0.005 3.954 3.960 -0.019 0.000 0.250 172 G C -0.353 174.558 174.900 0.018 0.000 1.212 172 G CA -0.588 44.528 45.100 0.027 0.000 0.874 172 G HN 0.705 nan 8.290 nan 0.000 0.561 173 S N 1.078 116.785 115.700 0.012 0.000 2.545 173 S HA 0.524 4.982 4.470 -0.019 0.000 0.275 173 S C -1.820 172.785 174.600 0.009 0.000 1.299 173 S CA -0.980 57.225 58.200 0.008 0.000 1.048 173 S CB 1.449 64.652 63.200 0.005 0.000 0.938 173 S HN 0.633 nan 8.310 nan 0.000 0.496 174 P HA 0.323 nan 4.420 nan 0.000 0.281 174 P C -0.590 176.713 177.300 0.005 0.000 1.249 174 P CA -0.654 62.450 63.100 0.006 0.000 0.810 174 P CB 0.600 32.302 31.700 0.004 0.000 1.008 175 C N 1.273 120.575 119.300 0.004 0.000 2.637 175 C HA 0.135 4.584 4.460 -0.019 0.000 0.418 175 C C 1.179 176.171 174.990 0.002 0.000 1.319 175 C CA 0.271 59.291 59.018 0.004 0.000 1.949 175 C CB -0.538 27.204 27.740 0.004 0.000 2.639 175 C HN 0.555 nan 8.230 nan 0.000 0.594 176 T N 5.215 119.771 114.554 0.002 0.000 3.462 176 T HA 0.201 4.540 4.350 -0.019 0.000 0.257 176 T C 0.161 174.862 174.700 0.001 0.000 1.015 176 T CA 0.443 62.544 62.100 0.001 0.000 1.135 176 T CB -0.191 68.677 68.868 0.001 0.000 1.061 176 T HN 0.774 nan 8.240 nan 0.000 0.772 177 Q N 0.333 120.133 119.800 0.001 0.000 2.365 177 Q HA 0.307 4.636 4.340 -0.019 0.000 0.300 177 Q C -0.242 175.759 176.000 0.001 0.000 0.778 177 Q CA -0.780 55.024 55.803 0.001 0.000 0.647 177 Q CB 0.456 29.194 28.738 0.001 0.000 2.776 177 Q HN 0.301 nan 8.270 nan 0.000 0.217 178 V N 2.780 122.695 119.914 0.001 0.000 2.479 178 V HA 0.141 4.250 4.120 -0.019 0.000 0.284 178 V C 0.159 176.253 176.094 -0.000 0.000 0.981 178 V CA 0.186 62.486 62.300 0.000 0.000 1.139 178 V CB -1.024 30.799 31.823 0.000 0.000 0.947 178 V HN 0.535 nan 8.190 nan 0.000 0.468 179 A N 5.881 128.701 122.820 -0.000 0.000 2.561 179 A HA 0.280 4.589 4.320 -0.019 0.000 0.251 179 A C 0.422 178.006 177.584 -0.001 0.000 1.062 179 A CA -0.223 51.814 52.037 -0.000 0.000 0.761 179 A CB -0.212 18.787 19.000 -0.001 0.000 0.986 179 A HN 0.879 nan 8.150 nan 0.000 0.510 180 V N 5.393 125.307 119.914 -0.001 0.000 2.486 180 V HA -0.067 4.042 4.120 -0.019 0.000 0.290 180 V C 0.678 176.771 176.094 -0.002 0.000 0.991 180 V CA 0.271 62.571 62.300 -0.001 0.000 1.142 180 V CB -0.555 31.268 31.823 -0.001 0.000 0.926 180 V HN 0.867 nan 8.190 nan 0.000 0.472 181 Q N 6.108 125.907 119.800 -0.002 0.000 2.332 181 Q HA 0.259 4.587 4.340 -0.019 0.000 0.263 181 Q C -2.194 173.804 176.000 -0.003 0.000 0.979 181 Q CA -2.000 53.802 55.803 -0.003 0.000 0.885 181 Q CB 0.469 29.206 28.738 -0.002 0.000 1.218 181 Q HN 0.474 nan 8.270 nan 0.000 0.405 182 P HA -0.034 nan 4.420 nan 0.000 0.264 182 P C 0.667 177.963 177.300 -0.005 0.000 1.183 182 P CA 1.104 64.201 63.100 -0.004 0.000 0.763 182 P CB 0.376 32.073 31.700 -0.004 0.000 0.807 183 G N 1.636 110.432 108.800 -0.006 0.000 2.205 183 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.261 183 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.261 183 G C 0.123 175.018 174.900 -0.008 0.000 0.980 183 G CA -0.113 44.982 45.100 -0.008 0.000 0.632 183 G HN 0.510 nan 8.290 nan 0.000 0.533 184 D N 0.009 120.405 120.400 -0.007 0.000 2.449 184 D HA 0.322 4.950 4.640 -0.019 0.000 0.236 184 D C 1.156 177.451 176.300 -0.009 0.000 1.149 184 D CA 0.112 54.107 54.000 -0.007 0.000 0.878 184 D CB 0.800 41.597 40.800 -0.005 0.000 1.198 184 D HN 0.439 nan 8.370 nan 0.000 0.446 185 C N 4.583 123.877 119.300 -0.011 0.000 2.648 185 C HA 0.276 4.724 4.460 -0.019 0.000 0.419 185 C C -1.853 173.130 174.990 -0.013 0.000 1.352 185 C CA -1.280 57.728 59.018 -0.015 0.000 1.816 185 C CB -0.565 27.163 27.740 -0.020 0.000 2.598 185 C HN 0.436 nan 8.230 nan 0.000 0.598 186 P HA 0.333 nan 4.420 nan 0.000 0.278 186 P C -2.664 174.632 177.300 -0.007 0.000 1.238 186 P CA -1.000 62.097 63.100 -0.006 0.000 0.794 186 P CB 0.466 32.165 31.700 -0.002 0.000 0.955 187 P HA 0.181 nan 4.420 nan 0.000 0.275 187 P C -0.493 176.824 177.300 0.028 0.000 1.227 187 P CA -0.195 62.910 63.100 0.008 0.000 0.781 187 P CB 0.663 32.371 31.700 0.013 0.000 0.906 188 L N 2.083 123.328 121.223 0.037 0.000 2.399 188 L HA 0.521 4.849 4.340 -0.019 0.000 0.265 188 L C 0.690 177.682 176.870 0.203 0.000 1.089 188 L CA -0.009 54.901 54.840 0.117 0.000 0.802 188 L CB 0.269 42.349 42.059 0.036 0.000 1.180 188 L HN 0.599 nan 8.230 nan 0.000 0.454 189 E N 1.544 121.924 120.200 0.299 0.000 2.397 189 E HA 0.158 4.496 4.350 -0.019 0.000 0.293 189 E C -1.807 174.766 176.600 -0.044 0.000 0.930 189 E CA -0.719 55.775 56.400 0.157 0.000 0.793 189 E CB 2.261 31.983 29.700 0.037 0.000 1.259 189 E HN 0.354 nan 8.360 nan 0.000 0.406 190 L N 5.798 126.824 121.223 -0.328 0.000 2.418 190 L HA 0.365 4.693 4.340 -0.019 0.000 0.274 190 L C -0.746 175.835 176.870 -0.482 0.000 1.135 190 L CA 0.449 54.814 54.840 -0.792 0.000 0.870 190 L CB 0.248 41.756 42.059 -0.917 0.000 1.154 190 L HN 0.455 nan 8.230 nan 0.000 0.462 191 I N 5.413 125.633 120.570 -0.584 0.000 2.389 191 I HA 0.312 4.471 4.170 -0.019 0.000 0.288 191 I C -0.118 175.814 176.117 -0.308 0.000 0.999 191 I CA -0.643 60.402 61.300 -0.426 0.000 1.129 191 I CB 1.151 38.864 38.000 -0.477 0.000 1.288 191 I HN 0.530 nan 8.210 nan 0.000 0.444 192 N N 3.836 122.432 118.700 -0.174 0.000 2.514 192 N HA 0.355 5.084 4.740 -0.019 0.000 0.277 192 N C -0.319 175.163 175.510 -0.047 0.000 1.126 192 N CA 0.206 53.188 53.050 -0.113 0.000 0.978 192 N CB 1.859 40.279 38.487 -0.112 0.000 1.106 192 N HN 0.639 nan 8.380 nan 0.000 0.461 193 T N -0.608 113.924 114.554 -0.037 0.000 2.841 193 T HA 0.434 4.772 4.350 -0.019 0.000 0.296 193 T C -1.149 173.481 174.700 -0.116 0.000 1.166 193 T CA -0.588 61.499 62.100 -0.021 0.000 1.007 193 T CB 0.847 69.743 68.868 0.047 0.000 1.253 193 T HN 0.000 nan 8.240 nan 0.000 0.511 194 V N 3.701 123.529 119.914 -0.143 0.000 2.432 194 V HA 0.408 4.516 4.120 -0.019 0.000 0.275 194 V C 0.440 176.387 176.094 -0.244 0.000 1.043 194 V CA -0.867 61.258 62.300 -0.291 0.000 0.925 194 V CB 1.090 32.543 31.823 -0.616 0.000 0.985 194 V HN 0.685 nan 8.190 nan 0.000 0.466 195 I N 5.480 125.875 120.570 -0.292 0.000 2.494 195 I HA 0.175 4.333 4.170 -0.019 0.000 0.289 195 I C 0.501 176.506 176.117 -0.187 0.000 1.106 195 I CA 0.323 61.419 61.300 -0.340 0.000 1.369 195 I CB 0.120 37.788 38.000 -0.553 0.000 1.410 195 I HN 0.707 nan 8.210 nan 0.000 0.523 196 Q N 3.724 123.445 119.800 -0.131 0.000 2.205 196 Q HA 0.218 4.546 4.340 -0.019 0.000 0.249 196 Q C -0.454 175.551 176.000 0.010 0.000 0.948 196 Q CA -0.829 54.945 55.803 -0.047 0.000 0.895 196 Q CB 1.698 30.378 28.738 -0.097 0.000 1.249 196 Q HN 0.466 nan 8.270 nan 0.000 0.458 197 D N -0.457 119.987 120.400 0.073 0.000 2.434 197 D HA 0.214 4.843 4.640 -0.019 0.000 0.252 197 D C 0.747 177.082 176.300 0.058 0.000 1.185 197 D CA 1.805 55.855 54.000 0.084 0.000 0.886 197 D CB 0.097 40.972 40.800 0.126 0.000 1.148 197 D HN 0.682 nan 8.370 nan 0.000 0.483 198 G N 3.356 112.211 108.800 0.092 0.000 2.238 198 G HA2 -0.222 3.727 3.960 -0.019 0.000 0.217 198 G HA3 -0.222 3.727 3.960 -0.019 0.000 0.217 198 G C 0.233 175.197 174.900 0.106 0.000 0.996 198 G CA -0.103 45.048 45.100 0.084 0.000 0.632 198 G HN 0.605 nan 8.290 nan 0.000 0.503 199 D N 1.149 121.622 120.400 0.123 0.000 2.362 199 D HA 0.439 5.068 4.640 -0.019 0.000 0.238 199 D C 1.117 177.578 176.300 0.269 0.000 1.212 199 D CA 0.365 54.451 54.000 0.144 0.000 0.902 199 D CB 0.355 41.187 40.800 0.053 0.000 1.180 199 D HN 0.099 nan 8.370 nan 0.000 0.445 200 M N 0.889 120.625 119.600 0.227 0.000 2.367 200 M HA 0.283 4.751 4.480 -0.019 0.000 0.339 200 M C -0.261 176.193 176.300 0.257 0.000 1.177 200 M CA -0.904 54.513 55.300 0.195 0.000 1.068 200 M CB 1.382 34.055 32.600 0.121 0.000 1.602 200 M HN -0.022 nan 8.290 nan 0.000 0.457 201 V N 1.848 121.806 119.914 0.072 0.000 2.743 201 V HA 0.182 4.291 4.120 -0.019 0.000 0.301 201 V C 0.299 176.440 176.094 0.078 0.000 1.057 201 V CA -1.135 61.174 62.300 0.016 0.000 1.006 201 V CB 1.218 32.906 31.823 -0.226 0.000 1.024 201 V HN 0.907 nan 8.190 nan 0.000 0.473 202 D N 1.865 122.364 120.400 0.165 0.000 2.525 202 D HA -0.062 4.566 4.640 -0.019 0.000 0.235 202 D C 0.828 177.136 176.300 0.014 0.000 1.137 202 D CA 0.516 54.600 54.000 0.141 0.000 0.868 202 D CB 1.283 42.179 40.800 0.159 0.000 1.180 202 D HN 0.788 nan 8.370 nan 0.000 0.465 203 T N -1.611 112.896 114.554 -0.078 0.000 3.044 203 T HA 0.462 4.801 4.350 -0.019 0.000 0.260 203 T C 1.273 175.895 174.700 -0.129 0.000 1.019 203 T CA 0.153 62.072 62.100 -0.303 0.000 0.921 203 T CB 0.380 68.545 68.868 -1.173 0.000 1.053 203 T HN 0.799 nan 8.240 nan 0.000 0.533 204 G N 0.842 109.616 108.800 -0.043 0.000 2.425 204 G HA2 -0.081 3.868 3.960 -0.019 0.000 0.177 204 G HA3 -0.081 3.868 3.960 -0.019 0.000 0.177 204 G C 0.180 174.891 174.900 -0.315 0.000 0.999 204 G CA -0.375 44.622 45.100 -0.172 0.000 0.723 204 G HN 0.425 nan 8.290 nan 0.000 0.491 205 F N 2.128 122.122 119.950 0.073 0.000 2.647 205 F HA 0.523 5.038 4.527 -0.020 0.000 0.300 205 F C 1.587 177.525 175.800 0.231 0.000 1.106 205 F CA 0.586 58.697 58.000 0.186 0.000 1.313 205 F CB 0.827 39.978 39.000 0.251 0.000 1.007 205 F HN 0.716 nan 8.300 nan 0.000 0.536 206 G N 0.976 109.921 108.800 0.242 0.000 2.828 206 G HA2 0.078 4.026 3.960 -0.019 0.000 0.463 206 G HA3 0.078 4.026 3.960 -0.019 0.000 0.463 206 G C -0.478 174.577 174.900 0.258 0.000 1.394 206 G CA -0.676 44.540 45.100 0.193 0.000 0.862 206 G HN 0.648 nan 8.290 nan 0.000 0.540 207 A N 0.504 123.461 122.820 0.229 0.000 2.444 207 A HA 0.795 5.104 4.320 -0.019 0.000 0.332 207 A C 0.449 178.172 177.584 0.232 0.000 1.430 207 A CA 0.842 53.027 52.037 0.247 0.000 0.975 207 A CB -0.472 18.675 19.000 0.245 0.000 1.147 207 A HN 1.984 nan 8.150 nan 0.000 0.524 208 M N 0.348 119.989 119.600 0.068 0.000 2.683 208 M HA 0.539 5.007 4.480 -0.019 0.000 0.274 208 M C -1.638 174.501 176.300 -0.267 0.000 1.272 208 M CA -0.842 54.412 55.300 -0.077 0.000 0.833 208 M CB 1.745 34.170 32.600 -0.291 0.000 1.708 208 M HN 0.248 nan 8.290 nan 0.000 0.463 209 D N 1.194 121.541 120.400 -0.088 0.000 2.468 209 D HA 0.324 4.952 4.640 -0.019 0.000 0.218 209 D C -0.058 176.167 176.300 -0.125 0.000 1.155 209 D CA -0.244 53.732 54.000 -0.040 0.000 0.924 209 D CB 0.019 40.881 40.800 0.104 0.000 1.029 209 D HN 0.558 nan 8.370 nan 0.000 0.515 210 F N 1.058 121.038 119.950 0.051 0.000 2.269 210 F HA -0.134 4.381 4.527 -0.020 0.000 0.301 210 F C 2.455 178.261 175.800 0.011 0.000 1.082 210 F CA 0.786 58.798 58.000 0.020 0.000 1.360 210 F CB -0.486 38.505 39.000 -0.014 0.000 1.041 210 F HN 0.274 nan 8.300 nan 0.000 0.512 211 T N -1.202 113.454 114.554 0.170 0.000 2.674 211 T HA -0.188 4.150 4.350 -0.019 0.000 0.265 211 T C 2.108 176.846 174.700 0.062 0.000 1.039 211 T CA 2.037 64.197 62.100 0.099 0.000 1.150 211 T CB -0.748 68.164 68.868 0.074 0.000 0.864 211 T HN 0.417 nan 8.240 nan 0.000 0.427 212 T N -0.783 113.801 114.554 0.051 0.000 3.129 212 T HA 0.195 4.534 4.350 -0.019 0.000 0.251 212 T C 1.201 175.915 174.700 0.023 0.000 1.117 212 T CA 0.130 62.251 62.100 0.035 0.000 1.034 212 T CB -0.075 68.816 68.868 0.039 0.000 0.968 212 T HN 0.055 nan 8.240 nan 0.000 0.526 213 L N 0.157 121.389 121.223 0.015 0.000 2.966 213 L HA 0.500 4.829 4.340 -0.019 0.000 0.262 213 L C 0.224 177.098 176.870 0.006 0.000 1.165 213 L CA 0.324 55.161 54.840 -0.005 0.000 0.978 213 L CB 0.206 42.236 42.059 -0.048 0.000 1.337 213 L HN 0.359 nan 8.230 nan 0.000 0.563 214 Q N -0.955 118.866 119.800 0.034 0.000 3.021 214 Q HA 0.421 4.749 4.340 -0.019 0.000 0.234 214 Q C 0.814 176.830 176.000 0.026 0.000 0.930 214 Q CA 0.099 55.924 55.803 0.037 0.000 0.714 214 Q CB 1.577 30.365 28.738 0.084 0.000 1.325 214 Q HN 0.127 nan 8.270 nan 0.000 0.473 215 A N 1.994 124.819 122.820 0.009 0.000 1.978 215 A HA -0.246 4.063 4.320 -0.019 0.000 0.220 215 A C 1.832 179.413 177.584 -0.005 0.000 1.170 215 A CA 1.711 53.750 52.037 0.003 0.000 0.636 215 A CB -0.313 18.685 19.000 -0.003 0.000 0.810 215 A HN 0.747 nan 8.150 nan 0.000 0.448 216 N N -0.243 118.446 118.700 -0.017 0.000 2.069 216 N HA -0.267 4.462 4.740 -0.019 0.000 0.196 216 N C 0.653 176.140 175.510 -0.038 0.000 1.024 216 N CA 2.019 55.045 53.050 -0.039 0.000 0.869 216 N CB -0.237 38.214 38.487 -0.061 0.000 1.035 216 N HN 0.532 nan 8.380 nan 0.000 0.434 217 K N -2.042 118.348 120.400 -0.017 0.000 3.407 217 K HA -0.123 4.186 4.320 -0.019 0.000 0.312 217 K C -0.412 176.186 176.600 -0.003 0.000 1.302 217 K CA 0.837 57.132 56.287 0.013 0.000 0.931 217 K CB -1.349 31.167 32.500 0.027 0.000 1.257 217 K HN 0.220 nan 8.250 nan 0.000 0.454 218 S N -0.565 115.058 115.700 -0.128 0.000 3.082 218 S HA 0.108 4.566 4.470 -0.019 0.000 0.253 218 S C 0.516 174.925 174.600 -0.318 0.000 0.961 218 S CA -0.709 57.278 58.200 -0.355 0.000 1.129 218 S CB 0.638 63.595 63.200 -0.406 0.000 1.083 218 S HN 0.189 nan 8.310 nan 0.000 0.605 219 E N 1.405 121.464 120.200 -0.234 0.000 2.230 219 E HA 0.068 4.406 4.350 -0.019 0.000 0.192 219 E C 1.038 177.376 176.600 -0.437 0.000 0.987 219 E CA 0.748 56.962 56.400 -0.310 0.000 0.841 219 E CB 0.289 29.872 29.700 -0.194 0.000 0.783 219 E HN 0.544 nan 8.360 nan 0.000 0.481 220 V N -2.480 117.190 119.914 -0.407 0.000 3.160 220 V HA 0.543 4.652 4.120 -0.019 0.000 0.310 220 V C -2.905 173.053 176.094 -0.228 0.000 1.181 220 V CA -3.013 58.941 62.300 -0.577 0.000 1.047 220 V CB 1.657 32.885 31.823 -0.992 0.000 1.068 220 V HN -0.271 nan 8.190 nan 0.000 0.441 221 P HA 0.128 nan 4.420 nan 0.000 0.269 221 P C 0.947 178.170 177.300 -0.129 0.000 1.211 221 P CA -0.166 62.886 63.100 -0.080 0.000 0.781 221 P CB 0.306 31.960 31.700 -0.078 0.000 0.877 222 L N 2.015 123.092 121.223 -0.243 0.000 2.043 222 L HA -0.204 4.125 4.340 -0.019 0.000 0.212 222 L C 1.881 178.729 176.870 -0.035 0.000 1.075 222 L CA 2.231 56.956 54.840 -0.191 0.000 0.752 222 L CB -1.928 40.046 42.059 -0.142 0.000 0.891 222 L HN 0.526 nan 8.230 nan 0.000 0.432 223 D N 0.011 120.393 120.400 -0.029 0.000 2.309 223 D HA -0.201 4.427 4.640 -0.019 0.000 0.212 223 D C 1.637 177.972 176.300 0.059 0.000 0.968 223 D CA 1.312 55.374 54.000 0.104 0.000 0.882 223 D CB -0.320 40.602 40.800 0.204 0.000 0.918 223 D HN 0.644 nan 8.370 nan 0.000 0.503 224 I N -3.586 116.956 120.570 -0.047 0.000 4.439 224 I HA 0.259 4.418 4.170 -0.019 0.000 0.331 224 I C 2.066 178.046 176.117 -0.227 0.000 1.345 224 I CA -0.621 60.592 61.300 -0.145 0.000 1.193 224 I CB 0.024 37.829 38.000 -0.324 0.000 1.221 224 I HN 0.012 nan 8.210 nan 0.000 0.429 225 C N 2.652 121.847 119.300 -0.176 0.000 2.391 225 C HA -0.167 4.282 4.460 -0.019 0.000 0.276 225 C C 2.190 177.181 174.990 0.001 0.000 1.217 225 C CA 2.169 61.118 59.018 -0.116 0.000 1.766 225 C CB -1.238 26.475 27.740 -0.045 0.000 2.046 225 C HN 0.744 nan 8.230 nan 0.000 0.475 226 T N -1.835 112.736 114.554 0.029 0.000 3.415 226 T HA 0.506 4.845 4.350 -0.019 0.000 0.282 226 T C 0.022 174.769 174.700 0.079 0.000 1.007 226 T CA -0.180 61.959 62.100 0.064 0.000 0.958 226 T CB 0.119 69.009 68.868 0.037 0.000 1.171 226 T HN 0.426 nan 8.240 nan 0.000 0.500 227 S N 0.634 116.399 115.700 0.109 0.000 2.823 227 S HA 0.833 5.291 4.470 -0.019 0.000 0.316 227 S C -0.952 173.759 174.600 0.185 0.000 1.116 227 S CA -0.826 57.441 58.200 0.112 0.000 0.911 227 S CB 0.928 64.181 63.200 0.088 0.000 1.276 227 S HN 0.358 nan 8.310 nan 0.000 0.565 228 I N 0.920 121.557 120.570 0.112 0.000 2.418 228 I HA 0.337 4.496 4.170 -0.019 0.000 0.287 228 I C -0.959 175.225 176.117 0.111 0.000 1.008 228 I CA -0.116 61.221 61.300 0.060 0.000 1.104 228 I CB 1.149 39.026 38.000 -0.205 0.000 1.264 228 I HN 0.478 nan 8.210 nan 0.000 0.438 229 C N 6.427 125.878 119.300 0.251 0.000 2.303 229 C HA 0.415 4.863 4.460 -0.019 0.000 0.341 229 C C 0.466 175.587 174.990 0.219 0.000 1.244 229 C CA -0.739 58.441 59.018 0.269 0.000 1.765 229 C CB -0.824 27.149 27.740 0.388 0.000 2.379 229 C HN 0.631 nan 8.230 nan 0.000 0.530 230 K N 2.565 123.104 120.400 0.231 0.000 2.156 230 K HA 0.500 4.809 4.320 -0.019 0.000 0.250 230 K C -1.203 175.607 176.600 0.351 0.000 0.955 230 K CA -0.593 55.813 56.287 0.199 0.000 0.855 230 K CB 2.068 34.567 32.500 -0.001 0.000 1.101 230 K HN 0.606 nan 8.250 nan 0.000 0.434 231 Y N 1.791 122.158 120.300 0.112 0.000 2.409 231 Y HA 0.297 4.836 4.550 -0.018 0.000 0.343 231 Y C -2.620 173.258 175.900 -0.037 0.000 0.973 231 Y CA -2.574 55.596 58.100 0.117 0.000 1.064 231 Y CB 1.638 40.161 38.460 0.106 0.000 1.207 231 Y HN 0.402 nan 8.280 nan 0.000 0.452 232 P HA -0.036 nan 4.420 nan 0.000 0.264 232 P C -0.728 176.099 177.300 -0.788 0.000 1.183 232 P CA 0.408 62.998 63.100 -0.850 0.000 0.763 232 P CB 0.508 31.373 31.700 -1.393 0.000 0.807 233 D N 2.757 122.857 120.400 -0.500 0.000 2.563 233 D HA 0.045 4.674 4.640 -0.019 0.000 0.222 233 D C 0.610 176.731 176.300 -0.297 0.000 1.145 233 D CA -0.241 53.593 54.000 -0.276 0.000 1.001 233 D CB -0.355 40.335 40.800 -0.185 0.000 1.049 233 D HN 0.291 nan 8.370 nan 0.000 0.515 234 Y N 1.219 121.372 120.300 -0.245 0.000 2.151 234 Y HA -0.234 4.304 4.550 -0.019 0.000 0.284 234 Y C 2.297 178.103 175.900 -0.157 0.000 1.166 234 Y CA 0.968 58.896 58.100 -0.287 0.000 1.163 234 Y CB -0.241 38.003 38.460 -0.360 0.000 0.974 234 Y HN 0.356 nan 8.280 nan 0.000 0.511 235 I N 0.100 120.711 120.570 0.068 0.000 2.127 235 I HA -0.344 3.815 4.170 -0.019 0.000 0.241 235 I C 2.558 178.676 176.117 0.002 0.000 1.075 235 I CA 1.723 63.048 61.300 0.041 0.000 1.334 235 I CB -0.488 37.539 38.000 0.045 0.000 1.040 235 I HN 0.164 nan 8.210 nan 0.000 0.405 236 K N 1.138 121.518 120.400 -0.032 0.000 2.026 236 K HA -0.186 4.123 4.320 -0.019 0.000 0.208 236 K C 2.276 178.848 176.600 -0.047 0.000 1.048 236 K CA 1.609 57.867 56.287 -0.047 0.000 0.929 236 K CB -0.076 32.378 32.500 -0.076 0.000 0.713 236 K HN 0.206 nan 8.250 nan 0.000 0.439 237 M N 0.437 119.991 119.600 -0.077 0.000 2.149 237 M HA -0.162 4.307 4.480 -0.019 0.000 0.261 237 M C 2.066 178.362 176.300 -0.007 0.000 1.064 237 M CA 1.278 56.536 55.300 -0.069 0.000 1.102 237 M CB -0.037 32.480 32.600 -0.139 0.000 1.369 237 M HN 0.012 nan 8.290 nan 0.000 0.408 238 V N -1.026 118.897 119.914 0.016 0.000 2.719 238 V HA -0.131 3.978 4.120 -0.019 0.000 0.252 238 V C 2.188 178.305 176.094 0.038 0.000 1.065 238 V CA 1.439 63.773 62.300 0.057 0.000 1.086 238 V CB -0.326 31.550 31.823 0.089 0.000 0.700 238 V HN 0.389 nan 8.190 nan 0.000 0.467 239 S N -0.779 114.933 115.700 0.020 0.000 2.406 239 S HA -0.107 4.352 4.470 -0.019 0.000 0.228 239 S C 1.028 175.633 174.600 0.009 0.000 1.020 239 S CA 0.249 58.456 58.200 0.011 0.000 0.965 239 S CB -0.260 62.941 63.200 0.002 0.000 0.798 239 S HN 0.783 nan 8.310 nan 0.000 0.488 240 E N 3.231 123.439 120.200 0.014 0.000 2.966 240 E HA -0.107 4.231 4.350 -0.019 0.000 0.254 240 E C -1.235 175.385 176.600 0.034 0.000 0.923 240 E CA -0.730 55.686 56.400 0.026 0.000 0.960 240 E CB 0.652 30.378 29.700 0.045 0.000 0.901 240 E HN 0.117 nan 8.360 nan 0.000 0.525 241 P HA -0.232 nan 4.420 nan 0.000 0.215 241 P C 0.621 177.891 177.300 -0.049 0.000 1.163 241 P CA 1.751 64.787 63.100 -0.106 0.000 0.894 241 P CB -0.145 31.377 31.700 -0.297 0.000 0.791 242 Y N -0.770 119.632 120.300 0.171 0.000 2.475 242 Y HA 0.264 4.803 4.550 -0.019 0.000 0.289 242 Y C 1.912 177.978 175.900 0.276 0.000 1.121 242 Y CA 0.638 58.887 58.100 0.248 0.000 1.257 242 Y CB -0.688 37.881 38.460 0.182 0.000 1.026 242 Y HN 0.072 nan 8.280 nan 0.000 0.555 243 G N 0.852 109.846 108.800 0.323 0.000 2.246 243 G HA2 -0.267 3.681 3.960 -0.019 0.000 0.273 243 G HA3 -0.267 3.681 3.960 -0.019 0.000 0.273 243 G C 0.315 175.418 174.900 0.338 0.000 1.055 243 G CA 0.574 45.838 45.100 0.274 0.000 0.851 243 G HN 0.402 nan 8.290 nan 0.000 0.500 244 D N 0.249 120.836 120.400 0.312 0.000 2.240 244 D HA -0.051 4.577 4.640 -0.019 0.000 0.206 244 D C 2.669 179.031 176.300 0.103 0.000 0.963 244 D CA 1.229 55.418 54.000 0.316 0.000 0.863 244 D CB -0.270 40.717 40.800 0.312 0.000 0.973 244 D HN 0.634 nan 8.370 nan 0.000 0.501 245 S N 0.751 116.466 115.700 0.025 0.000 2.400 245 S HA -0.108 4.350 4.470 -0.019 0.000 0.232 245 S C 0.928 175.428 174.600 -0.167 0.000 1.025 245 S CA 0.504 58.641 58.200 -0.106 0.000 0.993 245 S CB -0.388 62.741 63.200 -0.119 0.000 0.808 245 S HN 0.311 nan 8.310 nan 0.000 0.478 246 L N -1.798 119.359 121.223 -0.110 0.000 2.710 246 L HA 0.626 4.955 4.340 -0.019 0.000 0.262 246 L C -0.616 176.293 176.870 0.065 0.000 0.940 246 L CA -1.025 53.736 54.840 -0.133 0.000 0.944 246 L CB 0.542 42.566 42.059 -0.059 0.000 1.348 246 L HN 0.032 nan 8.230 nan 0.000 0.425 247 F N 2.359 122.443 119.950 0.223 0.000 2.654 247 F HA 0.756 5.272 4.527 -0.019 0.000 0.303 247 F C -0.336 175.648 175.800 0.307 0.000 1.099 247 F CA -1.259 56.880 58.000 0.232 0.000 1.270 247 F CB -0.122 39.001 39.000 0.205 0.000 1.024 247 F HN 0.408 nan 8.300 nan 0.000 0.548 248 F N 1.708 121.843 119.950 0.308 0.000 2.704 248 F HA 0.520 5.036 4.527 -0.019 0.000 0.312 248 F C -2.081 173.832 175.800 0.188 0.000 1.108 248 F CA -1.793 56.322 58.000 0.192 0.000 1.005 248 F CB 0.798 39.922 39.000 0.205 0.000 1.277 248 F HN 0.089 nan 8.300 nan 0.000 0.445 249 Y N 4.227 123.817 120.300 -1.183 0.000 2.624 249 Y HA 0.826 5.365 4.550 -0.019 0.000 0.334 249 Y C -2.498 172.843 175.900 -0.931 0.000 1.155 249 Y CA -1.840 55.724 58.100 -0.893 0.000 1.046 249 Y CB 1.505 39.815 38.460 -0.251 0.000 1.316 249 Y HN 0.703 nan 8.280 nan 0.000 0.457 250 L N 3.760 124.761 121.223 -0.370 0.000 2.470 250 L HA 0.682 5.011 4.340 -0.019 0.000 0.268 250 L C -1.150 175.714 176.870 -0.010 0.000 0.964 250 L CA -0.944 53.722 54.840 -0.290 0.000 0.839 250 L CB 2.450 44.280 42.059 -0.382 0.000 1.276 250 L HN 0.921 nan 8.230 nan 0.000 0.403 251 R N 2.205 122.714 120.500 0.016 0.000 2.686 251 R HA 0.867 5.195 4.340 -0.019 0.000 0.283 251 R C -0.978 175.326 176.300 0.007 0.000 0.978 251 R CA -1.038 55.093 56.100 0.051 0.000 0.897 251 R CB 2.364 32.676 30.300 0.020 0.000 1.192 251 R HN 0.487 nan 8.270 nan 0.000 0.457 252 R N 1.502 122.024 120.500 0.037 0.000 2.605 252 R HA 0.174 4.503 4.340 -0.019 0.000 0.291 252 R C -1.617 174.724 176.300 0.069 0.000 1.226 252 R CA -0.364 55.753 56.100 0.029 0.000 0.981 252 R CB 1.445 31.743 30.300 -0.004 0.000 1.215 252 R HN 0.951 nan 8.270 nan 0.000 0.428 253 E N 3.642 123.887 120.200 0.075 0.000 2.293 253 E HA 0.400 4.738 4.350 -0.019 0.000 0.270 253 E C -1.424 175.218 176.600 0.070 0.000 0.879 253 E CA -1.063 55.391 56.400 0.091 0.000 0.756 253 E CB 2.579 32.357 29.700 0.131 0.000 1.208 253 E HN 0.539 nan 8.360 nan 0.000 0.428 254 Q N 2.998 122.841 119.800 0.072 0.000 2.377 254 Q HA 0.659 4.988 4.340 -0.019 0.000 0.279 254 Q C -1.223 174.825 176.000 0.079 0.000 1.049 254 Q CA -1.096 54.751 55.803 0.073 0.000 0.825 254 Q CB 2.667 31.452 28.738 0.078 0.000 1.401 254 Q HN 0.601 nan 8.270 nan 0.000 0.404 255 M N 2.693 122.347 119.600 0.089 0.000 2.605 255 M HA 0.603 5.072 4.480 -0.019 0.000 0.281 255 M C -2.264 174.120 176.300 0.140 0.000 1.166 255 M CA -0.521 54.819 55.300 0.066 0.000 0.875 255 M CB 2.421 35.018 32.600 -0.006 0.000 1.732 255 M HN 0.922 nan 8.290 nan 0.000 0.504 256 F N 1.316 121.243 119.950 -0.039 0.000 2.662 256 F HA 0.782 5.297 4.527 -0.020 0.000 0.312 256 F C -1.769 173.979 175.800 -0.086 0.000 1.113 256 F CA -1.029 56.934 58.000 -0.060 0.000 0.951 256 F CB 0.886 39.853 39.000 -0.055 0.000 1.344 256 F HN 0.167 nan 8.300 nan 0.000 0.462 257 V N 3.682 123.632 119.914 0.061 0.000 2.405 257 V HA 0.239 4.348 4.120 -0.019 0.000 0.264 257 V C 0.980 177.000 176.094 -0.124 0.000 1.048 257 V CA 0.014 62.245 62.300 -0.115 0.000 0.966 257 V CB 0.483 32.264 31.823 -0.070 0.000 1.015 257 V HN 0.912 nan 8.190 nan 0.000 0.477 258 R N 4.089 124.368 120.500 -0.368 0.000 2.057 258 R HA 0.106 4.435 4.340 -0.019 0.000 0.224 258 R C 0.417 176.394 176.300 -0.538 0.000 1.136 258 R CA 1.206 57.086 56.100 -0.366 0.000 0.968 258 R CB 0.086 30.152 30.300 -0.390 0.000 0.863 258 R HN 0.795 nan 8.270 nan 0.000 0.433 259 H N -1.782 117.070 119.070 -0.365 0.000 2.865 259 H HA 0.496 5.040 4.556 -0.020 0.000 0.372 259 H C -1.546 173.333 175.328 -0.748 0.000 1.173 259 H CA -0.899 54.804 56.048 -0.573 0.000 1.147 259 H CB 1.897 31.130 29.762 -0.883 0.000 1.805 259 H HN -0.061 nan 8.280 nan 0.000 0.553 260 L N 2.914 123.828 121.223 -0.514 0.000 2.316 260 L HA 0.373 4.702 4.340 -0.019 0.000 0.280 260 L C -1.042 175.670 176.870 -0.263 0.000 1.006 260 L CA 0.094 54.690 54.840 -0.406 0.000 0.836 260 L CB 0.260 42.195 42.059 -0.206 0.000 1.221 260 L HN 0.484 nan 8.230 nan 0.000 0.418 261 F N 0.571 120.299 119.950 -0.369 0.000 2.611 261 F HA 0.501 5.015 4.527 -0.022 0.000 0.374 261 F C 0.563 176.306 175.800 -0.095 0.000 1.110 261 F CA -1.083 56.701 58.000 -0.360 0.000 1.090 261 F CB 1.583 40.139 39.000 -0.740 0.000 1.388 261 F HN 0.371 nan 8.300 nan 0.000 0.501 262 N N -0.118 118.747 118.700 0.274 0.000 2.335 262 N HA 0.363 5.091 4.740 -0.019 0.000 0.304 262 N C -1.393 174.318 175.510 0.335 0.000 1.135 262 N CA -0.845 52.344 53.050 0.230 0.000 0.817 262 N CB 1.400 39.937 38.487 0.083 0.000 1.294 262 N HN 0.285 nan 8.380 nan 0.000 0.497 263 R N 1.408 122.040 120.500 0.220 0.000 2.338 263 R HA 0.439 4.767 4.340 -0.019 0.000 0.317 263 R C -0.510 175.806 176.300 0.027 0.000 0.968 263 R CA -0.454 55.731 56.100 0.141 0.000 0.849 263 R CB 1.375 31.722 30.300 0.078 0.000 1.128 263 R HN 0.581 nan 8.270 nan 0.000 0.448 264 A N 1.411 124.233 122.820 0.003 0.000 2.296 264 A HA 0.731 5.039 4.320 -0.019 0.000 0.264 264 A C 0.642 178.205 177.584 -0.035 0.000 1.097 264 A CA 0.644 52.665 52.037 -0.026 0.000 0.811 264 A CB 0.376 19.354 19.000 -0.036 0.000 1.072 264 A HN 0.843 nan 8.150 nan 0.000 0.495 265 G N -1.276 107.503 108.800 -0.035 0.000 2.316 265 G HA2 0.484 4.432 3.960 -0.019 0.000 0.349 265 G HA3 0.484 4.432 3.960 -0.019 0.000 0.349 265 G C -0.327 174.555 174.900 -0.030 0.000 1.274 265 G CA 0.103 45.182 45.100 -0.034 0.000 1.018 265 G HN 2.074 nan 8.290 nan 0.000 0.486 266 T N -2.105 112.433 114.554 -0.027 0.000 2.856 266 T HA 0.658 4.996 4.350 -0.019 0.000 0.283 266 T C 0.244 174.930 174.700 -0.024 0.000 1.008 266 T CA -0.192 61.895 62.100 -0.023 0.000 0.997 266 T CB 1.774 70.632 68.868 -0.017 0.000 0.992 266 T HN 1.511 nan 8.240 nan 0.000 0.454 267 V N 3.336 123.236 119.914 -0.023 0.000 2.555 267 V HA 0.193 4.301 4.120 -0.019 0.000 0.299 267 V C 1.699 177.782 176.094 -0.017 0.000 1.012 267 V CA 1.091 63.377 62.300 -0.024 0.000 1.180 267 V CB -0.085 31.726 31.823 -0.019 0.000 0.887 267 V HN 1.221 nan 8.190 nan 0.000 0.476 268 G N 4.397 113.186 108.800 -0.020 0.000 2.459 268 G HA2 0.073 4.021 3.960 -0.019 0.000 0.213 268 G HA3 0.073 4.021 3.960 -0.019 0.000 0.213 268 G C 0.405 175.298 174.900 -0.012 0.000 1.155 268 G CA 0.016 45.106 45.100 -0.016 0.000 0.811 268 G HN 0.670 nan 8.290 nan 0.000 0.534 269 E N 0.380 120.572 120.200 -0.013 0.000 2.263 269 E HA 0.240 4.579 4.350 -0.019 0.000 0.268 269 E C -1.091 175.506 176.600 -0.004 0.000 0.884 269 E CA -0.612 55.785 56.400 -0.006 0.000 0.766 269 E CB 1.672 31.367 29.700 -0.008 0.000 1.196 269 E HN 0.068 nan 8.360 nan 0.000 0.416 270 N N 1.132 119.835 118.700 0.006 0.000 2.513 270 N HA 0.180 4.909 4.740 -0.019 0.000 0.274 270 N C -0.556 174.971 175.510 0.028 0.000 1.189 270 N CA -0.187 52.872 53.050 0.015 0.000 0.975 270 N CB 1.303 39.809 38.487 0.031 0.000 1.157 270 N HN 0.127 nan 8.380 nan 0.000 0.465 271 V N 3.771 123.701 119.914 0.027 0.000 2.470 271 V HA 0.140 4.249 4.120 -0.019 0.000 0.276 271 V C -1.930 174.254 176.094 0.150 0.000 1.040 271 V CA -1.230 61.098 62.300 0.046 0.000 1.008 271 V CB 0.599 32.391 31.823 -0.053 0.000 0.990 271 V HN 0.584 nan 8.190 nan 0.000 0.477 272 P HA 0.041 nan 4.420 nan 0.000 0.261 272 P C 0.249 177.681 177.300 0.220 0.000 1.183 272 P CA -0.033 63.147 63.100 0.132 0.000 0.761 272 P CB 0.359 32.110 31.700 0.086 0.000 0.785 273 D N 1.762 122.249 120.400 0.143 0.000 2.392 273 D HA -0.169 4.460 4.640 -0.019 0.000 0.228 273 D C 0.750 176.952 176.300 -0.164 0.000 1.003 273 D CA 0.663 54.624 54.000 -0.065 0.000 0.917 273 D CB -0.599 40.096 40.800 -0.175 0.000 0.890 273 D HN 0.415 nan 8.370 nan 0.000 0.532 274 D N 0.519 120.908 120.400 -0.018 0.000 2.349 274 D HA -0.096 4.533 4.640 -0.019 0.000 0.224 274 D C 1.420 177.738 176.300 0.030 0.000 1.029 274 D CA 0.015 54.003 54.000 -0.020 0.000 0.879 274 D CB -0.144 40.658 40.800 0.003 0.000 0.906 274 D HN 0.314 nan 8.370 nan 0.000 0.528 275 L N -0.365 120.933 121.223 0.125 0.000 2.667 275 L HA 0.222 4.551 4.340 -0.019 0.000 0.232 275 L C -0.241 176.812 176.870 0.305 0.000 1.138 275 L CA -0.348 54.609 54.840 0.194 0.000 0.921 275 L CB -0.315 41.869 42.059 0.208 0.000 1.180 275 L HN 0.114 nan 8.230 nan 0.000 0.487 276 Y N -3.147 117.165 120.300 0.020 0.000 2.774 276 Y HA 0.521 5.047 4.550 -0.040 0.000 0.346 276 Y C -1.408 174.500 175.900 0.013 0.000 1.222 276 Y CA -1.581 56.532 58.100 0.021 0.000 1.088 276 Y CB 0.676 39.154 38.460 0.030 0.000 1.354 276 Y HN -0.217 nan 8.280 nan 0.000 0.455 277 I N 3.523 124.107 120.570 0.024 0.000 2.339 277 I HA 0.273 4.432 4.170 -0.019 0.000 0.290 277 I C -0.398 175.726 176.117 0.012 0.000 0.994 277 I CA -1.080 60.172 61.300 -0.081 0.000 1.191 277 I CB 1.306 39.301 38.000 -0.008 0.000 1.343 277 I HN 0.433 nan 8.210 nan 0.000 0.458 278 K N 4.284 124.616 120.400 -0.115 0.000 2.586 278 K HA 0.003 4.312 4.320 -0.019 0.000 0.280 278 K C 0.543 177.180 176.600 0.062 0.000 0.972 278 K CA 0.145 56.450 56.287 0.030 0.000 1.040 278 K CB 0.520 33.001 32.500 -0.032 0.000 0.870 278 K HN 0.857 nan 8.250 nan 0.000 0.497 279 G N 0.674 109.522 108.800 0.080 0.000 2.666 279 G HA2 0.416 4.364 3.960 -0.019 0.000 0.207 279 G HA3 0.416 4.364 3.960 -0.019 0.000 0.207 279 G C -0.483 174.405 174.900 -0.019 0.000 1.481 279 G CA 0.027 45.128 45.100 0.001 0.000 1.071 279 G HN 0.703 nan 8.290 nan 0.000 0.572 280 S N -3.754 111.915 115.700 -0.052 0.000 2.622 280 S HA 0.552 5.010 4.470 -0.019 0.000 0.275 280 S C 0.465 175.033 174.600 -0.054 0.000 1.112 280 S CA 0.266 58.443 58.200 -0.038 0.000 0.837 280 S CB 0.893 64.076 63.200 -0.027 0.000 1.082 280 S HN 2.549 nan 8.310 nan 0.000 0.456 281 G N 2.709 111.488 108.800 -0.034 0.000 2.620 281 G HA2 -0.383 3.565 3.960 -0.019 0.000 0.315 281 G HA3 -0.383 3.565 3.960 -0.019 0.000 0.315 281 G C 1.334 176.210 174.900 -0.039 0.000 1.179 281 G CA 2.006 47.088 45.100 -0.029 0.000 0.971 281 G HN 2.283 nan 8.290 nan 0.000 0.544 282 S N -0.433 115.232 115.700 -0.059 0.000 2.357 282 S HA -0.015 4.443 4.470 -0.019 0.000 0.221 282 S C 2.253 176.724 174.600 -0.215 0.000 1.031 282 S CA 2.589 60.753 58.200 -0.061 0.000 0.982 282 S CB -0.959 62.228 63.200 -0.022 0.000 0.853 282 S HN 2.018 nan 8.310 nan 0.000 0.458 283 T N -0.660 113.671 114.554 -0.371 0.000 3.361 283 T HA 0.546 4.884 4.350 -0.019 0.000 0.251 283 T C 1.485 176.052 174.700 -0.221 0.000 1.131 283 T CA 0.385 62.147 62.100 -0.563 0.000 1.001 283 T CB -0.232 68.352 68.868 -0.473 0.000 1.003 283 T HN 0.489 nan 8.240 nan 0.000 0.558 284 A N 2.236 124.990 122.820 -0.110 0.000 1.897 284 A HA 0.117 4.425 4.320 -0.019 0.000 0.215 284 A C 1.018 178.612 177.584 0.016 0.000 1.181 284 A CA 0.433 52.454 52.037 -0.026 0.000 0.620 284 A CB -0.445 18.549 19.000 -0.011 0.000 0.821 284 A HN 0.683 nan 8.150 nan 0.000 0.443 285 N N 0.154 118.871 118.700 0.028 0.000 2.422 285 N HA 0.456 5.185 4.740 -0.019 0.000 0.266 285 N C -1.261 174.323 175.510 0.124 0.000 1.007 285 N CA -0.678 52.416 53.050 0.072 0.000 0.941 285 N CB 1.389 39.923 38.487 0.078 0.000 1.115 285 N HN 0.132 nan 8.380 nan 0.000 0.492 286 L N 2.530 123.805 121.223 0.085 0.000 2.499 286 L HA 0.174 4.503 4.340 -0.019 0.000 0.273 286 L C 0.588 177.510 176.870 0.087 0.000 1.195 286 L CA 0.310 55.194 54.840 0.073 0.000 0.882 286 L CB 0.064 42.086 42.059 -0.063 0.000 1.133 286 L HN 0.600 nan 8.230 nan 0.000 0.483 287 A N 3.046 125.937 122.820 0.118 0.000 2.313 287 A HA 0.415 4.724 4.320 -0.019 0.000 0.261 287 A C 0.382 177.908 177.584 -0.097 0.000 1.090 287 A CA -0.265 51.749 52.037 -0.037 0.000 0.807 287 A CB 0.277 19.142 19.000 -0.225 0.000 1.055 287 A HN 0.720 nan 8.150 nan 0.000 0.492 288 S N 0.304 115.928 115.700 -0.127 0.000 2.546 288 S HA 0.156 4.614 4.470 -0.019 0.000 0.290 288 S C 0.962 175.351 174.600 -0.351 0.000 1.262 288 S CA 0.198 58.293 58.200 -0.175 0.000 1.083 288 S CB -0.224 62.897 63.200 -0.132 0.000 0.859 288 S HN 1.438 nan 8.310 nan 0.000 0.495 289 S N 3.333 118.793 115.700 -0.399 0.000 2.537 289 S HA 0.266 4.725 4.470 -0.019 0.000 0.246 289 S C -0.033 174.155 174.600 -0.686 0.000 1.036 289 S CA -0.707 57.044 58.200 -0.749 0.000 1.041 289 S CB -0.638 62.377 63.200 -0.309 0.000 0.799 289 S HN 0.782 nan 8.310 nan 0.000 0.456 290 N N 1.865 120.292 118.700 -0.455 0.000 3.229 290 N HA 0.271 5.000 4.740 -0.019 0.000 0.275 290 N C -1.261 174.215 175.510 -0.057 0.000 1.225 290 N CA -0.435 52.516 53.050 -0.166 0.000 1.119 290 N CB 0.304 38.752 38.487 -0.065 0.000 1.392 290 N HN 0.433 nan 8.380 nan 0.000 0.520 291 Y N 1.218 121.597 120.300 0.132 0.000 2.301 291 Y HA 0.322 4.857 4.550 -0.025 0.000 0.328 291 Y C 0.200 176.256 175.900 0.260 0.000 1.242 291 Y CA -0.778 57.416 58.100 0.157 0.000 1.323 291 Y CB 0.436 38.931 38.460 0.058 0.000 1.266 291 Y HN 0.200 nan 8.280 nan 0.000 0.527 292 F N 1.549 121.657 119.950 0.263 0.000 2.596 292 F HA 0.770 5.286 4.527 -0.019 0.000 0.311 292 F C -3.472 172.396 175.800 0.115 0.000 1.116 292 F CA -2.814 55.299 58.000 0.188 0.000 0.957 292 F CB 1.918 41.067 39.000 0.248 0.000 1.250 292 F HN 0.142 nan 8.300 nan 0.000 0.444 293 P HA 0.341 nan 4.420 nan 0.000 0.285 293 P C -1.090 176.077 177.300 -0.222 0.000 1.280 293 P CA -0.359 62.583 63.100 -0.262 0.000 0.862 293 P CB 2.176 33.765 31.700 -0.185 0.000 1.153 294 T N 3.324 117.694 114.554 -0.307 0.000 2.767 294 T HA 0.391 4.730 4.350 -0.019 0.000 0.288 294 T C -2.059 172.511 174.700 -0.217 0.000 0.963 294 T CA -1.253 60.762 62.100 -0.143 0.000 1.019 294 T CB 0.797 69.583 68.868 -0.137 0.000 0.923 294 T HN 0.395 nan 8.240 nan 0.000 0.468 295 P HA 0.420 nan 4.420 nan 0.000 0.277 295 P C -0.838 176.295 177.300 -0.278 0.000 1.271 295 P CA -0.621 62.333 63.100 -0.242 0.000 0.795 295 P CB 0.981 32.578 31.700 -0.172 0.000 1.101 296 S N -0.815 114.632 115.700 -0.423 0.000 2.550 296 S HA 0.472 4.931 4.470 -0.019 0.000 0.274 296 S C -0.566 173.825 174.600 -0.349 0.000 1.110 296 S CA -0.652 57.250 58.200 -0.496 0.000 1.013 296 S CB -0.428 62.171 63.200 -1.002 0.000 1.152 296 S HN 0.637 nan 8.310 nan 0.000 0.450 297 G N 3.140 111.897 108.800 -0.071 0.000 2.338 297 G HA2 0.453 4.402 3.960 -0.019 0.000 0.295 297 G HA3 0.453 4.402 3.960 -0.019 0.000 0.295 297 G C 0.608 175.576 174.900 0.113 0.000 1.132 297 G CA -0.040 45.091 45.100 0.052 0.000 0.922 297 G HN 0.771 nan 8.290 nan 0.000 0.427 298 S N 2.571 118.414 115.700 0.237 0.000 2.873 298 S HA 0.031 4.489 4.470 -0.019 0.000 0.248 298 S C 1.287 175.975 174.600 0.147 0.000 1.454 298 S CA -0.061 58.302 58.200 0.272 0.000 1.067 298 S CB -0.103 63.246 63.200 0.248 0.000 0.785 298 S HN 0.651 nan 8.310 nan 0.000 0.472 299 M N 1.662 121.328 119.600 0.110 0.000 2.248 299 M HA 0.332 4.800 4.480 -0.019 0.000 0.337 299 M C -0.755 175.586 176.300 0.068 0.000 1.121 299 M CA -0.417 54.927 55.300 0.074 0.000 1.155 299 M CB 0.562 33.192 32.600 0.050 0.000 1.514 299 M HN 0.431 nan 8.290 nan 0.000 0.452 300 V N 1.640 121.590 119.914 0.060 0.000 2.630 300 V HA 0.890 4.999 4.120 -0.019 0.000 0.305 300 V C -0.337 175.784 176.094 0.046 0.000 1.046 300 V CA -0.530 61.805 62.300 0.060 0.000 0.934 300 V CB 1.313 33.176 31.823 0.067 0.000 1.003 300 V HN 0.933 nan 8.190 nan 0.000 0.451 301 T N 1.146 115.726 114.554 0.042 0.000 2.900 301 T HA 0.434 4.772 4.350 -0.019 0.000 0.303 301 T C 0.827 175.544 174.700 0.029 0.000 1.142 301 T CA 0.318 62.436 62.100 0.030 0.000 1.007 301 T CB 2.049 70.930 68.868 0.022 0.000 1.156 301 T HN 0.751 nan 8.240 nan 0.000 0.490 302 S N 1.926 117.639 115.700 0.022 0.000 2.348 302 S HA -0.092 4.367 4.470 -0.019 0.000 0.221 302 S C 1.496 176.103 174.600 0.011 0.000 1.033 302 S CA 1.434 59.645 58.200 0.018 0.000 1.010 302 S CB -0.440 62.767 63.200 0.012 0.000 0.891 302 S HN 0.853 nan 8.310 nan 0.000 0.442 303 D N 1.943 122.347 120.400 0.006 0.000 2.280 303 D HA -0.102 4.527 4.640 -0.019 0.000 0.206 303 D C 1.534 177.832 176.300 -0.003 0.000 0.988 303 D CA 1.229 55.230 54.000 0.000 0.000 0.886 303 D CB -0.210 40.590 40.800 0.000 0.000 0.914 303 D HN 0.474 nan 8.370 nan 0.000 0.473 304 A N 0.225 123.045 122.820 0.001 0.000 2.308 304 A HA 0.008 4.317 4.320 -0.019 0.000 0.217 304 A C 0.973 178.544 177.584 -0.023 0.000 1.216 304 A CA -0.169 51.864 52.037 -0.007 0.000 0.864 304 A CB 0.205 19.208 19.000 0.006 0.000 0.902 304 A HN -0.047 nan 8.150 nan 0.000 0.499 305 Q N -0.065 119.725 119.800 -0.015 0.000 2.349 305 Q HA 0.097 4.426 4.340 -0.019 0.000 0.287 305 Q C 0.724 176.647 176.000 -0.128 0.000 1.044 305 Q CA 0.218 56.001 55.803 -0.033 0.000 0.918 305 Q CB 0.849 29.599 28.738 0.020 0.000 1.242 305 Q HN 0.366 nan 8.270 nan 0.000 0.405 306 I N 1.067 121.432 120.570 -0.342 0.000 3.790 306 I HA 0.053 4.212 4.170 -0.019 0.000 0.305 306 I C 0.591 176.438 176.117 -0.451 0.000 1.253 306 I CA 0.501 61.504 61.300 -0.497 0.000 1.355 306 I CB 0.067 37.554 38.000 -0.856 0.000 1.137 306 I HN 0.396 nan 8.210 nan 0.000 0.435 307 F N 1.082 121.090 119.950 0.098 0.000 2.403 307 F HA 0.347 4.863 4.527 -0.019 0.000 0.326 307 F C 1.279 177.039 175.800 -0.065 0.000 1.099 307 F CA -0.722 57.296 58.000 0.030 0.000 1.036 307 F CB 0.067 39.072 39.000 0.009 0.000 1.336 307 F HN -0.034 nan 8.300 nan 0.000 0.497 308 N N 0.410 119.147 118.700 0.061 0.000 2.735 308 N HA -0.212 4.517 4.740 -0.019 0.000 0.248 308 N C -1.092 174.348 175.510 -0.115 0.000 1.083 308 N CA 0.729 53.747 53.050 -0.053 0.000 0.703 308 N CB -1.001 37.480 38.487 -0.010 0.000 1.005 308 N HN 0.592 nan 8.380 nan 0.000 0.550 309 K N -0.160 120.109 120.400 -0.218 0.000 2.498 309 K HA 0.458 4.767 4.320 -0.019 0.000 0.254 309 K C -2.645 173.617 176.600 -0.565 0.000 0.933 309 K CA -1.385 54.746 56.287 -0.260 0.000 0.806 309 K CB 3.101 35.525 32.500 -0.126 0.000 1.301 309 K HN -0.165 nan 8.250 nan 0.000 0.432 310 P HA 0.184 nan 4.420 nan 0.000 0.286 310 P C -1.374 175.308 177.300 -1.031 0.000 1.261 310 P CA -0.357 62.163 63.100 -0.967 0.000 0.821 310 P CB 0.546 31.628 31.700 -1.030 0.000 1.013 311 Y N 0.565 120.329 120.300 -0.894 0.000 2.328 311 Y HA 0.316 4.855 4.550 -0.019 0.000 0.337 311 Y C -0.045 175.395 175.900 -0.766 0.000 0.966 311 Y CA -0.932 56.702 58.100 -0.776 0.000 1.136 311 Y CB 1.294 39.290 38.460 -0.773 0.000 1.170 311 Y HN 0.323 nan 8.280 nan 0.000 0.470 312 W N 5.540 126.797 121.300 -0.073 0.000 2.317 312 W HA 0.441 5.089 4.660 -0.019 0.000 0.327 312 W C -0.561 175.892 176.519 -0.110 0.000 1.036 312 W CA -0.779 56.527 57.345 -0.065 0.000 1.419 312 W CB 0.615 30.076 29.460 0.003 0.000 1.253 312 W HN 0.416 nan 8.180 nan 0.000 0.392 313 L N 4.705 125.968 121.223 0.066 0.000 2.511 313 L HA 0.014 4.342 4.340 -0.019 0.000 0.239 313 L C 1.635 178.540 176.870 0.059 0.000 1.400 313 L CA 0.140 54.980 54.840 0.000 0.000 1.226 313 L CB -0.592 41.444 42.059 -0.039 0.000 1.475 313 L HN 0.609 nan 8.230 nan 0.000 0.428 314 Q N 0.301 120.162 119.800 0.101 0.000 2.061 314 Q HA 0.020 4.348 4.340 -0.019 0.000 0.195 314 Q C 0.650 176.680 176.000 0.051 0.000 0.967 314 Q CA 0.483 56.333 55.803 0.079 0.000 0.829 314 Q CB 0.103 28.891 28.738 0.083 0.000 0.900 314 Q HN 0.382 nan 8.270 nan 0.000 0.450 315 R N 0.793 121.332 120.500 0.065 0.000 2.337 315 R HA 0.558 4.886 4.340 -0.019 0.000 0.319 315 R C -1.383 174.965 176.300 0.081 0.000 0.954 315 R CA -0.012 56.124 56.100 0.060 0.000 0.840 315 R CB 1.849 32.183 30.300 0.057 0.000 1.164 315 R HN 0.353 nan 8.270 nan 0.000 0.472 316 A N 2.095 124.962 122.820 0.078 0.000 2.316 316 A HA 0.197 4.505 4.320 -0.019 0.000 0.284 316 A C 0.490 178.140 177.584 0.110 0.000 1.115 316 A CA -0.621 51.491 52.037 0.125 0.000 0.812 316 A CB 0.826 19.902 19.000 0.126 0.000 1.064 316 A HN 0.782 nan 8.150 nan 0.000 0.489 317 Q N 1.379 121.251 119.800 0.121 0.000 2.389 317 Q HA 0.219 4.547 4.340 -0.019 0.000 0.204 317 Q C 0.802 176.831 176.000 0.047 0.000 0.944 317 Q CA 0.869 56.717 55.803 0.075 0.000 0.908 317 Q CB -0.739 28.043 28.738 0.073 0.000 1.002 317 Q HN 0.697 nan 8.270 nan 0.000 0.493 318 G N -0.862 107.999 108.800 0.101 0.000 2.535 318 G HA2 0.280 4.229 3.960 -0.019 0.000 0.303 318 G HA3 0.280 4.229 3.960 -0.019 0.000 0.303 318 G C -0.505 174.450 174.900 0.092 0.000 1.237 318 G CA -0.569 44.577 45.100 0.076 0.000 0.986 318 G HN 0.322 nan 8.290 nan 0.000 0.494 319 H N -1.029 118.171 119.070 0.217 0.000 2.470 319 H HA 0.008 4.553 4.556 -0.019 0.000 0.289 319 H C 0.812 176.295 175.328 0.258 0.000 1.033 319 H CA 0.310 56.496 56.048 0.231 0.000 1.331 319 H CB 0.432 30.361 29.762 0.279 0.000 1.414 319 H HN 0.307 nan 8.280 nan 0.000 0.545 320 N N 1.533 120.490 118.700 0.429 0.000 2.402 320 N HA -0.083 4.645 4.740 -0.019 0.000 0.252 320 N C -0.783 174.814 175.510 0.146 0.000 1.118 320 N CA -0.008 53.265 53.050 0.372 0.000 0.945 320 N CB 0.083 38.886 38.487 0.527 0.000 1.147 320 N HN 0.157 nan 8.380 nan 0.000 0.495 321 N N 3.129 121.829 118.700 0.000 0.000 3.303 321 N HA 0.143 4.872 4.740 -0.019 0.000 0.304 321 N C 0.441 175.710 175.510 -0.401 0.000 1.302 321 N CA 0.471 53.441 53.050 -0.134 0.000 1.213 321 N CB -0.648 37.801 38.487 -0.063 0.000 1.481 321 N HN 0.816 nan 8.380 nan 0.000 0.546 322 G N 1.433 109.655 108.800 -0.965 0.000 2.160 322 G HA2 -0.230 3.719 3.960 -0.019 0.000 0.251 322 G HA3 -0.230 3.719 3.960 -0.019 0.000 0.251 322 G C 0.108 174.598 174.900 -0.682 0.000 1.008 322 G CA -0.282 43.935 45.100 -1.471 0.000 0.724 322 G HN 0.411 nan 8.290 nan 0.000 0.514 323 I N 0.529 120.801 120.570 -0.496 0.000 2.441 323 I HA 0.217 4.376 4.170 -0.019 0.000 0.287 323 I C 1.070 176.969 176.117 -0.362 0.000 1.049 323 I CA -1.026 59.970 61.300 -0.507 0.000 1.381 323 I CB 0.934 38.392 38.000 -0.904 0.000 1.409 323 I HN 0.144 nan 8.210 nan 0.000 0.523 324 C N 6.419 125.611 119.300 -0.180 0.000 2.560 324 C HA 0.212 4.661 4.460 -0.019 0.000 0.506 324 C C 0.383 175.399 174.990 0.043 0.000 1.116 324 C CA -1.108 57.942 59.018 0.053 0.000 1.425 324 C CB -2.169 25.670 27.740 0.166 0.000 1.543 324 C HN 0.622 nan 8.230 nan 0.000 0.586 325 W N 0.543 121.947 121.300 0.172 0.000 2.314 325 W HA 0.354 5.003 4.660 -0.019 0.000 0.339 325 W C 1.379 177.925 176.519 0.044 0.000 1.293 325 W CA 1.435 58.827 57.345 0.079 0.000 1.288 325 W CB 0.200 29.684 29.460 0.040 0.000 1.186 325 W HN 0.883 nan 8.180 nan 0.000 0.566 326 G N 2.249 111.195 108.800 0.243 0.000 2.162 326 G HA2 -0.419 3.530 3.960 -0.019 0.000 0.260 326 G HA3 -0.419 3.530 3.960 -0.019 0.000 0.260 326 G C 0.447 175.421 174.900 0.124 0.000 0.976 326 G CA 0.084 45.261 45.100 0.128 0.000 0.655 326 G HN 0.818 nan 8.290 nan 0.000 0.533 327 N N -0.853 117.933 118.700 0.142 0.000 2.725 327 N HA -0.173 4.556 4.740 -0.019 0.000 0.249 327 N C 0.342 175.868 175.510 0.026 0.000 1.103 327 N CA 2.002 55.115 53.050 0.105 0.000 0.707 327 N CB -0.870 37.681 38.487 0.107 0.000 1.043 327 N HN 0.864 nan 8.380 nan 0.000 0.553 328 Q N -0.260 119.560 119.800 0.034 0.000 2.306 328 Q HA 0.750 5.079 4.340 -0.019 0.000 0.269 328 Q C -0.598 175.368 176.000 -0.056 0.000 1.053 328 Q CA -0.705 55.054 55.803 -0.072 0.000 0.879 328 Q CB 2.202 30.929 28.738 -0.018 0.000 1.344 328 Q HN 0.205 nan 8.270 nan 0.000 0.464 329 L N 1.740 122.833 121.223 -0.218 0.000 2.705 329 L HA 0.430 4.758 4.340 -0.019 0.000 0.260 329 L C -2.077 174.620 176.870 -0.287 0.000 0.921 329 L CA -0.167 54.620 54.840 -0.089 0.000 0.948 329 L CB 1.377 43.412 42.059 -0.040 0.000 1.427 329 L HN 0.644 nan 8.230 nan 0.000 0.432 330 F N 4.044 123.950 119.950 -0.072 0.000 2.444 330 F HA 0.593 5.108 4.527 -0.019 0.000 0.342 330 F C 0.315 176.133 175.800 0.029 0.000 1.121 330 F CA -0.565 57.384 58.000 -0.085 0.000 0.997 330 F CB 2.086 40.984 39.000 -0.170 0.000 1.130 330 F HN 0.105 nan 8.300 nan 0.000 0.454 331 V N 3.285 123.365 119.914 0.277 0.000 2.349 331 V HA 0.334 4.443 4.120 -0.019 0.000 0.284 331 V C -0.348 175.963 176.094 0.361 0.000 1.014 331 V CA -0.596 61.916 62.300 0.353 0.000 0.826 331 V CB 1.493 33.572 31.823 0.427 0.000 1.009 331 V HN 0.767 nan 8.190 nan 0.000 0.431 332 T N 4.549 119.262 114.554 0.265 0.000 2.837 332 T HA 0.730 5.069 4.350 -0.019 0.000 0.285 332 T C -0.284 174.578 174.700 0.269 0.000 0.984 332 T CA -0.375 61.848 62.100 0.205 0.000 1.049 332 T CB 1.853 70.801 68.868 0.134 0.000 0.947 332 T HN 0.333 nan 8.240 nan 0.000 0.472 333 V N 2.748 122.809 119.914 0.244 0.000 3.049 333 V HA 0.703 4.812 4.120 -0.019 0.000 0.309 333 V C -0.946 175.270 176.094 0.204 0.000 1.148 333 V CA -0.752 61.722 62.300 0.290 0.000 0.990 333 V CB 2.552 34.595 31.823 0.367 0.000 1.039 333 V HN 0.701 nan 8.190 nan 0.000 0.430 334 V N 2.314 122.349 119.914 0.201 0.000 2.655 334 V HA 0.551 4.660 4.120 -0.019 0.000 0.301 334 V C -1.663 174.544 176.094 0.188 0.000 1.082 334 V CA -0.380 61.969 62.300 0.082 0.000 0.899 334 V CB 2.025 33.780 31.823 -0.113 0.000 1.014 334 V HN 0.980 nan 8.190 nan 0.000 0.429 335 D N 2.690 123.169 120.400 0.131 0.000 2.479 335 D HA 0.377 5.005 4.640 -0.019 0.000 0.246 335 D C 0.606 176.983 176.300 0.129 0.000 1.336 335 D CA 0.055 54.150 54.000 0.158 0.000 0.967 335 D CB 2.068 42.818 40.800 -0.083 0.000 1.275 335 D HN 0.611 nan 8.370 nan 0.000 0.577 336 T N -0.476 114.166 114.554 0.146 0.000 3.186 336 T HA 0.072 4.410 4.350 -0.019 0.000 0.257 336 T C 1.182 175.960 174.700 0.130 0.000 1.029 336 T CA 0.315 62.492 62.100 0.129 0.000 0.916 336 T CB -0.229 68.714 68.868 0.125 0.000 1.041 336 T HN 0.293 nan 8.240 nan 0.000 0.562 337 T N -0.617 114.019 114.554 0.138 0.000 3.188 337 T HA 0.333 4.671 4.350 -0.019 0.000 0.250 337 T C 0.952 175.708 174.700 0.093 0.000 1.077 337 T CA -0.582 61.590 62.100 0.120 0.000 0.967 337 T CB -0.231 68.722 68.868 0.141 0.000 1.006 337 T HN 0.404 nan 8.240 nan 0.000 0.552 338 R N 0.615 121.173 120.500 0.096 0.000 2.569 338 R HA 0.193 4.521 4.340 -0.019 0.000 0.429 338 R C 0.886 177.284 176.300 0.164 0.000 0.994 338 R CA 0.169 56.313 56.100 0.074 0.000 1.089 338 R CB 0.544 30.852 30.300 0.012 0.000 1.420 338 R HN 0.422 nan 8.270 nan 0.000 0.615 339 S N -1.009 114.810 115.700 0.199 0.000 2.671 339 S HA 0.011 4.469 4.470 -0.019 0.000 0.220 339 S C 0.792 175.575 174.600 0.306 0.000 0.951 339 S CA -0.224 58.162 58.200 0.309 0.000 0.932 339 S CB 0.067 63.352 63.200 0.142 0.000 0.777 339 S HN 0.030 nan 8.310 nan 0.000 0.508 340 T N 4.204 118.865 114.554 0.178 0.000 2.849 340 T HA 0.036 4.375 4.350 -0.019 0.000 0.289 340 T C 0.042 174.831 174.700 0.148 0.000 1.010 340 T CA 0.538 62.699 62.100 0.101 0.000 1.161 340 T CB -0.254 68.624 68.868 0.017 0.000 0.989 340 T HN 0.536 nan 8.240 nan 0.000 0.523 341 N N 2.853 121.619 118.700 0.109 0.000 2.405 341 N HA 0.545 5.273 4.740 -0.019 0.000 0.299 341 N C -0.116 175.381 175.510 -0.020 0.000 1.075 341 N CA -0.809 52.277 53.050 0.059 0.000 0.884 341 N CB 1.183 39.651 38.487 -0.032 0.000 1.194 341 N HN 0.586 nan 8.380 nan 0.000 0.491 342 M N -0.288 119.281 119.600 -0.052 0.000 2.227 342 M HA 0.501 4.970 4.480 -0.019 0.000 0.335 342 M C -0.785 175.486 176.300 -0.048 0.000 1.053 342 M CA -0.847 54.425 55.300 -0.047 0.000 0.973 342 M CB 1.568 34.138 32.600 -0.049 0.000 1.623 342 M HN 0.378 nan 8.290 nan 0.000 0.434 343 S N 5.517 121.201 115.700 -0.026 0.000 2.475 343 S HA 0.746 5.204 4.470 -0.019 0.000 0.281 343 S C -0.407 174.208 174.600 0.025 0.000 1.198 343 S CA -0.918 57.281 58.200 -0.001 0.000 1.063 343 S CB 0.684 63.889 63.200 0.007 0.000 0.972 343 S HN 0.834 nan 8.310 nan 0.000 0.486 344 L N 1.421 122.683 121.223 0.065 0.000 2.381 344 L HA 0.856 5.185 4.340 -0.019 0.000 0.274 344 L C -0.476 176.501 176.870 0.178 0.000 0.988 344 L CA -1.033 53.851 54.840 0.073 0.000 0.824 344 L CB 1.062 43.134 42.059 0.021 0.000 1.263 344 L HN 0.880 nan 8.230 nan 0.000 0.410 345 C N 1.636 121.036 119.300 0.167 0.000 2.455 345 C HA 0.992 5.440 4.460 -0.019 0.000 0.320 345 C C 0.450 175.590 174.990 0.251 0.000 1.226 345 C CA -0.169 59.009 59.018 0.267 0.000 1.569 345 C CB 0.828 28.693 27.740 0.208 0.000 2.200 345 C HN 1.158 nan 8.230 nan 0.000 0.491 346 A N 2.892 125.901 122.820 0.315 0.000 2.324 346 A HA 0.879 5.188 4.320 -0.019 0.000 0.330 346 A C 0.256 178.020 177.584 0.300 0.000 1.165 346 A CA 0.004 52.191 52.037 0.250 0.000 0.813 346 A CB 0.824 19.923 19.000 0.166 0.000 1.197 346 A HN 2.206 nan 8.150 nan 0.000 0.484 347 A N 1.330 124.306 122.820 0.259 0.000 2.354 347 A HA 0.518 4.827 4.320 -0.019 0.000 0.269 347 A C 0.801 178.346 177.584 -0.065 0.000 1.109 347 A CA -0.327 51.742 52.037 0.054 0.000 0.800 347 A CB 0.096 19.145 19.000 0.081 0.000 1.045 347 A HN 1.177 nan 8.150 nan 0.000 0.489 348 I N 1.242 121.693 120.570 -0.198 0.000 2.716 348 I HA 0.028 4.186 4.170 -0.019 0.000 0.259 348 I C 0.805 176.850 176.117 -0.120 0.000 1.172 348 I CA 1.158 62.385 61.300 -0.121 0.000 1.478 348 I CB 0.196 38.115 38.000 -0.134 0.000 1.104 348 I HN 0.572 nan 8.210 nan 0.000 0.439 349 S N -1.123 114.467 115.700 -0.182 0.000 2.548 349 S HA 0.328 4.786 4.470 -0.019 0.000 0.276 349 S C 0.304 174.837 174.600 -0.111 0.000 1.129 349 S CA -0.221 57.902 58.200 -0.129 0.000 0.931 349 S CB 1.326 64.444 63.200 -0.137 0.000 1.068 349 S HN 0.253 nan 8.310 nan 0.000 0.480 350 T N 1.209 115.735 114.554 -0.045 0.000 3.251 350 T HA 0.330 4.669 4.350 -0.019 0.000 0.259 350 T C 0.903 175.603 174.700 0.001 0.000 0.998 350 T CA -0.226 61.872 62.100 -0.003 0.000 0.905 350 T CB -0.065 68.814 68.868 0.018 0.000 1.067 350 T HN 0.341 nan 8.240 nan 0.000 0.569 351 S N 1.743 117.431 115.700 -0.020 0.000 2.566 351 S HA 0.175 4.634 4.470 -0.019 0.000 0.166 351 S C 0.118 174.718 174.600 0.001 0.000 0.811 351 S CA -0.417 57.776 58.200 -0.010 0.000 0.940 351 S CB -0.389 62.797 63.200 -0.022 0.000 0.768 351 S HN 0.653 nan 8.310 nan 0.000 0.534 352 E N 2.676 122.868 120.200 -0.014 0.000 2.892 352 E HA -0.041 4.297 4.350 -0.019 0.000 0.273 352 E C 0.477 177.097 176.600 0.034 0.000 0.921 352 E CA 0.717 57.118 56.400 0.000 0.000 0.968 352 E CB -0.352 29.335 29.700 -0.022 0.000 0.941 352 E HN 0.571 nan 8.360 nan 0.000 0.492 353 T N -0.767 113.814 114.554 0.045 0.000 3.244 353 T HA 0.159 4.498 4.350 -0.019 0.000 0.254 353 T C 0.068 174.821 174.700 0.088 0.000 1.024 353 T CA -0.557 61.584 62.100 0.069 0.000 0.920 353 T CB -0.087 68.812 68.868 0.052 0.000 1.042 353 T HN 0.294 nan 8.240 nan 0.000 0.572 354 T N 1.920 116.527 114.554 0.088 0.000 2.841 354 T HA 0.362 4.700 4.350 -0.019 0.000 0.285 354 T C -1.104 173.686 174.700 0.150 0.000 0.991 354 T CA -0.641 61.526 62.100 0.112 0.000 0.966 354 T CB 1.042 69.953 68.868 0.072 0.000 0.962 354 T HN 0.325 nan 8.240 nan 0.000 0.438 355 Y N 3.373 123.747 120.300 0.124 0.000 2.712 355 Y HA 0.238 4.777 4.550 -0.019 0.000 0.333 355 Y C 0.274 176.274 175.900 0.167 0.000 1.225 355 Y CA 0.418 58.639 58.100 0.201 0.000 1.499 355 Y CB 0.328 38.867 38.460 0.131 0.000 1.288 355 Y HN 0.471 nan 8.280 nan 0.000 0.575 356 K N 5.214 125.319 120.400 -0.492 0.000 2.601 356 K HA 0.182 4.491 4.320 -0.019 0.000 0.249 356 K C 0.043 176.367 176.600 -0.459 0.000 0.966 356 K CA -0.617 55.481 56.287 -0.316 0.000 0.827 356 K CB 1.431 33.810 32.500 -0.203 0.000 1.178 356 K HN 0.689 nan 8.250 nan 0.000 0.437 357 N N 0.131 118.710 118.700 -0.201 0.000 2.205 357 N HA -0.211 4.518 4.740 -0.019 0.000 0.186 357 N C 1.557 177.055 175.510 -0.019 0.000 1.015 357 N CA 1.999 55.050 53.050 0.002 0.000 0.862 357 N CB 0.024 38.601 38.487 0.150 0.000 0.986 357 N HN 0.669 nan 8.380 nan 0.000 0.429 358 T N -2.089 112.416 114.554 -0.082 0.000 2.995 358 T HA -0.064 4.275 4.350 -0.019 0.000 0.269 358 T C 1.527 176.120 174.700 -0.177 0.000 1.091 358 T CA 0.997 63.042 62.100 -0.092 0.000 1.128 358 T CB -0.258 68.562 68.868 -0.081 0.000 0.891 358 T HN 0.128 nan 8.240 nan 0.000 0.492 359 N N 0.356 118.854 118.700 -0.338 0.000 2.463 359 N HA 0.123 4.852 4.740 -0.019 0.000 0.181 359 N C -0.727 174.295 175.510 -0.813 0.000 1.078 359 N CA 0.046 52.729 53.050 -0.611 0.000 0.902 359 N CB -0.191 37.786 38.487 -0.849 0.000 0.970 359 N HN 0.490 nan 8.380 nan 0.000 0.451 360 F N 0.325 120.215 119.950 -0.098 0.000 2.507 360 F HA 0.447 4.963 4.527 -0.019 0.000 0.325 360 F C 0.082 175.879 175.800 -0.004 0.000 1.116 360 F CA -1.055 56.932 58.000 -0.022 0.000 0.930 360 F CB 1.702 40.710 39.000 0.012 0.000 1.146 360 F HN -0.387 nan 8.300 nan 0.000 0.447 361 K N 3.108 123.622 120.400 0.190 0.000 2.267 361 K HA 0.235 4.544 4.320 -0.019 0.000 0.282 361 K C -0.442 176.166 176.600 0.013 0.000 1.078 361 K CA -0.588 55.722 56.287 0.039 0.000 0.903 361 K CB 0.825 33.372 32.500 0.078 0.000 1.111 361 K HN 0.482 nan 8.250 nan 0.000 0.475 362 E N 2.838 122.966 120.200 -0.119 0.000 2.259 362 E HA 0.193 4.532 4.350 -0.019 0.000 0.281 362 E C -0.722 175.735 176.600 -0.238 0.000 1.027 362 E CA -0.102 56.271 56.400 -0.045 0.000 0.838 362 E CB 0.896 30.603 29.700 0.011 0.000 1.066 362 E HN 0.345 nan 8.360 nan 0.000 0.401 363 Y N 0.690 121.022 120.300 0.052 0.000 2.698 363 Y HA 0.561 5.100 4.550 -0.019 0.000 0.332 363 Y C -0.024 175.849 175.900 -0.046 0.000 1.119 363 Y CA -0.962 57.159 58.100 0.034 0.000 1.109 363 Y CB 1.456 39.940 38.460 0.040 0.000 1.308 363 Y HN 0.244 nan 8.280 nan 0.000 0.499 364 L N 1.921 123.169 121.223 0.043 0.000 2.431 364 L HA 0.672 5.000 4.340 -0.019 0.000 0.266 364 L C -0.908 175.770 176.870 -0.319 0.000 0.978 364 L CA -0.888 53.813 54.840 -0.231 0.000 0.822 364 L CB 2.086 43.833 42.059 -0.520 0.000 1.310 364 L HN 0.544 nan 8.230 nan 0.000 0.409 365 R N 1.368 121.735 120.500 -0.222 0.000 2.740 365 R HA 0.528 4.856 4.340 -0.019 0.000 0.273 365 R C -1.571 174.682 176.300 -0.079 0.000 0.998 365 R CA -0.860 55.149 56.100 -0.152 0.000 0.900 365 R CB 2.516 32.771 30.300 -0.075 0.000 1.223 365 R HN 0.603 nan 8.270 nan 0.000 0.466 366 H N -0.254 118.735 119.070 -0.134 0.000 2.771 366 H HA 0.555 5.099 4.556 -0.019 0.000 0.361 366 H C -1.173 174.142 175.328 -0.020 0.000 1.108 366 H CA -0.360 55.639 56.048 -0.082 0.000 1.201 366 H CB 2.314 32.021 29.762 -0.093 0.000 1.681 366 H HN 0.781 nan 8.280 nan 0.000 0.534 367 G N 2.578 111.108 108.800 -0.450 0.000 2.452 367 G HA2 0.419 4.367 3.960 -0.019 0.000 0.324 367 G HA3 0.419 4.367 3.960 -0.019 0.000 0.324 367 G C -1.145 173.632 174.900 -0.205 0.000 1.214 367 G CA -0.509 44.477 45.100 -0.191 0.000 0.947 367 G HN 0.520 nan 8.290 nan 0.000 0.478 368 E N -0.039 120.204 120.200 0.073 0.000 2.222 368 E HA 0.472 4.811 4.350 -0.019 0.000 0.267 368 E C -1.015 175.680 176.600 0.159 0.000 0.884 368 E CA -0.624 55.869 56.400 0.156 0.000 0.764 368 E CB 2.126 32.065 29.700 0.398 0.000 1.169 368 E HN 0.487 nan 8.360 nan 0.000 0.413 369 E N 3.393 123.595 120.200 0.004 0.000 2.216 369 E HA 0.314 4.653 4.350 -0.019 0.000 0.260 369 E C -1.407 175.085 176.600 -0.182 0.000 0.880 369 E CA -0.540 55.856 56.400 -0.006 0.000 0.765 369 E CB 0.723 30.392 29.700 -0.052 0.000 1.174 369 E HN 0.445 nan 8.360 nan 0.000 0.417 370 Y N 1.688 121.938 120.300 -0.082 0.000 2.630 370 Y HA 0.446 4.984 4.550 -0.019 0.000 0.337 370 Y C -0.522 175.259 175.900 -0.199 0.000 1.051 370 Y CA -0.869 57.120 58.100 -0.186 0.000 1.121 370 Y CB 2.124 40.397 38.460 -0.310 0.000 1.299 370 Y HN 0.531 nan 8.280 nan 0.000 0.498 371 D N 0.944 121.300 120.400 -0.072 0.000 2.312 371 D HA 0.316 4.945 4.640 -0.019 0.000 0.229 371 D C -1.961 174.225 176.300 -0.190 0.000 1.337 371 D CA -0.179 53.752 54.000 -0.115 0.000 0.964 371 D CB 0.391 41.141 40.800 -0.083 0.000 1.456 371 D HN 0.421 nan 8.370 nan 0.000 0.547 372 L N 2.682 123.756 121.223 -0.249 0.000 2.326 372 L HA 0.548 4.876 4.340 -0.019 0.000 0.278 372 L C 0.125 176.789 176.870 -0.342 0.000 1.092 372 L CA -0.495 54.134 54.840 -0.353 0.000 0.810 372 L CB 1.369 43.258 42.059 -0.283 0.000 1.153 372 L HN 0.367 nan 8.230 nan 0.000 0.439 373 Q N 3.036 122.424 119.800 -0.686 0.000 2.331 373 Q HA 0.689 5.017 4.340 -0.019 0.000 0.272 373 Q C -1.596 173.800 176.000 -1.007 0.000 1.062 373 Q CA -0.529 54.923 55.803 -0.584 0.000 0.806 373 Q CB 2.799 31.340 28.738 -0.330 0.000 1.312 373 Q HN 0.333 nan 8.270 nan 0.000 0.431 374 F N 0.868 120.435 119.950 -0.639 0.000 2.613 374 F HA 0.602 5.118 4.527 -0.019 0.000 0.314 374 F C -0.638 174.651 175.800 -0.852 0.000 1.075 374 F CA -1.119 56.434 58.000 -0.746 0.000 0.945 374 F CB 1.399 39.849 39.000 -0.917 0.000 1.310 374 F HN 0.293 nan 8.300 nan 0.000 0.467 375 I N 2.484 122.672 120.570 -0.637 0.000 2.439 375 I HA 0.353 4.511 4.170 -0.019 0.000 0.285 375 I C -1.134 174.606 176.117 -0.629 0.000 1.021 375 I CA -0.814 60.147 61.300 -0.566 0.000 1.091 375 I CB 1.092 38.715 38.000 -0.628 0.000 1.242 375 I HN 0.397 nan 8.210 nan 0.000 0.439 376 F N 3.990 123.769 119.950 -0.285 0.000 2.480 376 F HA 0.480 4.995 4.527 -0.019 0.000 0.329 376 F C 0.581 176.425 175.800 0.073 0.000 1.091 376 F CA -0.628 57.276 58.000 -0.159 0.000 0.972 376 F CB 1.674 40.412 39.000 -0.435 0.000 1.150 376 F HN 0.373 nan 8.300 nan 0.000 0.467 377 Q N 3.016 122.996 119.800 0.301 0.000 2.322 377 Q HA 0.436 4.764 4.340 -0.019 0.000 0.265 377 Q C -1.230 174.865 176.000 0.158 0.000 0.985 377 Q CA -1.188 54.633 55.803 0.031 0.000 0.849 377 Q CB 1.748 30.396 28.738 -0.151 0.000 1.274 377 Q HN 0.673 nan 8.270 nan 0.000 0.449 378 L N 3.624 124.873 121.223 0.044 0.000 2.453 378 L HA 0.230 4.558 4.340 -0.019 0.000 0.272 378 L C -1.228 175.473 176.870 -0.281 0.000 1.182 378 L CA 0.542 55.239 54.840 -0.240 0.000 0.858 378 L CB 0.644 42.429 42.059 -0.456 0.000 1.120 378 L HN 0.803 nan 8.230 nan 0.000 0.474 379 C N 3.897 123.017 119.300 -0.300 0.000 2.802 379 C HA 0.734 5.183 4.460 -0.019 0.000 0.307 379 C C -0.649 174.209 174.990 -0.220 0.000 1.222 379 C CA -1.067 57.822 59.018 -0.214 0.000 1.580 379 C CB 2.119 29.767 27.740 -0.154 0.000 2.119 379 C HN 0.894 nan 8.230 nan 0.000 0.479 380 K N 0.896 121.216 120.400 -0.134 0.000 2.375 380 K HA 0.903 5.211 4.320 -0.019 0.000 0.249 380 K C -1.757 174.837 176.600 -0.010 0.000 0.942 380 K CA -0.521 55.702 56.287 -0.107 0.000 0.806 380 K CB 1.375 33.845 32.500 -0.050 0.000 1.227 380 K HN 0.353 nan 8.250 nan 0.000 0.430 381 I N 1.606 122.174 120.570 -0.003 0.000 2.468 381 I HA 0.142 4.301 4.170 -0.019 0.000 0.284 381 I C -0.710 175.436 176.117 0.048 0.000 1.038 381 I CA -0.381 60.976 61.300 0.096 0.000 1.083 381 I CB 2.028 40.175 38.000 0.246 0.000 1.223 381 I HN 0.643 nan 8.210 nan 0.000 0.443 382 T N 6.963 121.558 114.554 0.069 0.000 2.751 382 T HA 0.254 4.593 4.350 -0.019 0.000 0.290 382 T C 0.836 175.571 174.700 0.059 0.000 0.919 382 T CA -0.235 61.892 62.100 0.045 0.000 1.136 382 T CB -0.015 68.879 68.868 0.043 0.000 0.875 382 T HN 0.321 nan 8.240 nan 0.000 0.532 383 L N 4.963 126.209 121.223 0.039 0.000 2.436 383 L HA 0.098 4.427 4.340 -0.019 0.000 0.244 383 L C 1.783 178.683 176.870 0.051 0.000 1.396 383 L CA -0.584 54.294 54.840 0.063 0.000 1.217 383 L CB -1.433 40.660 42.059 0.057 0.000 1.420 383 L HN 0.766 nan 8.230 nan 0.000 0.434 384 T N -2.579 112.005 114.554 0.049 0.000 2.689 384 T HA 0.337 4.676 4.350 -0.019 0.000 0.308 384 T C 1.440 176.160 174.700 0.033 0.000 1.021 384 T CA 0.016 62.136 62.100 0.034 0.000 0.973 384 T CB 1.399 70.285 68.868 0.031 0.000 1.113 384 T HN 0.315 nan 8.240 nan 0.000 0.522 385 A N 0.961 123.795 122.820 0.023 0.000 1.835 385 A HA -0.042 4.266 4.320 -0.019 0.000 0.215 385 A C 1.932 179.530 177.584 0.023 0.000 1.199 385 A CA 2.047 54.095 52.037 0.018 0.000 0.615 385 A CB -1.548 17.458 19.000 0.011 0.000 0.838 385 A HN 0.968 nan 8.150 nan 0.000 0.444 386 D N -0.107 120.306 120.400 0.023 0.000 2.126 386 D HA -0.162 4.466 4.640 -0.019 0.000 0.190 386 D C 1.804 178.121 176.300 0.029 0.000 1.001 386 D CA 1.811 55.828 54.000 0.027 0.000 0.841 386 D CB -0.530 40.281 40.800 0.018 0.000 0.949 386 D HN 0.189 nan 8.370 nan 0.000 0.446 387 V N 0.637 120.557 119.914 0.010 0.000 2.282 387 V HA -0.311 3.797 4.120 -0.019 0.000 0.249 387 V C 2.368 178.482 176.094 0.033 0.000 1.057 387 V CA 1.734 64.025 62.300 -0.016 0.000 1.032 387 V CB -0.496 31.348 31.823 0.035 0.000 0.645 387 V HN 0.302 nan 8.190 nan 0.000 0.447 388 M N -0.452 119.184 119.600 0.060 0.000 2.229 388 M HA -0.142 4.327 4.480 -0.019 0.000 0.264 388 M C 2.194 178.537 176.300 0.072 0.000 1.063 388 M CA 1.878 57.224 55.300 0.078 0.000 1.114 388 M CB -0.740 31.901 32.600 0.068 0.000 1.387 388 M HN 0.482 nan 8.290 nan 0.000 0.420 389 T N -0.500 114.089 114.554 0.057 0.000 2.737 389 T HA -0.178 4.160 4.350 -0.019 0.000 0.265 389 T C 1.543 176.294 174.700 0.086 0.000 1.038 389 T CA 1.222 63.356 62.100 0.057 0.000 1.144 389 T CB -0.570 68.324 68.868 0.044 0.000 0.866 389 T HN 0.360 nan 8.240 nan 0.000 0.434 390 Y N 1.813 122.072 120.300 -0.069 0.000 2.049 390 Y HA -0.153 4.386 4.550 -0.019 0.000 0.277 390 Y C 2.169 177.947 175.900 -0.202 0.000 1.143 390 Y CA 1.262 59.285 58.100 -0.128 0.000 1.115 390 Y CB -0.536 37.785 38.460 -0.231 0.000 0.975 390 Y HN 0.084 nan 8.280 nan 0.000 0.487 391 I N -0.218 120.338 120.570 -0.024 0.000 2.315 391 I HA -0.395 3.763 4.170 -0.019 0.000 0.251 391 I C 2.633 178.585 176.117 -0.275 0.000 1.125 391 I CA 1.753 62.911 61.300 -0.236 0.000 1.392 391 I CB -0.676 37.220 38.000 -0.173 0.000 1.065 391 I HN 0.476 nan 8.210 nan 0.000 0.424 392 H N 0.839 119.793 119.070 -0.194 0.000 2.326 392 H HA -0.124 4.421 4.556 -0.019 0.000 0.301 392 H C 2.321 177.528 175.328 -0.201 0.000 1.081 392 H CA 2.010 57.957 56.048 -0.169 0.000 1.334 392 H CB 0.209 29.915 29.762 -0.094 0.000 1.385 392 H HN 0.233 nan 8.280 nan 0.000 0.504 393 S N 1.028 116.615 115.700 -0.189 0.000 2.348 393 S HA -0.182 4.276 4.470 -0.019 0.000 0.221 393 S C 2.382 176.774 174.600 -0.347 0.000 1.033 393 S CA 1.389 59.458 58.200 -0.218 0.000 1.010 393 S CB -0.395 62.729 63.200 -0.128 0.000 0.891 393 S HN 0.434 nan 8.310 nan 0.000 0.442 394 M N 1.160 120.440 119.600 -0.533 0.000 2.073 394 M HA -0.137 4.332 4.480 -0.019 0.000 0.258 394 M C 0.518 176.438 176.300 -0.634 0.000 1.070 394 M CA 1.628 56.415 55.300 -0.855 0.000 1.103 394 M CB -0.025 31.849 32.600 -1.209 0.000 1.321 394 M HN 0.319 nan 8.290 nan 0.000 0.405 395 N N -0.694 117.667 118.700 -0.564 0.000 2.976 395 N HA 0.108 4.837 4.740 -0.019 0.000 0.220 395 N C -0.105 175.154 175.510 -0.418 0.000 1.428 395 N CA -0.157 52.627 53.050 -0.445 0.000 0.748 395 N CB 0.765 38.988 38.487 -0.439 0.000 1.484 395 N HN 0.055 nan 8.380 nan 0.000 0.578 396 S N -0.063 115.369 115.700 -0.445 0.000 2.409 396 S HA -0.273 4.186 4.470 -0.019 0.000 0.237 396 S C 2.163 176.619 174.600 -0.240 0.000 1.060 396 S CA 2.510 60.464 58.200 -0.411 0.000 1.052 396 S CB -0.412 62.513 63.200 -0.458 0.000 0.871 396 S HN 0.865 nan 8.310 nan 0.000 0.465 397 T N 0.719 115.143 114.554 -0.217 0.000 2.849 397 T HA -0.074 4.264 4.350 -0.019 0.000 0.270 397 T C 1.614 176.171 174.700 -0.239 0.000 1.066 397 T CA 1.272 63.272 62.100 -0.168 0.000 1.130 397 T CB -0.768 68.025 68.868 -0.125 0.000 0.864 397 T HN 0.433 nan 8.240 nan 0.000 0.481 398 I N 1.090 121.443 120.570 -0.362 0.000 2.091 398 I HA -0.194 3.964 4.170 -0.019 0.000 0.239 398 I C 2.684 178.401 176.117 -0.665 0.000 1.061 398 I CA 1.787 62.721 61.300 -0.610 0.000 1.317 398 I CB -0.545 37.005 38.000 -0.750 0.000 1.031 398 I HN 0.257 nan 8.210 nan 0.000 0.401 399 L N 0.284 121.303 121.223 -0.340 0.000 2.046 399 L HA -0.203 4.126 4.340 -0.019 0.000 0.208 399 L C 2.595 179.497 176.870 0.052 0.000 1.077 399 L CA 1.468 56.300 54.840 -0.012 0.000 0.747 399 L CB -0.751 41.358 42.059 0.084 0.000 0.896 399 L HN 0.281 nan 8.230 nan 0.000 0.432 400 E N 0.154 120.347 120.200 -0.013 0.000 2.085 400 E HA -0.236 4.102 4.350 -0.019 0.000 0.194 400 E C 1.627 178.247 176.600 0.034 0.000 0.994 400 E CA 1.426 57.838 56.400 0.020 0.000 0.801 400 E CB -0.202 29.494 29.700 -0.008 0.000 0.743 400 E HN 0.541 nan 8.360 nan 0.000 0.453 401 D N -0.317 120.069 120.400 -0.023 0.000 2.224 401 D HA -0.094 4.534 4.640 -0.019 0.000 0.205 401 D C 0.998 177.390 176.300 0.153 0.000 0.965 401 D CA 0.441 54.450 54.000 0.015 0.000 0.852 401 D CB -0.017 40.747 40.800 -0.061 0.000 0.947 401 D HN 0.091 nan 8.370 nan 0.000 0.494 402 W N 1.894 123.225 121.300 0.051 0.000 1.549 402 W HA 0.011 4.659 4.660 -0.019 0.000 0.402 402 W C 1.551 178.098 176.519 0.046 0.000 1.923 402 W CA -0.724 56.654 57.345 0.055 0.000 2.123 402 W CB -1.257 28.242 29.460 0.064 0.000 1.614 402 W HN -0.088 nan 8.180 nan 0.000 0.858 439 D N 5.440 125.875 120.400 0.060 0.000 2.426 439 D HA 0.023 4.652 4.640 -0.019 0.000 0.261 439 D C -1.047 175.317 176.300 0.107 0.000 1.245 439 D CA -1.227 52.834 54.000 0.100 0.000 0.917 439 D CB 1.146 42.021 40.800 0.125 0.000 1.123 439 D HN 0.273 nan 8.370 nan 0.000 0.508 440 P HA -0.064 nan 4.420 nan 0.000 0.230 440 P C 0.119 177.525 177.300 0.178 0.000 1.158 440 P CA 0.516 63.686 63.100 0.116 0.000 0.769 440 P CB 0.210 31.969 31.700 0.099 0.000 0.807 441 L N -0.630 120.749 121.223 0.260 0.000 3.209 441 L HA 0.346 4.675 4.340 -0.019 0.000 0.279 441 L C 1.904 178.948 176.870 0.289 0.000 1.301 441 L CA -0.027 55.068 54.840 0.425 0.000 1.004 441 L CB 0.109 42.572 42.059 0.673 0.000 1.402 441 L HN -0.259 nan 8.230 nan 0.000 0.577 442 K N 0.758 121.228 120.400 0.117 0.000 2.209 442 K HA -0.114 4.195 4.320 -0.019 0.000 0.204 442 K C 1.593 178.151 176.600 -0.072 0.000 1.048 442 K CA 0.984 57.299 56.287 0.046 0.000 0.940 442 K CB 0.332 32.843 32.500 0.017 0.000 0.729 442 K HN 0.261 nan 8.250 nan 0.000 0.451 443 K N 0.151 120.421 120.400 -0.217 0.000 2.097 443 K HA -0.124 4.185 4.320 -0.019 0.000 0.206 443 K C 0.570 176.893 176.600 -0.460 0.000 1.049 443 K CA 1.150 57.190 56.287 -0.413 0.000 0.933 443 K CB -0.251 31.826 32.500 -0.704 0.000 0.717 443 K HN 0.182 nan 8.250 nan 0.000 0.442 444 Y N 0.771 120.978 120.300 -0.155 0.000 2.354 444 Y HA 0.161 4.699 4.550 -0.019 0.000 0.322 444 Y C 0.937 176.468 175.900 -0.614 0.000 1.253 444 Y CA -0.824 57.052 58.100 -0.374 0.000 1.272 444 Y CB 0.947 39.154 38.460 -0.422 0.000 1.255 444 Y HN -0.116 nan 8.280 nan 0.000 0.500 445 T N -0.043 114.173 114.554 -0.564 0.000 2.824 445 T HA 0.797 5.136 4.350 -0.019 0.000 0.282 445 T C -1.155 173.188 174.700 -0.595 0.000 0.993 445 T CA -0.699 61.097 62.100 -0.506 0.000 0.967 445 T CB 0.346 69.097 68.868 -0.195 0.000 0.960 445 T HN 0.401 nan 8.240 nan 0.000 0.441 446 F N -0.030 120.000 119.950 0.134 0.000 2.643 446 F HA 0.585 5.101 4.527 -0.019 0.000 0.314 446 F C -0.468 175.434 175.800 0.169 0.000 1.096 446 F CA -2.049 56.035 58.000 0.139 0.000 0.953 446 F CB 0.889 40.004 39.000 0.191 0.000 1.345 446 F HN 0.615 nan 8.300 nan 0.000 0.468 447 W N 3.761 125.174 121.300 0.188 0.000 2.655 447 W HA 0.190 4.839 4.660 -0.019 0.000 0.333 447 W C -0.378 176.269 176.519 0.213 0.000 1.382 447 W CA -0.080 57.356 57.345 0.152 0.000 1.398 447 W CB 0.092 29.604 29.460 0.087 0.000 1.481 447 W HN 0.470 nan 8.180 nan 0.000 0.526 448 E N 4.098 124.605 120.200 0.511 0.000 2.290 448 E HA 0.171 4.510 4.350 -0.019 0.000 0.277 448 E C -0.633 176.240 176.600 0.454 0.000 1.035 448 E CA -0.217 56.434 56.400 0.419 0.000 0.873 448 E CB 1.802 31.704 29.700 0.337 0.000 1.029 448 E HN 0.133 nan 8.360 nan 0.000 0.419 449 V N 4.463 124.553 119.914 0.293 0.000 2.443 449 V HA 0.179 4.287 4.120 -0.019 0.000 0.293 449 V C 0.072 176.265 176.094 0.165 0.000 1.021 449 V CA -0.931 61.489 62.300 0.201 0.000 0.848 449 V CB 1.679 33.535 31.823 0.055 0.000 0.998 449 V HN 0.496 nan 8.190 nan 0.000 0.424 450 N N 4.775 123.579 118.700 0.173 0.000 2.426 450 N HA 0.418 5.147 4.740 -0.019 0.000 0.257 450 N C 0.073 175.630 175.510 0.079 0.000 1.002 450 N CA -0.282 52.852 53.050 0.140 0.000 0.942 450 N CB 1.686 40.239 38.487 0.111 0.000 1.112 450 N HN 0.658 nan 8.380 nan 0.000 0.499 451 L N 3.379 124.628 121.223 0.043 0.000 2.808 451 L HA 0.193 4.522 4.340 -0.019 0.000 0.246 451 L C 1.628 178.524 176.870 0.043 0.000 1.153 451 L CA -0.018 54.857 54.840 0.058 0.000 0.956 451 L CB 0.254 42.343 42.059 0.050 0.000 1.270 451 L HN 0.351 nan 8.230 nan 0.000 0.528 452 K N 0.780 121.162 120.400 -0.030 0.000 2.218 452 K HA -0.194 4.115 4.320 -0.019 0.000 0.205 452 K C 1.119 177.721 176.600 0.003 0.000 1.046 452 K CA 1.318 57.550 56.287 -0.092 0.000 0.933 452 K CB 0.058 32.529 32.500 -0.048 0.000 0.728 452 K HN 0.189 nan 8.250 nan 0.000 0.454 453 E N -0.300 119.942 120.200 0.069 0.000 2.501 453 E HA 0.057 4.395 4.350 -0.019 0.000 0.200 453 E C 0.417 177.117 176.600 0.166 0.000 1.016 453 E CA -0.006 56.460 56.400 0.110 0.000 0.921 453 E CB 0.624 30.374 29.700 0.084 0.000 1.034 453 E HN 0.003 nan 8.360 nan 0.000 0.468 454 K N -0.219 120.309 120.400 0.213 0.000 2.358 454 K HA 0.166 4.475 4.320 -0.019 0.000 0.200 454 K C -0.335 176.432 176.600 0.278 0.000 1.030 454 K CA -0.080 56.339 56.287 0.220 0.000 1.097 454 K CB 0.382 32.970 32.500 0.146 0.000 0.862 454 K HN 0.020 nan 8.250 nan 0.000 0.534 455 F N 1.428 121.399 119.950 0.035 0.000 2.484 455 F HA 0.167 4.682 4.527 -0.019 0.000 0.360 455 F C 0.936 176.922 175.800 0.309 0.000 1.101 455 F CA -0.364 57.690 58.000 0.089 0.000 1.251 455 F CB 0.991 39.931 39.000 -0.100 0.000 1.132 455 F HN -0.270 nan 8.300 nan 0.000 0.570 456 S N 1.637 117.577 115.700 0.401 0.000 2.575 456 S HA 0.660 5.118 4.470 -0.019 0.000 0.278 456 S C 0.286 174.920 174.600 0.057 0.000 1.139 456 S CA -0.199 58.191 58.200 0.316 0.000 0.954 456 S CB 1.431 64.817 63.200 0.309 0.000 1.054 456 S HN 0.752 nan 8.310 nan 0.000 0.483 457 A N 2.723 125.457 122.820 -0.144 0.000 2.167 457 A HA 0.175 4.483 4.320 -0.019 0.000 0.214 457 A C 0.335 177.857 177.584 -0.103 0.000 1.151 457 A CA 0.587 52.339 52.037 -0.474 0.000 0.735 457 A CB -0.195 18.568 19.000 -0.394 0.000 0.802 457 A HN 0.806 nan 8.150 nan 0.000 0.467 458 D N 1.055 121.498 120.400 0.070 0.000 2.563 458 D HA 0.275 4.904 4.640 -0.019 0.000 0.222 458 D C 1.135 177.562 176.300 0.211 0.000 1.145 458 D CA -0.146 53.922 54.000 0.115 0.000 1.001 458 D CB 0.486 41.342 40.800 0.093 0.000 1.049 458 D HN 0.350 nan 8.370 nan 0.000 0.515 459 L N 0.039 121.364 121.223 0.170 0.000 2.081 459 L HA -0.229 4.099 4.340 -0.019 0.000 0.212 459 L C 2.114 179.099 176.870 0.193 0.000 1.080 459 L CA 0.987 55.961 54.840 0.223 0.000 0.754 459 L CB -0.381 41.788 42.059 0.182 0.000 0.893 459 L HN 0.171 nan 8.230 nan 0.000 0.433 460 D N 0.310 120.766 120.400 0.094 0.000 2.170 460 D HA -0.228 4.401 4.640 -0.019 0.000 0.193 460 D C 2.088 178.353 176.300 -0.057 0.000 1.004 460 D CA 1.399 55.410 54.000 0.019 0.000 0.860 460 D CB 0.011 40.809 40.800 -0.003 0.000 0.931 460 D HN 0.277 nan 8.370 nan 0.000 0.448 461 Q N -0.965 118.745 119.800 -0.151 0.000 2.515 461 Q HA 0.045 4.373 4.340 -0.019 0.000 0.212 461 Q C -0.271 175.216 176.000 -0.854 0.000 0.970 461 Q CA 0.340 55.847 55.803 -0.492 0.000 0.941 461 Q CB -0.086 28.251 28.738 -0.668 0.000 0.998 461 Q HN 0.331 nan 8.270 nan 0.000 0.518 462 F N -0.095 119.737 119.950 -0.196 0.000 2.577 462 F HA 0.300 4.816 4.527 -0.019 0.000 0.318 462 F C -1.479 174.249 175.800 -0.120 0.000 1.065 462 F CA -2.521 55.322 58.000 -0.260 0.000 0.929 462 F CB 1.396 39.965 39.000 -0.719 0.000 1.237 462 F HN -0.271 nan 8.300 nan 0.000 0.468 463 P HA -0.160 nan 4.420 nan 0.000 0.216 463 P C 1.800 179.171 177.300 0.119 0.000 1.153 463 P CA 1.426 64.573 63.100 0.077 0.000 0.848 463 P CB 0.721 32.449 31.700 0.046 0.000 0.787 464 L N -0.507 120.812 121.223 0.160 0.000 2.093 464 L HA -0.042 4.287 4.340 -0.019 0.000 0.208 464 L C 2.529 179.563 176.870 0.273 0.000 1.085 464 L CA 1.969 56.908 54.840 0.165 0.000 0.755 464 L CB -1.231 40.880 42.059 0.088 0.000 0.904 464 L HN 0.028 nan 8.230 nan 0.000 0.435 465 G N -0.359 108.613 108.800 0.286 0.000 2.418 465 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.217 465 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.217 465 G C 1.633 176.666 174.900 0.221 0.000 1.158 465 G CA 0.456 45.719 45.100 0.272 0.000 0.771 465 G HN 0.312 nan 8.290 nan 0.000 0.545 466 R N 0.434 121.023 120.500 0.149 0.000 2.070 466 R HA -0.015 4.314 4.340 -0.019 0.000 0.233 466 R C 2.687 179.044 176.300 0.096 0.000 1.137 466 R CA 1.511 57.661 56.100 0.084 0.000 0.945 466 R CB -0.291 30.036 30.300 0.045 0.000 0.845 466 R HN 0.275 nan 8.270 nan 0.000 0.430 467 K N -0.070 120.425 120.400 0.159 0.000 2.059 467 K HA -0.225 4.084 4.320 -0.019 0.000 0.212 467 K C 1.963 178.684 176.600 0.202 0.000 1.050 467 K CA 1.808 58.225 56.287 0.218 0.000 0.927 467 K CB -0.375 32.316 32.500 0.319 0.000 0.714 467 K HN 0.090 nan 8.250 nan 0.000 0.447 468 F N 1.950 121.951 119.950 0.085 0.000 2.095 468 F HA -0.193 4.323 4.527 -0.019 0.000 0.298 468 F C 1.839 177.428 175.800 -0.352 0.000 1.104 468 F CA 1.363 59.184 58.000 -0.298 0.000 1.232 468 F CB -0.366 38.542 39.000 -0.154 0.000 0.987 468 F HN -0.095 nan 8.300 nan 0.000 0.475 469 L N -0.462 120.601 121.223 -0.268 0.000 1.989 469 L HA -0.242 4.086 4.340 -0.019 0.000 0.211 469 L C 2.497 179.148 176.870 -0.364 0.000 1.071 469 L CA 1.283 55.900 54.840 -0.373 0.000 0.749 469 L CB -1.080 40.898 42.059 -0.135 0.000 0.890 469 L HN 0.277 nan 8.230 nan 0.000 0.431 470 L N -0.222 120.871 121.223 -0.216 0.000 2.013 470 L HA -0.279 4.050 4.340 -0.019 0.000 0.212 470 L C 2.626 179.347 176.870 -0.249 0.000 1.073 470 L CA 1.870 56.604 54.840 -0.175 0.000 0.753 470 L CB -0.921 41.089 42.059 -0.082 0.000 0.890 470 L HN 0.352 nan 8.230 nan 0.000 0.432 471 Q N -0.922 118.675 119.800 -0.338 0.000 2.020 471 Q HA -0.181 4.147 4.340 -0.019 0.000 0.202 471 Q C 1.895 177.572 176.000 -0.538 0.000 0.982 471 Q CA 1.424 56.968 55.803 -0.431 0.000 0.838 471 Q CB -0.319 28.021 28.738 -0.663 0.000 0.899 471 Q HN 0.457 nan 8.270 nan 0.000 0.423 472 L N 0.519 121.271 121.223 -0.786 0.000 2.627 472 L HA 0.023 4.352 4.340 -0.019 0.000 0.233 472 L C 1.506 178.094 176.870 -0.469 0.000 1.144 472 L CA 1.390 55.805 54.840 -0.710 0.000 0.892 472 L CB -1.315 40.085 42.059 -1.099 0.000 1.039 472 L HN 0.517 nan 8.230 nan 0.000 0.442 473 G N 1.054 109.629 108.800 -0.375 0.000 4.011 473 G HA2 -0.398 3.551 3.960 -0.019 0.000 0.348 473 G HA3 -0.398 3.551 3.960 -0.019 0.000 0.348 473 G C 0.596 175.353 174.900 -0.238 0.000 1.310 473 G CA 0.985 45.934 45.100 -0.251 0.000 1.056 473 G HN 0.450 nan 8.290 nan 0.000 0.728 474 L N 0.000 121.096 121.223 -0.212 0.000 2.949 474 L HA 0.000 4.329 4.340 -0.019 0.000 0.249 474 L CA 0.000 54.743 54.840 -0.162 0.000 0.813 474 L CB 0.000 41.998 42.059 -0.101 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502