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 2r5h_1_E 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 LQL 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 0.000 177.659 177.584 0.124 0.000 1.274 20 A CA 0.000 52.069 52.037 0.053 0.000 0.836 20 A CB 0.000 19.027 19.000 0.045 0.000 0.831 21 V N 2.400 122.316 119.914 0.003 0.000 2.483 21 V HA 0.785 4.905 4.120 -0.001 0.000 0.295 21 V C 0.304 176.385 176.094 -0.020 0.000 1.035 21 V CA -0.345 61.944 62.300 -0.019 0.000 0.896 21 V CB 1.418 32.959 31.823 -0.470 0.000 0.986 21 V HN 1.642 nan 8.190 nan 0.000 0.447 22 V N 1.267 121.306 119.914 0.209 0.000 2.876 22 V HA 0.738 4.858 4.120 -0.001 0.000 0.312 22 V C 0.134 176.580 176.094 0.586 0.000 1.085 22 V CA -0.650 61.843 62.300 0.322 0.000 0.945 22 V CB 1.883 33.786 31.823 0.134 0.000 1.017 22 V HN 0.975 nan 8.190 nan 0.000 0.428 23 S N 2.656 118.682 115.700 0.544 0.000 2.626 23 S HA -0.013 4.456 4.470 -0.001 0.000 0.303 23 S C 1.622 176.344 174.600 0.203 0.000 1.256 23 S CA 0.661 59.055 58.200 0.323 0.000 1.069 23 S CB 0.487 63.760 63.200 0.121 0.000 0.807 23 S HN 2.040 nan 8.310 nan 0.000 0.500 24 T N 1.456 116.064 114.554 0.089 0.000 2.849 24 T HA -0.149 4.200 4.350 -0.001 0.000 0.270 24 T C 1.128 175.563 174.700 -0.442 0.000 1.066 24 T CA 1.502 63.311 62.100 -0.484 0.000 1.130 24 T CB -0.572 68.139 68.868 -0.261 0.000 0.864 24 T HN 0.686 nan 8.240 nan 0.000 0.481 25 D N 1.461 121.767 120.400 -0.156 0.000 2.322 25 D HA -0.088 4.551 4.640 -0.001 0.000 0.210 25 D C 2.021 178.279 176.300 -0.069 0.000 0.983 25 D CA 0.916 54.858 54.000 -0.097 0.000 0.902 25 D CB -0.071 40.708 40.800 -0.035 0.000 0.905 25 D HN 0.710 nan 8.370 nan 0.000 0.483 26 E N -0.659 119.507 120.200 -0.056 0.000 2.024 26 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 26 E C 1.606 178.258 176.600 0.087 0.000 0.974 26 E CA 0.504 56.935 56.400 0.053 0.000 0.810 26 E CB -0.182 29.606 29.700 0.147 0.000 0.775 26 E HN 0.500 nan 8.360 nan 0.000 0.453 27 Y N -0.638 119.716 120.300 0.089 0.000 2.461 27 Y HA 0.398 4.947 4.550 -0.001 0.000 0.277 27 Y C 0.122 176.113 175.900 0.151 0.000 1.182 27 Y CA -0.406 57.758 58.100 0.108 0.000 1.276 27 Y CB 0.166 38.698 38.460 0.119 0.000 1.087 27 Y HN -0.296 nan 8.280 nan 0.000 0.519 28 V N 1.933 121.789 119.914 -0.097 0.000 2.487 28 V HA 0.745 4.864 4.120 -0.001 0.000 0.298 28 V C -0.107 175.967 176.094 -0.034 0.000 1.028 28 V CA -1.214 61.056 62.300 -0.050 0.000 0.860 28 V CB 1.161 32.869 31.823 -0.192 0.000 0.991 28 V HN 0.398 nan 8.190 nan 0.000 0.427 29 A N 6.020 128.841 122.820 0.001 0.000 2.289 29 A HA 0.656 4.975 4.320 -0.001 0.000 0.298 29 A C 0.171 177.720 177.584 -0.058 0.000 1.208 29 A CA -0.545 51.482 52.037 -0.017 0.000 0.845 29 A CB 0.328 19.333 19.000 0.008 0.000 1.125 29 A HN 0.805 nan 8.150 nan 0.000 0.517 30 R N 2.183 122.646 120.500 -0.061 0.000 2.207 30 R HA 0.342 4.682 4.340 -0.001 0.000 0.334 30 R C 0.513 176.745 176.300 -0.113 0.000 1.013 30 R CA -0.060 55.987 56.100 -0.089 0.000 0.858 30 R CB 1.075 31.341 30.300 -0.057 0.000 1.094 30 R HN 0.888 nan 8.270 nan 0.000 0.457 31 T N -1.209 113.233 114.554 -0.187 0.000 2.814 31 T HA 0.120 4.469 4.350 -0.001 0.000 0.284 31 T C 0.619 175.151 174.700 -0.280 0.000 0.998 31 T CA -0.635 61.332 62.100 -0.221 0.000 0.935 31 T CB 0.950 69.620 68.868 -0.331 0.000 1.167 31 T HN 0.549 nan 8.240 nan 0.000 0.545 32 N N 0.222 118.767 118.700 -0.258 0.000 2.538 32 N HA 0.236 4.975 4.740 -0.001 0.000 0.291 32 N C -0.942 174.391 175.510 -0.295 0.000 1.323 32 N CA -0.303 52.596 53.050 -0.250 0.000 0.934 32 N CB 0.112 38.563 38.487 -0.060 0.000 1.255 32 N HN 0.430 nan 8.380 nan 0.000 0.509 33 I N 1.946 122.249 120.570 -0.445 0.000 2.330 33 I HA 0.266 4.436 4.170 -0.001 0.000 0.289 33 I C -0.544 175.455 176.117 -0.196 0.000 1.001 33 I CA -0.561 60.597 61.300 -0.236 0.000 1.193 33 I CB 0.125 37.967 38.000 -0.263 0.000 1.345 33 I HN 0.050 nan 8.210 nan 0.000 0.461 34 Y N 6.008 126.464 120.300 0.260 0.000 2.429 34 Y HA 0.542 5.091 4.550 -0.001 0.000 0.342 34 Y C -0.538 175.583 175.900 0.368 0.000 1.004 34 Y CA -0.648 57.671 58.100 0.366 0.000 1.075 34 Y CB 2.020 40.690 38.460 0.349 0.000 1.214 34 Y HN 0.351 nan 8.280 nan 0.000 0.455 35 Y N 1.037 121.669 120.300 0.554 0.000 2.570 35 Y HA 0.385 4.935 4.550 -0.001 0.000 0.345 35 Y C -0.328 175.680 175.900 0.179 0.000 1.014 35 Y CA -1.153 57.183 58.100 0.394 0.000 1.063 35 Y CB 1.731 40.463 38.460 0.453 0.000 1.272 35 Y HN 0.571 nan 8.280 nan 0.000 0.477 36 H N 1.083 120.192 119.070 0.064 0.000 2.731 36 H HA 0.917 5.472 4.556 -0.001 0.000 0.368 36 H C -1.789 173.305 175.328 -0.390 0.000 1.168 36 H CA -0.631 55.304 56.048 -0.188 0.000 1.181 36 H CB 1.918 31.541 29.762 -0.232 0.000 1.743 36 H HN 0.852 nan 8.280 nan 0.000 0.547 37 A N 1.259 123.566 122.820 -0.855 0.000 2.599 37 A HA 0.628 4.948 4.320 -0.001 0.000 0.294 37 A C -1.021 176.267 177.584 -0.493 0.000 1.055 37 A CA -0.030 51.686 52.037 -0.534 0.000 0.683 37 A CB 1.315 19.870 19.000 -0.741 0.000 1.278 37 A HN 1.241 nan 8.150 nan 0.000 0.412 38 G N 0.274 108.951 108.800 -0.206 0.000 2.341 38 G HA2 0.601 4.561 3.960 -0.001 0.000 0.300 38 G HA3 0.601 4.561 3.960 -0.001 0.000 0.300 38 G C -0.416 174.469 174.900 -0.025 0.000 1.706 38 G CA 0.263 45.324 45.100 -0.065 0.000 0.916 38 G HN 2.019 nan 8.290 nan 0.000 0.716 39 T N -0.197 114.351 114.554 -0.010 0.000 2.908 39 T HA 0.371 4.721 4.350 -0.001 0.000 0.301 39 T C 1.917 176.627 174.700 0.018 0.000 1.019 39 T CA 0.766 62.869 62.100 0.004 0.000 1.152 39 T CB 1.256 70.104 68.868 -0.032 0.000 0.966 39 T HN 1.684 nan 8.240 nan 0.000 0.540 40 S N 2.790 118.522 115.700 0.054 0.000 2.356 40 S HA -0.086 4.384 4.470 -0.001 0.000 0.223 40 S C 0.956 175.587 174.600 0.052 0.000 1.032 40 S CA 0.476 58.716 58.200 0.066 0.000 1.005 40 S CB -0.328 62.923 63.200 0.085 0.000 0.867 40 S HN 1.000 nan 8.310 nan 0.000 0.449 41 R N -0.113 120.425 120.500 0.063 0.000 2.792 41 R HA 0.332 4.672 4.340 -0.001 0.000 0.285 41 R C -1.935 174.435 176.300 0.116 0.000 1.207 41 R CA -0.409 55.733 56.100 0.069 0.000 1.091 41 R CB 0.531 30.872 30.300 0.068 0.000 1.263 41 R HN 0.317 nan 8.270 nan 0.000 0.403 42 L N 4.285 125.586 121.223 0.130 0.000 2.395 42 L HA 0.484 4.823 4.340 -0.001 0.000 0.269 42 L C -0.563 176.508 176.870 0.335 0.000 1.133 42 L CA -0.748 54.243 54.840 0.251 0.000 0.812 42 L CB 1.206 43.292 42.059 0.046 0.000 1.125 42 L HN 0.497 nan 8.230 nan 0.000 0.452 43 L N 2.398 123.880 121.223 0.430 0.000 2.409 43 L HA 0.788 5.127 4.340 -0.001 0.000 0.262 43 L C -0.733 176.336 176.870 0.332 0.000 0.992 43 L CA -0.265 54.769 54.840 0.324 0.000 0.817 43 L CB 2.052 44.223 42.059 0.186 0.000 1.350 43 L HN 0.652 nan 8.230 nan 0.000 0.411 44 A N 2.650 125.609 122.820 0.230 0.000 2.422 44 A HA 0.903 5.222 4.320 -0.001 0.000 0.302 44 A C -1.810 175.785 177.584 0.019 0.000 1.041 44 A CA -0.536 51.564 52.037 0.104 0.000 0.708 44 A CB 1.893 20.983 19.000 0.151 0.000 1.257 44 A HN 0.438 nan 8.150 nan 0.000 0.414 45 V N 1.550 121.456 119.914 -0.014 0.000 2.697 45 V HA 0.795 4.914 4.120 -0.001 0.000 0.300 45 V C 0.386 176.473 176.094 -0.011 0.000 1.115 45 V CA 0.445 62.733 62.300 -0.019 0.000 0.912 45 V CB 1.738 33.562 31.823 0.001 0.000 1.024 45 V HN 1.744 nan 8.190 nan 0.000 0.431 46 G N 2.426 111.226 108.800 -0.001 0.000 2.664 46 G HA2 0.449 4.408 3.960 -0.001 0.000 0.303 46 G HA3 0.449 4.408 3.960 -0.001 0.000 0.303 46 G C -1.736 173.199 174.900 0.059 0.000 1.243 46 G CA -0.488 44.635 45.100 0.037 0.000 0.826 46 G HN 0.645 nan 8.290 nan 0.000 0.498 47 H N 1.469 120.542 119.070 0.005 0.000 2.459 47 H HA 0.400 4.956 4.556 -0.001 0.000 0.332 47 H C -1.579 173.720 175.328 -0.049 0.000 1.094 47 H CA -1.843 54.189 56.048 -0.027 0.000 1.224 47 H CB 2.809 32.502 29.762 -0.115 0.000 1.449 47 H HN 0.138 nan 8.280 nan 0.000 0.484 48 P HA -0.105 nan 4.420 nan 0.000 0.228 48 P C -0.044 177.011 177.300 -0.409 0.000 1.151 48 P CA 1.212 64.122 63.100 -0.315 0.000 0.770 48 P CB 0.247 31.623 31.700 -0.540 0.000 0.786 49 Y N -0.934 119.442 120.300 0.125 0.000 2.736 49 Y HA 0.282 4.832 4.550 -0.001 0.000 0.272 49 Y C 1.310 177.316 175.900 0.177 0.000 1.118 49 Y CA -0.495 57.679 58.100 0.124 0.000 1.248 49 Y CB -0.153 38.376 38.460 0.114 0.000 1.437 49 Y HN -0.172 nan 8.280 nan 0.000 0.481 50 F N -1.279 118.895 119.950 0.374 0.000 2.715 50 F HA 0.852 5.378 4.527 -0.001 0.000 0.318 50 F C -3.311 172.522 175.800 0.054 0.000 1.141 50 F CA -3.311 54.767 58.000 0.130 0.000 0.950 50 F CB 0.541 39.557 39.000 0.026 0.000 1.374 50 F HN -0.371 nan 8.300 nan 0.000 0.477 51 P HA 0.391 nan 4.420 nan 0.000 0.282 51 P C -0.985 176.467 177.300 0.255 0.000 1.249 51 P CA -0.033 63.205 63.100 0.231 0.000 0.806 51 P CB 1.845 33.628 31.700 0.140 0.000 0.984 52 I N 3.274 123.946 120.570 0.169 0.000 2.330 52 I HA 0.311 4.481 4.170 -0.001 0.000 0.286 52 I C 0.946 177.114 176.117 0.085 0.000 1.025 52 I CA -0.018 61.368 61.300 0.143 0.000 1.197 52 I CB 0.527 38.614 38.000 0.147 0.000 1.358 52 I HN 0.359 nan 8.210 nan 0.000 0.467 53 K N 3.897 124.333 120.400 0.060 0.000 2.346 53 K HA 0.698 5.017 4.320 -0.001 0.000 0.238 53 K C -0.517 176.095 176.600 0.022 0.000 1.039 53 K CA -1.361 54.946 56.287 0.033 0.000 0.861 53 K CB 1.232 33.744 32.500 0.019 0.000 1.278 53 K HN 0.071 nan 8.250 nan 0.000 0.460 54 K N 1.827 122.235 120.400 0.013 0.000 2.484 54 K HA 0.036 4.355 4.320 -0.001 0.000 0.280 54 K C -1.616 174.983 176.600 -0.002 0.000 1.013 54 K CA -1.292 54.999 56.287 0.007 0.000 1.029 54 K CB 0.515 33.017 32.500 0.004 0.000 0.902 54 K HN 0.383 nan 8.250 nan 0.000 0.481 55 P HA -0.246 nan 4.420 nan 0.000 0.216 55 P C -0.149 177.140 177.300 -0.017 0.000 1.154 55 P CA 1.977 65.068 63.100 -0.014 0.000 0.865 55 P CB -0.003 31.691 31.700 -0.010 0.000 0.789 56 N N -0.219 118.473 118.700 -0.012 0.000 2.258 56 N HA -0.092 4.648 4.740 -0.001 0.000 0.183 56 N C 0.902 176.404 175.510 -0.013 0.000 1.029 56 N CA 0.089 53.131 53.050 -0.013 0.000 0.857 56 N CB -1.439 37.042 38.487 -0.010 0.000 1.008 56 N HN 0.147 nan 8.380 nan 0.000 0.433 57 N N 0.772 119.466 118.700 -0.009 0.000 2.482 57 N HA 0.010 4.749 4.740 -0.001 0.000 0.260 57 N C -0.234 175.270 175.510 -0.009 0.000 1.236 57 N CA -0.410 52.635 53.050 -0.008 0.000 0.938 57 N CB 0.363 38.846 38.487 -0.005 0.000 1.128 57 N HN 0.352 nan 8.380 nan 0.000 0.448 58 N N 1.459 120.153 118.700 -0.010 0.000 2.321 58 N HA 0.032 4.772 4.740 -0.001 0.000 0.242 58 N C -0.661 174.845 175.510 -0.007 0.000 1.141 58 N CA -0.272 52.772 53.050 -0.010 0.000 0.864 58 N CB 0.277 38.756 38.487 -0.014 0.000 1.100 58 N HN 0.483 nan 8.380 nan 0.000 0.510 59 K N 1.933 122.331 120.400 -0.004 0.000 2.205 59 K HA 0.249 4.569 4.320 -0.001 0.000 0.279 59 K C 0.121 176.724 176.600 0.004 0.000 1.027 59 K CA -0.624 55.661 56.287 -0.003 0.000 0.932 59 K CB 1.138 33.635 32.500 -0.004 0.000 1.032 59 K HN 0.265 nan 8.250 nan 0.000 0.466 60 I N 3.649 124.222 120.570 0.004 0.000 2.308 60 I HA 0.072 4.241 4.170 -0.001 0.000 0.293 60 I C 0.847 176.973 176.117 0.015 0.000 1.078 60 I CA -0.589 60.720 61.300 0.015 0.000 1.292 60 I CB 0.765 38.773 38.000 0.014 0.000 1.423 60 I HN 0.593 nan 8.210 nan 0.000 0.493 61 L N 7.411 128.649 121.223 0.025 0.000 2.156 61 L HA 0.237 4.577 4.340 -0.001 0.000 0.208 61 L C 0.397 177.282 176.870 0.026 0.000 1.095 61 L CA 1.511 56.365 54.840 0.023 0.000 0.770 61 L CB 0.181 42.257 42.059 0.029 0.000 0.914 61 L HN 0.562 nan 8.230 nan 0.000 0.439 62 V N 1.048 120.988 119.914 0.043 0.000 2.760 62 V HA 0.518 4.638 4.120 -0.001 0.000 0.309 62 V C -2.526 173.605 176.094 0.062 0.000 1.077 62 V CA -1.089 61.241 62.300 0.050 0.000 0.910 62 V CB 2.088 33.955 31.823 0.074 0.000 1.008 62 V HN 0.071 nan 8.190 nan 0.000 0.424 63 P HA 0.376 nan 4.420 nan 0.000 0.287 63 P C -1.424 175.914 177.300 0.063 0.000 1.290 63 P CA -1.031 62.094 63.100 0.042 0.000 0.889 63 P CB 1.680 33.376 31.700 -0.007 0.000 1.190 64 K N 1.069 121.512 120.400 0.071 0.000 2.378 64 K HA 0.276 4.595 4.320 -0.001 0.000 0.288 64 K C -1.002 175.624 176.600 0.044 0.000 1.057 64 K CA -0.100 56.239 56.287 0.088 0.000 0.971 64 K CB -0.164 32.400 32.500 0.106 0.000 0.975 64 K HN 0.200 nan 8.250 nan 0.000 0.475 65 V N 4.102 124.040 119.914 0.041 0.000 2.383 65 V HA 0.098 4.218 4.120 -0.001 0.000 0.261 65 V C -0.244 175.867 176.094 0.029 0.000 0.987 65 V CA -0.725 61.575 62.300 0.001 0.000 0.853 65 V CB 0.637 32.433 31.823 -0.045 0.000 1.095 65 V HN 0.792 nan 8.190 nan 0.000 0.461 66 S N 2.414 118.169 115.700 0.092 0.000 2.664 66 S HA 0.695 5.165 4.470 -0.001 0.000 0.304 66 S C 0.954 175.663 174.600 0.181 0.000 1.099 66 S CA 0.131 58.468 58.200 0.227 0.000 1.003 66 S CB 2.042 65.289 63.200 0.080 0.000 1.092 66 S HN 0.777 nan 8.310 nan 0.000 0.525 67 G N 0.787 109.771 108.800 0.307 0.000 3.452 67 G HA2 0.430 4.390 3.960 -0.001 0.000 0.258 67 G HA3 0.430 4.390 3.960 -0.001 0.000 0.258 67 G C 0.099 175.050 174.900 0.083 0.000 1.305 67 G CA -0.140 45.081 45.100 0.200 0.000 1.514 67 G HN 0.686 nan 8.290 nan 0.000 0.593 68 L N -1.287 119.968 121.223 0.053 0.000 3.826 68 L HA 0.201 4.540 4.340 -0.001 0.000 0.362 68 L C 0.319 177.186 176.870 -0.006 0.000 1.235 68 L CA -0.111 54.724 54.840 -0.007 0.000 1.207 68 L CB 0.574 42.622 42.059 -0.018 0.000 1.518 68 L HN 0.117 nan 8.230 nan 0.000 0.628 69 Q N 0.654 120.475 119.800 0.035 0.000 2.331 69 Q HA 0.306 4.645 4.340 -0.001 0.000 0.257 69 Q C -1.128 174.925 176.000 0.088 0.000 0.957 69 Q CA -0.701 55.146 55.803 0.074 0.000 0.923 69 Q CB 1.154 29.936 28.738 0.074 0.000 1.212 69 Q HN 0.068 nan 8.270 nan 0.000 0.443 70 Y N 1.773 122.089 120.300 0.026 0.000 2.721 70 Y HA -0.082 4.468 4.550 -0.001 0.000 0.329 70 Y C 0.864 176.755 175.900 -0.015 0.000 1.211 70 Y CA 0.414 58.529 58.100 0.025 0.000 1.512 70 Y CB 0.337 38.800 38.460 0.004 0.000 1.249 70 Y HN 0.237 nan 8.280 nan 0.000 0.549 71 R N 3.710 124.261 120.500 0.085 0.000 2.308 71 R HA 0.213 4.553 4.340 -0.001 0.000 0.325 71 R C -1.256 174.875 176.300 -0.282 0.000 1.161 71 R CA -0.409 55.594 56.100 -0.162 0.000 1.022 71 R CB 0.036 30.151 30.300 -0.309 0.000 1.091 71 R HN 0.391 nan 8.270 nan 0.000 0.497 72 V N 5.933 125.762 119.914 -0.142 0.000 2.408 72 V HA 0.218 4.338 4.120 -0.001 0.000 0.267 72 V C 0.311 176.312 176.094 -0.155 0.000 1.047 72 V CA -0.299 61.958 62.300 -0.072 0.000 0.937 72 V CB 0.165 32.018 31.823 0.050 0.000 0.999 72 V HN 0.363 nan 8.190 nan 0.000 0.472 73 F N 4.177 124.151 119.950 0.040 0.000 2.410 73 F HA 0.515 5.041 4.527 -0.001 0.000 0.348 73 F C 0.721 176.615 175.800 0.157 0.000 1.106 73 F CA -0.356 57.671 58.000 0.045 0.000 1.163 73 F CB 0.891 39.836 39.000 -0.092 0.000 1.129 73 F HN 0.358 nan 8.300 nan 0.000 0.516 74 R N 3.966 124.670 120.500 0.339 0.000 2.229 74 R HA 0.589 4.929 4.340 -0.001 0.000 0.332 74 R C -1.411 174.802 176.300 -0.144 0.000 0.989 74 R CA -0.618 55.629 56.100 0.244 0.000 0.842 74 R CB 0.474 30.984 30.300 0.351 0.000 1.119 74 R HN 0.630 nan 8.270 nan 0.000 0.456 75 I N 4.509 124.908 120.570 -0.286 0.000 2.321 75 I HA 0.193 4.362 4.170 -0.001 0.000 0.291 75 I C -0.191 175.616 176.117 -0.516 0.000 0.998 75 I CA -0.421 60.655 61.300 -0.373 0.000 1.227 75 I CB 1.278 39.053 38.000 -0.376 0.000 1.368 75 I HN 0.480 nan 8.210 nan 0.000 0.466 76 H N 7.536 126.521 119.070 -0.142 0.000 2.685 76 H HA 0.425 4.981 4.556 -0.001 0.000 0.286 76 H C -0.505 174.685 175.328 -0.230 0.000 1.102 76 H CA -0.482 55.474 56.048 -0.153 0.000 1.254 76 H CB 0.525 30.242 29.762 -0.074 0.000 1.397 76 H HN 0.373 nan 8.280 nan 0.000 0.473 77 L N 5.446 126.522 121.223 -0.245 0.000 2.375 77 L HA 0.328 4.667 4.340 -0.001 0.000 0.271 77 L C -1.847 174.741 176.870 -0.469 0.000 1.107 77 L CA -1.991 52.556 54.840 -0.487 0.000 0.806 77 L CB 0.778 42.422 42.059 -0.692 0.000 1.146 77 L HN 0.329 nan 8.230 nan 0.000 0.447 78 P HA 0.006 nan 4.420 nan 0.000 0.275 78 P C -1.003 176.151 177.300 -0.244 0.000 1.228 78 P CA -0.375 62.418 63.100 -0.513 0.000 0.786 78 P CB 0.878 32.140 31.700 -0.730 0.000 0.927 79 D N 4.044 124.422 120.400 -0.036 0.000 2.412 79 D HA 0.008 4.647 4.640 -0.001 0.000 0.257 79 D C -1.080 175.363 176.300 0.237 0.000 1.217 79 D CA -1.654 52.420 54.000 0.124 0.000 0.897 79 D CB 0.453 41.325 40.800 0.119 0.000 1.132 79 D HN 0.191 nan 8.370 nan 0.000 0.493 80 P HA -0.151 nan 4.420 nan 0.000 0.217 80 P C 0.581 178.101 177.300 0.368 0.000 1.150 80 P CA 0.823 64.130 63.100 0.345 0.000 0.832 80 P CB 0.165 31.748 31.700 -0.196 0.000 0.787 81 N N 0.096 118.942 118.700 0.243 0.000 2.651 81 N HA -0.110 4.629 4.740 -0.001 0.000 0.193 81 N C 0.957 176.614 175.510 0.246 0.000 1.149 81 N CA 0.984 54.173 53.050 0.232 0.000 0.933 81 N CB -0.080 38.564 38.487 0.262 0.000 0.974 81 N HN 0.404 nan 8.380 nan 0.000 0.448 82 K N -1.409 119.134 120.400 0.239 0.000 2.613 82 K HA 0.089 4.408 4.320 -0.001 0.000 0.209 82 K C -0.203 176.476 176.600 0.132 0.000 1.556 82 K CA -0.472 55.918 56.287 0.170 0.000 1.017 82 K CB 0.530 33.106 32.500 0.126 0.000 1.291 82 K HN -0.109 nan 8.250 nan 0.000 0.629 83 F N 2.549 122.453 119.950 -0.077 0.000 2.628 83 F HA 0.135 4.661 4.527 -0.001 0.000 0.362 83 F C 1.032 176.589 175.800 -0.405 0.000 1.148 83 F CA 0.018 57.810 58.000 -0.346 0.000 1.352 83 F CB 0.476 39.037 39.000 -0.733 0.000 1.081 83 F HN 0.076 nan 8.300 nan 0.000 0.605 84 G N 6.407 114.516 108.800 -1.152 0.000 2.741 84 G HA2 0.282 4.241 3.960 -0.001 0.000 0.301 84 G HA3 0.282 4.241 3.960 -0.001 0.000 0.301 84 G C -0.972 173.262 174.900 -1.110 0.000 0.834 84 G CA -0.440 44.124 45.100 -0.895 0.000 1.683 84 G HN 0.442 nan 8.290 nan 0.000 0.506 85 F N 2.860 122.618 119.950 -0.321 0.000 2.404 85 F HA 0.282 4.808 4.527 -0.001 0.000 0.345 85 F C -0.644 175.172 175.800 0.026 0.000 1.110 85 F CA -2.198 55.760 58.000 -0.071 0.000 1.130 85 F CB 2.034 41.189 39.000 0.259 0.000 1.129 85 F HN 0.318 nan 8.300 nan 0.000 0.500 86 P HA -0.072 nan 4.420 nan 0.000 0.250 86 P C -0.805 176.625 177.300 0.217 0.000 1.239 86 P CA 0.988 64.198 63.100 0.185 0.000 0.756 86 P CB -0.043 31.761 31.700 0.173 0.000 1.013 87 D N -1.674 118.914 120.400 0.313 0.000 2.751 87 D HA 0.171 4.811 4.640 -0.001 0.000 0.236 87 D C -0.405 176.106 176.300 0.353 0.000 1.196 87 D CA -0.323 53.856 54.000 0.300 0.000 0.741 87 D CB 0.393 41.398 40.800 0.341 0.000 1.474 87 D HN -0.142 nan 8.370 nan 0.000 0.452 88 T N -1.106 113.412 114.554 -0.061 0.000 3.641 88 T HA 0.219 4.569 4.350 -0.001 0.000 0.313 88 T C 0.972 175.236 174.700 -0.726 0.000 0.952 88 T CA 0.456 62.242 62.100 -0.524 0.000 1.004 88 T CB -0.474 68.323 68.868 -0.117 0.000 1.209 88 T HN 0.275 nan 8.240 nan 0.000 0.493 89 S N 1.331 116.693 115.700 -0.563 0.000 2.439 89 S HA 0.062 4.531 4.470 -0.001 0.000 0.224 89 S C 1.685 176.087 174.600 -0.330 0.000 1.029 89 S CA 0.152 58.154 58.200 -0.330 0.000 0.946 89 S CB -1.085 62.049 63.200 -0.110 0.000 0.797 89 S HN 0.578 nan 8.310 nan 0.000 0.504 90 F N 1.929 121.901 119.950 0.036 0.000 2.583 90 F HA 0.261 4.788 4.527 -0.001 0.000 0.297 90 F C 0.655 176.501 175.800 0.077 0.000 1.131 90 F CA -0.859 57.152 58.000 0.018 0.000 1.467 90 F CB -1.447 37.529 39.000 -0.039 0.000 1.097 90 F HN 0.482 nan 8.300 nan 0.000 0.586 91 Y N -0.633 119.404 120.300 -0.438 0.000 2.670 91 Y HA 0.565 5.114 4.550 -0.001 0.000 0.334 91 Y C -1.583 174.157 175.900 -0.268 0.000 1.185 91 Y CA -2.054 55.926 58.100 -0.200 0.000 1.053 91 Y CB 1.049 39.502 38.460 -0.011 0.000 1.298 91 Y HN -0.152 nan 8.280 nan 0.000 0.459 92 N N 3.408 121.762 118.700 -0.576 0.000 2.564 92 N HA 0.423 5.163 4.740 -0.001 0.000 0.248 92 N C -2.385 172.687 175.510 -0.730 0.000 0.986 92 N CA -2.846 49.823 53.050 -0.635 0.000 0.921 92 N CB 1.612 39.930 38.487 -0.282 0.000 1.136 92 N HN 0.442 nan 8.380 nan 0.000 0.509 93 P HA -0.018 nan 4.420 nan 0.000 0.242 93 P C -0.449 176.721 177.300 -0.216 0.000 1.198 93 P CA 0.856 63.634 63.100 -0.537 0.000 0.756 93 P CB 0.514 31.982 31.700 -0.386 0.000 0.911 94 D N -1.159 119.118 120.400 -0.205 0.000 2.716 94 D HA -0.014 4.626 4.640 -0.001 0.000 0.273 94 D C 1.828 178.071 176.300 -0.095 0.000 1.024 94 D CA 1.539 55.466 54.000 -0.121 0.000 0.944 94 D CB -0.123 40.609 40.800 -0.114 0.000 1.186 94 D HN 0.240 nan 8.370 nan 0.000 0.485 95 T N -1.343 113.149 114.554 -0.103 0.000 3.026 95 T HA 0.095 4.445 4.350 -0.001 0.000 0.245 95 T C 0.990 175.646 174.700 -0.074 0.000 1.004 95 T CA -0.182 61.873 62.100 -0.074 0.000 1.069 95 T CB 0.293 69.126 68.868 -0.058 0.000 1.005 95 T HN 0.116 nan 8.240 nan 0.000 0.472 96 Q N 0.682 120.447 119.800 -0.058 0.000 2.306 96 Q HA 0.691 5.031 4.340 -0.001 0.000 0.265 96 Q C -1.001 175.009 176.000 0.016 0.000 1.022 96 Q CA -1.214 54.575 55.803 -0.025 0.000 0.853 96 Q CB 1.980 30.741 28.738 0.040 0.000 1.327 96 Q HN 0.060 nan 8.270 nan 0.000 0.449 97 R N 1.648 122.054 120.500 -0.157 0.000 2.686 97 R HA 0.497 4.836 4.340 -0.001 0.000 0.286 97 R C -0.564 175.618 176.300 -0.197 0.000 0.969 97 R CA -0.892 55.067 56.100 -0.236 0.000 0.898 97 R CB 1.665 31.438 30.300 -0.879 0.000 1.183 97 R HN 0.645 nan 8.270 nan 0.000 0.456 98 L N 2.190 123.306 121.223 -0.179 0.000 2.417 98 L HA 0.425 4.764 4.340 -0.001 0.000 0.268 98 L C -0.065 176.844 176.870 0.064 0.000 1.158 98 L CA -0.466 54.257 54.840 -0.195 0.000 0.819 98 L CB 0.944 42.764 42.059 -0.400 0.000 1.112 98 L HN 0.220 nan 8.230 nan 0.000 0.458 99 V N 0.728 120.632 119.914 -0.016 0.000 2.888 99 V HA 0.354 4.474 4.120 -0.001 0.000 0.309 99 V C -0.757 175.258 176.094 -0.132 0.000 1.114 99 V CA -0.824 61.551 62.300 0.125 0.000 0.940 99 V CB 2.013 33.969 31.823 0.222 0.000 1.021 99 V HN 0.639 nan 8.190 nan 0.000 0.426 100 W N 1.769 123.069 121.300 0.000 0.000 2.253 100 W HA 0.741 5.401 4.660 -0.001 0.000 0.348 100 W C 0.291 176.811 176.519 0.002 0.000 1.229 100 W CA -0.032 57.305 57.345 -0.014 0.000 1.335 100 W CB 1.159 30.570 29.460 -0.081 0.000 1.165 100 W HN 0.730 nan 8.180 nan 0.000 0.631 101 A N 1.139 124.248 122.820 0.483 0.000 2.486 101 A HA 0.595 4.914 4.320 -0.001 0.000 0.300 101 A C -1.741 176.046 177.584 0.338 0.000 1.048 101 A CA -0.681 51.501 52.037 0.242 0.000 0.696 101 A CB 1.104 20.150 19.000 0.077 0.000 1.278 101 A HN 0.694 nan 8.150 nan 0.000 0.405 102 C N 2.758 122.148 119.300 0.151 0.000 2.329 102 C HA 0.667 5.126 4.460 -0.001 0.000 0.329 102 C C 1.387 176.280 174.990 -0.161 0.000 1.275 102 C CA 0.276 59.294 59.018 0.001 0.000 1.726 102 C CB 0.295 28.057 27.740 0.037 0.000 2.291 102 C HN 1.217 nan 8.230 nan 0.000 0.514 103 V N 3.470 123.235 119.914 -0.248 0.000 3.151 103 V HA 0.481 4.600 4.120 -0.001 0.000 0.241 103 V C 0.891 176.846 176.094 -0.232 0.000 1.173 103 V CA 0.864 63.000 62.300 -0.272 0.000 1.154 103 V CB -0.657 30.921 31.823 -0.408 0.000 0.898 103 V HN 0.926 nan 8.190 nan 0.000 0.473 104 G N 0.669 109.257 108.800 -0.353 0.000 2.502 104 G HA2 0.625 4.585 3.960 -0.001 0.000 0.311 104 G HA3 0.625 4.585 3.960 -0.001 0.000 0.311 104 G C -1.333 173.299 174.900 -0.446 0.000 1.270 104 G CA -0.304 44.650 45.100 -0.243 0.000 0.948 104 G HN 0.209 nan 8.290 nan 0.000 0.487 105 V N 1.684 121.311 119.914 -0.478 0.000 2.876 105 V HA 0.602 4.722 4.120 -0.001 0.000 0.312 105 V C -0.578 175.093 176.094 -0.704 0.000 1.085 105 V CA -0.835 61.094 62.300 -0.618 0.000 0.945 105 V CB 2.347 33.971 31.823 -0.331 0.000 1.017 105 V HN 0.813 nan 8.190 nan 0.000 0.428 106 E N 2.274 122.029 120.200 -0.741 0.000 2.283 106 E HA 0.476 4.826 4.350 -0.001 0.000 0.258 106 E C -1.750 174.586 176.600 -0.440 0.000 0.893 106 E CA -0.425 55.527 56.400 -0.746 0.000 0.798 106 E CB 2.091 31.429 29.700 -0.604 0.000 1.242 106 E HN 0.452 nan 8.360 nan 0.000 0.414 107 V N 4.039 123.880 119.914 -0.121 0.000 2.372 107 V HA 0.306 4.426 4.120 -0.001 0.000 0.261 107 V C 0.751 176.875 176.094 0.051 0.000 1.055 107 V CA -0.150 62.182 62.300 0.053 0.000 0.930 107 V CB 0.990 33.054 31.823 0.402 0.000 1.031 107 V HN 0.729 nan 8.190 nan 0.000 0.479 108 G N 6.046 114.803 108.800 -0.071 0.000 2.372 108 G HA2 0.332 4.292 3.960 -0.001 0.000 0.286 108 G HA3 0.332 4.292 3.960 -0.001 0.000 0.286 108 G C 0.033 174.882 174.900 -0.085 0.000 1.153 108 G CA -0.500 44.555 45.100 -0.077 0.000 0.985 108 G HN 0.452 nan 8.290 nan 0.000 0.429 109 R N 2.212 122.656 120.500 -0.095 0.000 2.265 109 R HA 0.359 4.699 4.340 -0.001 0.000 0.328 109 R C 0.615 176.828 176.300 -0.143 0.000 0.969 109 R CA -0.670 55.302 56.100 -0.214 0.000 0.832 109 R CB 1.832 32.011 30.300 -0.202 0.000 1.139 109 R HN 0.523 nan 8.270 nan 0.000 0.457 110 G N 2.775 111.482 108.800 -0.155 0.000 4.125 110 G HA2 0.131 4.090 3.960 -0.001 0.000 0.301 110 G HA3 0.131 4.090 3.960 -0.001 0.000 0.301 110 G C -0.125 174.735 174.900 -0.067 0.000 1.273 110 G CA -0.138 44.913 45.100 -0.082 0.000 1.095 110 G HN 0.265 nan 8.290 nan 0.000 0.582 111 Q N 0.835 120.591 119.800 -0.074 0.000 2.397 111 Q HA 0.348 4.687 4.340 -0.001 0.000 0.275 111 Q C -2.756 173.232 176.000 -0.019 0.000 1.090 111 Q CA -1.899 53.881 55.803 -0.038 0.000 0.809 111 Q CB 3.097 31.810 28.738 -0.042 0.000 1.362 111 Q HN 0.134 nan 8.270 nan 0.000 0.431 112 P HA 0.031 nan 4.420 nan 0.000 0.264 112 P C -0.321 176.986 177.300 0.011 0.000 1.193 112 P CA -0.325 62.778 63.100 0.004 0.000 0.763 112 P CB 0.545 32.249 31.700 0.007 0.000 0.810 113 L N 3.056 124.287 121.223 0.013 0.000 2.529 113 L HA 0.394 4.733 4.340 -0.001 0.000 0.287 113 L C 1.466 178.347 176.870 0.018 0.000 1.241 113 L CA 1.882 56.734 54.840 0.020 0.000 0.857 113 L CB -0.675 41.399 42.059 0.024 0.000 1.113 113 L HN 0.825 nan 8.230 nan 0.000 0.504 114 G N 0.960 109.771 108.800 0.019 0.000 2.322 114 G HA2 0.489 4.449 3.960 -0.001 0.000 0.295 114 G HA3 0.489 4.449 3.960 -0.001 0.000 0.295 114 G C -1.540 173.360 174.900 0.000 0.000 1.369 114 G CA -0.243 44.863 45.100 0.009 0.000 0.821 114 G HN 0.661 nan 8.290 nan 0.000 0.536 115 V N -1.088 118.819 119.914 -0.011 0.000 2.532 115 V HA 0.940 5.060 4.120 -0.001 0.000 0.295 115 V C 0.769 176.828 176.094 -0.059 0.000 1.041 115 V CA 0.063 62.350 62.300 -0.021 0.000 0.926 115 V CB 1.140 32.958 31.823 -0.008 0.000 0.992 115 V HN 1.632 nan 8.190 nan 0.000 0.457 116 G N 2.873 111.627 108.800 -0.077 0.000 2.434 116 G HA2 0.721 4.681 3.960 -0.001 0.000 0.330 116 G HA3 0.721 4.681 3.960 -0.001 0.000 0.330 116 G C -1.065 173.779 174.900 -0.093 0.000 1.155 116 G CA -0.792 44.232 45.100 -0.127 0.000 0.917 116 G HN 0.967 nan 8.290 nan 0.000 0.493 117 I N -0.128 120.382 120.570 -0.100 0.000 2.686 117 I HA 0.629 4.798 4.170 -0.001 0.000 0.295 117 I C -0.921 175.188 176.117 -0.012 0.000 1.114 117 I CA -0.588 60.669 61.300 -0.071 0.000 1.038 117 I CB 2.236 40.223 38.000 -0.022 0.000 1.238 117 I HN 0.500 nan 8.210 nan 0.000 0.420 118 S N 3.529 119.203 115.700 -0.042 0.000 2.546 118 S HA 0.929 5.399 4.470 -0.001 0.000 0.274 118 S C -0.464 174.232 174.600 0.160 0.000 1.121 118 S CA -0.524 57.803 58.200 0.211 0.000 0.887 118 S CB 2.110 65.346 63.200 0.060 0.000 1.094 118 S HN 0.972 nan 8.310 nan 0.000 0.474 119 G N 0.711 109.693 108.800 0.304 0.000 2.663 119 G HA2 0.621 4.580 3.960 -0.001 0.000 0.299 119 G HA3 0.621 4.580 3.960 -0.001 0.000 0.299 119 G C -2.231 172.775 174.900 0.177 0.000 1.372 119 G CA -0.393 44.809 45.100 0.170 0.000 0.781 119 G HN 0.631 nan 8.290 nan 0.000 0.491 120 H N -0.115 118.985 119.070 0.050 0.000 2.877 120 H HA 0.442 4.998 4.556 -0.001 0.000 0.347 120 H C -2.267 173.055 175.328 -0.010 0.000 1.042 120 H CA -1.630 54.431 56.048 0.021 0.000 1.276 120 H CB 2.913 32.686 29.762 0.018 0.000 1.681 120 H HN 0.121 nan 8.280 nan 0.000 0.521 121 P HA -0.015 nan 4.420 nan 0.000 0.217 121 P C 0.215 177.641 177.300 0.209 0.000 1.150 121 P CA 1.116 64.327 63.100 0.185 0.000 0.832 121 P CB 0.355 32.108 31.700 0.089 0.000 0.787 122 L N -0.862 120.565 121.223 0.340 0.000 2.719 122 L HA 0.329 4.668 4.340 -0.001 0.000 0.236 122 L C -0.069 176.551 176.870 -0.418 0.000 1.221 122 L CA -1.005 53.785 54.840 -0.084 0.000 1.048 122 L CB 0.004 42.023 42.059 -0.066 0.000 1.364 122 L HN -0.104 nan 8.230 nan 0.000 0.447 123 L N 0.847 121.890 121.223 -0.300 0.000 2.416 123 L HA 0.233 4.573 4.340 -0.001 0.000 0.272 123 L C 0.897 177.620 176.870 -0.246 0.000 1.161 123 L CA 0.417 55.067 54.840 -0.316 0.000 0.845 123 L CB 0.502 42.511 42.059 -0.083 0.000 1.119 123 L HN 0.308 nan 8.230 nan 0.000 0.464 124 N N 4.847 123.372 118.700 -0.292 0.000 2.814 124 N HA -0.028 4.711 4.740 -0.001 0.000 0.304 124 N C -0.921 174.497 175.510 -0.154 0.000 1.211 124 N CA 0.278 53.187 53.050 -0.236 0.000 1.158 124 N CB -0.419 37.901 38.487 -0.278 0.000 1.458 124 N HN 0.564 nan 8.380 nan 0.000 0.519 125 K N 3.060 123.405 120.400 -0.092 0.000 2.324 125 K HA 0.169 4.488 4.320 -0.001 0.000 0.253 125 K C -0.033 176.517 176.600 -0.083 0.000 0.932 125 K CA -0.600 55.677 56.287 -0.016 0.000 0.799 125 K CB 1.689 34.069 32.500 -0.200 0.000 1.154 125 K HN 0.210 nan 8.250 nan 0.000 0.425 126 L N 3.060 124.270 121.223 -0.022 0.000 2.255 126 L HA 0.248 4.588 4.340 -0.001 0.000 0.196 126 L C -0.199 176.630 176.870 -0.070 0.000 1.202 126 L CA 1.529 56.349 54.840 -0.033 0.000 0.819 126 L CB -0.120 41.948 42.059 0.014 0.000 1.006 126 L HN 0.909 nan 8.230 nan 0.000 0.480 127 D N -2.336 118.048 120.400 -0.028 0.000 2.732 127 D HA 0.331 4.970 4.640 -0.001 0.000 0.292 127 D C -1.561 174.764 176.300 0.042 0.000 1.135 127 D CA -0.618 53.363 54.000 -0.030 0.000 1.071 127 D CB 0.440 41.242 40.800 0.004 0.000 1.457 127 D HN 0.094 nan 8.370 nan 0.000 0.547 128 D N -1.771 118.670 120.400 0.068 0.000 2.249 128 D HA 0.384 5.024 4.640 -0.001 0.000 0.246 128 D C 0.308 176.680 176.300 0.120 0.000 1.114 128 D CA -0.413 53.694 54.000 0.179 0.000 0.854 128 D CB 1.282 42.167 40.800 0.142 0.000 1.132 128 D HN 0.395 nan 8.370 nan 0.000 0.461 129 T N 0.643 115.273 114.554 0.126 0.000 3.001 129 T HA 0.036 4.385 4.350 -0.001 0.000 0.251 129 T C 1.493 176.190 174.700 -0.004 0.000 1.040 129 T CA -0.203 61.933 62.100 0.060 0.000 0.985 129 T CB -0.004 68.912 68.868 0.080 0.000 1.011 129 T HN 0.545 nan 8.240 nan 0.000 0.509 130 E N 2.436 122.645 120.200 0.015 0.000 2.049 130 E HA -0.198 4.152 4.350 -0.001 0.000 0.198 130 E C 0.553 177.140 176.600 -0.020 0.000 1.007 130 E CA 1.224 57.615 56.400 -0.016 0.000 0.809 130 E CB 0.087 29.799 29.700 0.021 0.000 0.749 130 E HN 0.501 nan 8.360 nan 0.000 0.450 131 N N -1.132 117.569 118.700 0.001 0.000 2.406 131 N HA 0.412 5.151 4.740 -0.001 0.000 0.283 131 N C -1.895 173.609 175.510 -0.009 0.000 1.074 131 N CA -0.012 53.031 53.050 -0.012 0.000 0.916 131 N CB 1.963 40.448 38.487 -0.004 0.000 1.639 131 N HN 0.207 nan 8.380 nan 0.000 0.485 132 A N 1.208 124.013 122.820 -0.027 0.000 2.430 132 A HA 0.678 4.997 4.320 -0.001 0.000 0.300 132 A C 0.411 177.981 177.584 -0.023 0.000 1.124 132 A CA -0.039 51.981 52.037 -0.028 0.000 0.766 132 A CB 1.149 20.116 19.000 -0.056 0.000 1.328 132 A HN 0.920 nan 8.150 nan 0.000 0.424 133 S N -0.918 114.775 115.700 -0.012 0.000 2.520 133 S HA 0.628 5.097 4.470 -0.001 0.000 0.219 133 S C 0.456 175.061 174.600 0.008 0.000 1.028 133 S CA 0.823 59.023 58.200 -0.001 0.000 0.921 133 S CB 0.122 63.326 63.200 0.005 0.000 0.844 133 S HN 2.358 nan 8.310 nan 0.000 0.495 134 A N 0.084 122.910 122.820 0.010 0.000 2.566 134 A HA 0.573 4.892 4.320 -0.001 0.000 0.290 134 A C -1.766 175.854 177.584 0.060 0.000 1.071 134 A CA -0.863 51.199 52.037 0.042 0.000 0.658 134 A CB -0.160 18.872 19.000 0.054 0.000 1.285 134 A HN 0.354 nan 8.150 nan 0.000 0.427 135 Y N 1.310 121.615 120.300 0.010 0.000 2.526 135 Y HA 0.385 4.935 4.550 -0.001 0.000 0.330 135 Y C 1.008 176.912 175.900 0.007 0.000 1.156 135 Y CA 0.651 58.757 58.100 0.009 0.000 1.419 135 Y CB 0.615 39.080 38.460 0.008 0.000 1.250 135 Y HN 0.992 nan 8.280 nan 0.000 0.540 136 A N 4.529 127.533 122.820 0.306 0.000 2.386 136 A HA 0.570 4.890 4.320 -0.001 0.000 0.248 136 A C -0.248 177.449 177.584 0.188 0.000 1.082 136 A CA -0.145 51.997 52.037 0.176 0.000 0.789 136 A CB -0.074 18.983 19.000 0.095 0.000 1.025 136 A HN 0.914 nan 8.150 nan 0.000 0.490 137 A N 2.458 125.334 122.820 0.092 0.000 2.363 137 A HA 0.480 4.799 4.320 -0.001 0.000 0.270 137 A C 0.472 178.083 177.584 0.045 0.000 1.121 137 A CA -0.580 51.490 52.037 0.054 0.000 0.800 137 A CB -0.307 18.710 19.000 0.028 0.000 1.052 137 A HN 0.917 nan 8.150 nan 0.000 0.493 138 N N 0.234 118.949 118.700 0.026 0.000 2.206 138 N HA 0.218 4.957 4.740 -0.001 0.000 0.226 138 N C 0.090 175.604 175.510 0.007 0.000 1.272 138 N CA 1.366 54.423 53.050 0.013 0.000 0.863 138 N CB 0.220 38.704 38.487 -0.005 0.000 1.092 138 N HN 0.818 nan 8.380 nan 0.000 0.440 139 A N 0.695 123.515 122.820 0.000 0.000 2.280 139 A HA 0.590 4.909 4.320 -0.001 0.000 0.320 139 A C 1.225 178.800 177.584 -0.014 0.000 1.366 139 A CA -0.263 51.769 52.037 -0.009 0.000 0.938 139 A CB -0.242 18.751 19.000 -0.012 0.000 1.157 139 A HN 0.663 nan 8.150 nan 0.000 0.536 140 G N 1.185 109.975 108.800 -0.016 0.000 1.876 140 G HA2 0.158 4.117 3.960 -0.001 0.000 0.432 140 G HA3 0.158 4.117 3.960 -0.001 0.000 0.432 140 G C 0.197 175.084 174.900 -0.022 0.000 1.334 140 G CA 0.986 46.075 45.100 -0.018 0.000 1.071 140 G HN 1.015 nan 8.290 nan 0.000 0.435 141 V N 0.380 120.280 119.914 -0.024 0.000 2.604 141 V HA 0.454 4.573 4.120 -0.001 0.000 0.305 141 V C -0.254 175.819 176.094 -0.034 0.000 1.043 141 V CA 0.000 62.283 62.300 -0.029 0.000 0.888 141 V CB 1.619 33.426 31.823 -0.026 0.000 0.995 141 V HN 0.848 nan 8.190 nan 0.000 0.429 142 D N 3.189 123.564 120.400 -0.042 0.000 3.187 142 D HA -0.161 4.479 4.640 -0.001 0.000 0.244 142 D C 0.550 176.819 176.300 -0.051 0.000 1.114 142 D CA 0.558 54.529 54.000 -0.050 0.000 0.920 142 D CB -0.555 40.219 40.800 -0.043 0.000 0.970 142 D HN 0.784 nan 8.370 nan 0.000 0.418 143 N N 0.491 119.157 118.700 -0.056 0.000 2.336 143 N HA 0.041 4.781 4.740 -0.001 0.000 0.189 143 N C 0.221 175.685 175.510 -0.076 0.000 1.113 143 N CA -0.094 52.921 53.050 -0.058 0.000 0.858 143 N CB 0.304 38.758 38.487 -0.055 0.000 0.970 143 N HN 0.379 nan 8.380 nan 0.000 0.471 144 R N 1.356 121.803 120.500 -0.087 0.000 2.678 144 R HA -0.003 4.337 4.340 -0.001 0.000 0.264 144 R C 0.159 176.400 176.300 -0.098 0.000 0.995 144 R CA 0.682 56.715 56.100 -0.112 0.000 1.098 144 R CB 0.199 30.420 30.300 -0.132 0.000 0.949 144 R HN 0.308 nan 8.270 nan 0.000 0.422 145 E N 0.597 120.732 120.200 -0.107 0.000 2.446 145 E HA 0.276 4.625 4.350 -0.001 0.000 0.267 145 E C -1.123 175.443 176.600 -0.057 0.000 0.955 145 E CA -0.970 55.380 56.400 -0.083 0.000 0.842 145 E CB 1.615 31.250 29.700 -0.108 0.000 1.504 145 E HN 0.524 nan 8.360 nan 0.000 0.438 146 C N 1.753 121.032 119.300 -0.034 0.000 2.251 146 C HA 0.697 5.156 4.460 -0.001 0.000 0.323 146 C C -0.387 174.606 174.990 0.005 0.000 1.241 146 C CA -0.177 58.844 59.018 0.004 0.000 1.601 146 C CB -1.821 25.925 27.740 0.011 0.000 2.251 146 C HN 0.506 nan 8.230 nan 0.000 0.488 147 I N 5.190 125.783 120.570 0.039 0.000 2.934 147 I HA 0.634 4.804 4.170 -0.001 0.000 0.306 147 I C 0.282 176.463 176.117 0.107 0.000 1.110 147 I CA 0.092 61.433 61.300 0.069 0.000 1.019 147 I CB 2.750 40.809 38.000 0.097 0.000 1.227 147 I HN 0.810 nan 8.210 nan 0.000 0.434 148 S N 4.490 120.249 115.700 0.098 0.000 2.998 148 S HA 0.876 5.346 4.470 -0.001 0.000 0.321 148 S C -0.667 173.964 174.600 0.051 0.000 1.171 148 S CA -0.733 57.517 58.200 0.083 0.000 0.882 148 S CB 2.306 65.544 63.200 0.063 0.000 1.301 148 S HN 0.730 nan 8.310 nan 0.000 0.629 149 M N -0.528 119.051 119.600 -0.035 0.000 3.612 149 M HA 0.413 4.892 4.480 -0.001 0.000 0.329 149 M C -2.669 173.513 176.300 -0.196 0.000 1.364 149 M CA -0.705 54.538 55.300 -0.095 0.000 0.902 149 M CB 1.074 33.631 32.600 -0.072 0.000 1.951 149 M HN 0.743 nan 8.290 nan 0.000 0.524 150 D N 1.141 121.423 120.400 -0.197 0.000 2.421 150 D HA 0.410 5.049 4.640 -0.001 0.000 0.254 150 D C -0.971 175.256 176.300 -0.122 0.000 1.238 150 D CA -0.196 53.708 54.000 -0.160 0.000 0.919 150 D CB 0.499 41.249 40.800 -0.083 0.000 1.152 150 D HN 0.626 nan 8.370 nan 0.000 0.552 151 Y N 1.439 121.713 120.300 -0.044 0.000 2.536 151 Y HA -0.170 4.380 4.550 -0.001 0.000 0.354 151 Y C 1.646 177.505 175.900 -0.067 0.000 1.266 151 Y CA -0.252 57.809 58.100 -0.065 0.000 1.494 151 Y CB 0.673 39.123 38.460 -0.016 0.000 1.355 151 Y HN 0.318 nan 8.280 nan 0.000 0.683 152 K N 1.986 122.463 120.400 0.130 0.000 2.383 152 K HA 0.035 4.354 4.320 -0.001 0.000 0.286 152 K C -0.597 176.048 176.600 0.075 0.000 1.051 152 K CA -0.367 55.953 56.287 0.055 0.000 0.974 152 K CB 0.466 32.977 32.500 0.018 0.000 0.968 152 K HN 0.516 nan 8.250 nan 0.000 0.475 153 Q N 2.570 122.415 119.800 0.075 0.000 2.264 153 Q HA -0.021 4.319 4.340 -0.001 0.000 0.296 153 Q C -0.837 175.212 176.000 0.083 0.000 1.103 153 Q CA 0.840 56.691 55.803 0.080 0.000 0.967 153 Q CB 0.395 29.180 28.738 0.079 0.000 1.090 153 Q HN 0.724 nan 8.270 nan 0.000 0.379 154 T N 4.053 118.659 114.554 0.086 0.000 2.937 154 T HA 0.310 4.659 4.350 -0.001 0.000 0.297 154 T C -0.931 173.844 174.700 0.126 0.000 0.991 154 T CA -0.671 61.488 62.100 0.099 0.000 0.990 154 T CB 1.491 70.405 68.868 0.076 0.000 0.991 154 T HN 0.519 nan 8.240 nan 0.000 0.440 155 Q N 3.059 122.953 119.800 0.158 0.000 2.337 155 Q HA 0.627 4.966 4.340 -0.001 0.000 0.264 155 Q C -1.500 174.629 176.000 0.216 0.000 1.007 155 Q CA -0.853 55.095 55.803 0.241 0.000 0.727 155 Q CB 0.723 29.575 28.738 0.189 0.000 1.256 155 Q HN 0.692 nan 8.270 nan 0.000 0.467 156 L N 0.372 121.789 121.223 0.324 0.000 2.415 156 L HA 0.909 5.248 4.340 -0.001 0.000 0.256 156 L C -1.622 175.507 176.870 0.431 0.000 1.010 156 L CA -0.858 54.140 54.840 0.262 0.000 0.826 156 L CB 2.011 44.205 42.059 0.225 0.000 1.405 156 L HN 0.535 nan 8.230 nan 0.000 0.410 157 C N 2.777 122.185 119.300 0.180 0.000 2.482 157 C HA 0.846 5.306 4.460 -0.001 0.000 0.317 157 C C -0.956 174.059 174.990 0.043 0.000 1.197 157 C CA -0.540 58.586 59.018 0.178 0.000 1.432 157 C CB 0.620 28.470 27.740 0.184 0.000 2.062 157 C HN 0.867 nan 8.230 nan 0.000 0.471 158 L N 6.913 128.222 121.223 0.144 0.000 2.356 158 L HA 0.652 4.992 4.340 -0.001 0.000 0.277 158 L C -0.552 176.427 176.870 0.182 0.000 0.996 158 L CA -0.522 54.396 54.840 0.129 0.000 0.822 158 L CB 1.525 43.658 42.059 0.122 0.000 1.256 158 L HN 0.534 nan 8.230 nan 0.000 0.413 159 I N 2.298 123.006 120.570 0.230 0.000 2.418 159 I HA 0.777 4.946 4.170 -0.001 0.000 0.287 159 I C 0.230 176.425 176.117 0.130 0.000 1.008 159 I CA -0.325 61.192 61.300 0.361 0.000 1.104 159 I CB 2.017 40.396 38.000 0.633 0.000 1.264 159 I HN 0.744 nan 8.210 nan 0.000 0.438 160 G N 3.032 111.779 108.800 -0.088 0.000 2.623 160 G HA2 0.372 4.332 3.960 -0.001 0.000 0.290 160 G HA3 0.372 4.332 3.960 -0.001 0.000 0.290 160 G C -0.043 174.707 174.900 -0.250 0.000 1.437 160 G CA -0.402 44.334 45.100 -0.606 0.000 0.798 160 G HN 0.737 nan 8.290 nan 0.000 0.488 161 C N -1.453 117.692 119.300 -0.259 0.000 2.865 161 C HA 0.537 4.996 4.460 -0.001 0.000 0.280 161 C C 0.450 175.339 174.990 -0.167 0.000 1.255 161 C CA -0.375 58.559 59.018 -0.139 0.000 1.705 161 C CB -0.696 27.069 27.740 0.041 0.000 2.080 161 C HN 0.345 nan 8.230 nan 0.000 0.591 162 K N 2.148 122.517 120.400 -0.051 0.000 2.185 162 K HA 0.595 4.914 4.320 -0.001 0.000 0.240 162 K C -2.780 174.024 176.600 0.338 0.000 0.983 162 K CA -2.415 53.920 56.287 0.080 0.000 0.873 162 K CB 0.721 33.225 32.500 0.007 0.000 1.118 162 K HN 0.122 nan 8.250 nan 0.000 0.441 163 P HA 0.176 nan 4.420 nan 0.000 0.275 163 P C -2.429 174.742 177.300 -0.216 0.000 1.228 163 P CA -1.177 61.739 63.100 -0.307 0.000 0.786 163 P CB 0.147 31.443 31.700 -0.673 0.000 0.927 164 P HA 0.187 nan 4.420 nan 0.000 0.268 164 P C -0.299 176.869 177.300 -0.221 0.000 1.208 164 P CA 0.438 63.417 63.100 -0.201 0.000 0.777 164 P CB 0.561 32.138 31.700 -0.205 0.000 0.875 165 I N 1.286 121.730 120.570 -0.210 0.000 2.410 165 I HA 0.349 4.519 4.170 -0.001 0.000 0.286 165 I C 1.007 176.974 176.117 -0.249 0.000 1.009 165 I CA -0.415 60.760 61.300 -0.208 0.000 1.111 165 I CB 1.748 39.651 38.000 -0.162 0.000 1.262 165 I HN 0.344 nan 8.210 nan 0.000 0.443 166 G N 4.677 113.330 108.800 -0.245 0.000 2.547 166 G HA2 0.639 4.598 3.960 -0.001 0.000 0.291 166 G HA3 0.639 4.598 3.960 -0.001 0.000 0.291 166 G C -0.693 174.119 174.900 -0.147 0.000 1.211 166 G CA -0.281 44.677 45.100 -0.236 0.000 0.950 166 G HN 0.663 nan 8.290 nan 0.000 0.504 167 E N -0.941 119.192 120.200 -0.112 0.000 2.378 167 E HA 0.699 5.049 4.350 -0.001 0.000 0.265 167 E C -0.870 175.744 176.600 0.023 0.000 0.932 167 E CA -1.022 55.313 56.400 -0.108 0.000 0.795 167 E CB 2.358 31.929 29.700 -0.215 0.000 1.296 167 E HN 0.764 nan 8.360 nan 0.000 0.438 168 H N -1.671 117.242 119.070 -0.262 0.000 2.969 168 H HA 0.238 4.794 4.556 -0.001 0.000 0.304 168 H C -1.809 173.360 175.328 -0.266 0.000 1.400 168 H CA -1.243 54.666 56.048 -0.232 0.000 1.182 168 H CB -0.293 29.403 29.762 -0.109 0.000 1.865 168 H HN 0.649 nan 8.280 nan 0.000 0.512 169 W N 0.347 121.549 121.300 -0.163 0.000 2.298 169 W HA 0.634 5.293 4.660 -0.001 0.000 0.358 169 W C 0.701 177.121 176.519 -0.166 0.000 1.241 169 W CA 0.594 57.818 57.345 -0.203 0.000 1.385 169 W CB 1.584 31.004 29.460 -0.067 0.000 1.225 169 W HN 0.973 nan 8.180 nan 0.000 0.654 170 G N 0.170 109.065 108.800 0.158 0.000 2.554 170 G HA2 0.329 4.289 3.960 -0.001 0.000 0.306 170 G HA3 0.329 4.289 3.960 -0.001 0.000 0.306 170 G C -1.980 172.980 174.900 0.101 0.000 1.320 170 G CA -1.089 44.082 45.100 0.118 0.000 0.800 170 G HN 0.267 nan 8.290 nan 0.000 0.481 171 K N 0.495 120.940 120.400 0.074 0.000 2.299 171 K HA 0.489 4.809 4.320 -0.001 0.000 0.268 171 K C 0.166 176.792 176.600 0.043 0.000 1.075 171 K CA -0.413 55.907 56.287 0.054 0.000 0.936 171 K CB 0.407 32.932 32.500 0.042 0.000 1.228 171 K HN 0.607 nan 8.250 nan 0.000 0.454 172 G N 2.848 111.674 108.800 0.043 0.000 2.807 172 G HA2 0.054 4.014 3.960 -0.001 0.000 0.316 172 G HA3 0.054 4.014 3.960 -0.001 0.000 0.316 172 G C -0.278 174.638 174.900 0.025 0.000 0.900 172 G CA -0.317 44.801 45.100 0.030 0.000 1.499 172 G HN 0.655 nan 8.290 nan 0.000 0.484 173 S N 2.320 118.033 115.700 0.021 0.000 4.234 173 S HA -0.134 4.336 4.470 -0.001 0.000 0.500 173 S C -0.966 173.643 174.600 0.015 0.000 1.062 173 S CA -0.141 58.068 58.200 0.016 0.000 0.852 173 S CB 0.211 63.417 63.200 0.012 0.000 1.045 173 S HN 0.590 nan 8.310 nan 0.000 0.429 174 P HA -0.060 nan 4.420 nan 0.000 0.283 174 P C -0.209 177.098 177.300 0.011 0.000 1.613 174 P CA -0.061 63.046 63.100 0.012 0.000 1.293 174 P CB 0.402 32.107 31.700 0.009 0.000 0.976 175 C N -0.415 118.891 119.300 0.009 0.000 2.340 175 C HA 0.277 4.737 4.460 -0.001 0.000 0.323 175 C C -0.113 174.881 174.990 0.007 0.000 1.260 175 C CA -0.130 58.893 59.018 0.008 0.000 1.464 175 C CB 0.066 27.811 27.740 0.008 0.000 2.156 175 C HN 0.429 nan 8.230 nan 0.000 0.476 176 T N 5.359 119.917 114.554 0.006 0.000 2.825 176 T HA 0.360 4.710 4.350 -0.001 0.000 0.270 176 T C -0.438 174.264 174.700 0.004 0.000 0.919 176 T CA 0.458 62.561 62.100 0.005 0.000 1.159 176 T CB -0.379 68.491 68.868 0.004 0.000 0.889 176 T HN 0.841 nan 8.240 nan 0.000 0.565 177 Q N 0.396 120.198 119.800 0.003 0.000 2.920 177 Q HA 0.252 4.591 4.340 -0.001 0.000 0.255 177 Q C -0.967 175.034 176.000 0.003 0.000 0.976 177 Q CA -1.162 54.642 55.803 0.003 0.000 0.862 177 Q CB 0.889 29.628 28.738 0.003 0.000 1.952 177 Q HN 0.267 nan 8.270 nan 0.000 0.489 178 V N -0.194 119.721 119.914 0.002 0.000 5.882 178 V HA -0.271 3.848 4.120 -0.001 0.000 0.179 178 V C 0.759 176.854 176.094 0.001 0.000 0.704 178 V CA 1.265 63.565 62.300 0.001 0.000 0.539 178 V CB -1.615 30.208 31.823 0.001 0.000 0.377 178 V HN 0.962 nan 8.190 nan 0.000 0.413 179 A N 3.774 126.595 122.820 0.001 0.000 2.626 179 A HA 0.472 4.792 4.320 -0.001 0.000 0.238 179 A C 0.867 178.451 177.584 0.000 0.000 1.641 179 A CA 0.456 52.493 52.037 0.001 0.000 1.449 179 A CB -0.945 18.055 19.000 0.001 0.000 0.888 179 A HN 2.144 nan 8.150 nan 0.000 0.628 180 V N -2.427 117.487 119.914 0.000 0.000 3.836 180 V HA -0.218 3.902 4.120 -0.001 0.000 0.545 180 V C 0.248 176.340 176.094 -0.002 0.000 0.688 180 V CA 0.874 63.173 62.300 -0.001 0.000 2.111 180 V CB -0.600 31.222 31.823 -0.001 0.000 2.499 180 V HN 0.882 nan 8.190 nan 0.000 0.522 181 Q N 4.433 124.231 119.800 -0.003 0.000 2.331 181 Q HA 0.381 4.721 4.340 -0.001 0.000 0.257 181 Q C -2.485 173.512 176.000 -0.005 0.000 0.957 181 Q CA -2.287 53.514 55.803 -0.004 0.000 0.923 181 Q CB 1.366 30.102 28.738 -0.004 0.000 1.212 181 Q HN 0.708 nan 8.270 nan 0.000 0.443 182 P HA -0.116 nan 4.420 nan 0.000 0.252 182 P C 0.292 177.587 177.300 -0.008 0.000 1.136 182 P CA 1.775 64.871 63.100 -0.006 0.000 0.778 182 P CB 0.073 31.769 31.700 -0.006 0.000 0.722 183 G N 3.473 112.268 108.800 -0.008 0.000 3.131 183 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.198 183 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.198 183 G C 0.077 174.971 174.900 -0.010 0.000 1.435 183 G CA -0.288 44.805 45.100 -0.011 0.000 1.016 183 G HN 0.497 nan 8.290 nan 0.000 0.499 184 D N 1.760 122.156 120.400 -0.007 0.000 3.011 184 D HA 0.261 4.901 4.640 -0.001 0.000 0.268 184 D C 1.130 177.426 176.300 -0.007 0.000 1.410 184 D CA 1.091 55.087 54.000 -0.007 0.000 1.475 184 D CB -0.725 40.072 40.800 -0.004 0.000 1.180 184 D HN 0.755 nan 8.370 nan 0.000 0.569 185 C N 3.217 122.511 119.300 -0.010 0.000 1.210 185 C HA -0.179 4.280 4.460 -0.001 0.000 0.488 185 C C -1.619 173.366 174.990 -0.008 0.000 1.372 185 C CA -1.280 57.731 59.018 -0.011 0.000 1.809 185 C CB -0.203 27.527 27.740 -0.017 0.000 3.229 185 C HN 0.492 nan 8.230 nan 0.000 0.532 186 P HA 0.221 nan 4.420 nan 0.000 0.267 186 P C -2.448 174.851 177.300 -0.001 0.000 1.200 186 P CA -0.354 62.748 63.100 0.003 0.000 0.772 186 P CB 0.043 31.750 31.700 0.011 0.000 0.855 187 P HA 0.139 nan 4.420 nan 0.000 0.280 187 P C -0.469 176.850 177.300 0.031 0.000 1.300 187 P CA -0.008 63.100 63.100 0.015 0.000 0.785 187 P CB 0.256 31.969 31.700 0.022 0.000 0.874 188 L N 3.303 124.537 121.223 0.018 0.000 2.466 188 L HA 0.418 4.757 4.340 -0.001 0.000 0.257 188 L C 0.705 177.681 176.870 0.177 0.000 1.189 188 L CA 0.300 55.181 54.840 0.069 0.000 0.813 188 L CB -0.068 41.935 42.059 -0.094 0.000 1.118 188 L HN 0.455 nan 8.230 nan 0.000 0.471 189 E N 1.415 121.799 120.200 0.306 0.000 2.397 189 E HA 0.151 4.501 4.350 -0.001 0.000 0.293 189 E C -1.638 175.031 176.600 0.115 0.000 0.930 189 E CA -0.789 55.759 56.400 0.247 0.000 0.793 189 E CB 1.746 31.501 29.700 0.092 0.000 1.259 189 E HN 0.338 nan 8.360 nan 0.000 0.406 190 L N 5.822 126.993 121.223 -0.087 0.000 2.534 190 L HA 0.311 4.650 4.340 -0.001 0.000 0.271 190 L C -0.900 175.728 176.870 -0.404 0.000 1.178 190 L CA 0.758 55.223 54.840 -0.625 0.000 0.907 190 L CB 0.116 41.659 42.059 -0.860 0.000 1.164 190 L HN 0.485 nan 8.230 nan 0.000 0.482 191 I N 5.886 126.141 120.570 -0.525 0.000 2.406 191 I HA 0.329 4.498 4.170 -0.001 0.000 0.290 191 I C -0.070 175.899 176.117 -0.246 0.000 0.999 191 I CA -0.645 60.433 61.300 -0.371 0.000 1.124 191 I CB 1.246 38.949 38.000 -0.495 0.000 1.289 191 I HN 0.614 nan 8.210 nan 0.000 0.441 192 N N 3.685 122.305 118.700 -0.132 0.000 2.495 192 N HA 0.492 5.232 4.740 -0.001 0.000 0.280 192 N C -0.395 175.101 175.510 -0.024 0.000 1.168 192 N CA -0.168 52.828 53.050 -0.090 0.000 0.978 192 N CB 2.246 40.673 38.487 -0.100 0.000 1.191 192 N HN 0.549 nan 8.380 nan 0.000 0.497 193 T N -1.532 113.000 114.554 -0.036 0.000 2.893 193 T HA 0.148 4.497 4.350 -0.001 0.000 0.337 193 T C -1.400 173.250 174.700 -0.083 0.000 1.587 193 T CA -0.665 61.425 62.100 -0.016 0.000 1.066 193 T CB 0.594 69.483 68.868 0.035 0.000 1.414 193 T HN 0.066 nan 8.240 nan 0.000 0.488 194 V N 4.792 124.667 119.914 -0.066 0.000 2.450 194 V HA 0.281 4.400 4.120 -0.001 0.000 0.281 194 V C 0.689 176.699 176.094 -0.141 0.000 1.019 194 V CA -0.029 62.172 62.300 -0.164 0.000 1.062 194 V CB -0.114 31.490 31.823 -0.365 0.000 0.979 194 V HN 0.666 nan 8.190 nan 0.000 0.477 195 I N 6.179 126.622 120.570 -0.211 0.000 2.379 195 I HA 0.209 4.378 4.170 -0.001 0.000 0.290 195 I C 0.612 176.650 176.117 -0.131 0.000 1.063 195 I CA 0.295 61.422 61.300 -0.288 0.000 1.351 195 I CB 0.289 37.943 38.000 -0.577 0.000 1.410 195 I HN 0.666 nan 8.210 nan 0.000 0.505 196 Q N 4.522 124.255 119.800 -0.113 0.000 2.241 196 Q HA 0.264 4.603 4.340 -0.001 0.000 0.262 196 Q C -0.519 175.441 176.000 -0.067 0.000 1.014 196 Q CA -0.957 54.776 55.803 -0.116 0.000 0.885 196 Q CB 1.814 30.395 28.738 -0.261 0.000 1.311 196 Q HN 0.516 nan 8.270 nan 0.000 0.461 197 D N -0.541 119.826 120.400 -0.054 0.000 2.390 197 D HA 0.158 4.797 4.640 -0.001 0.000 0.249 197 D C 0.449 176.731 176.300 -0.030 0.000 1.144 197 D CA 1.186 55.186 54.000 -0.000 0.000 0.880 197 D CB 0.691 41.496 40.800 0.008 0.000 1.182 197 D HN 0.775 nan 8.370 nan 0.000 0.451 198 G N 3.859 112.671 108.800 0.021 0.000 2.284 198 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.201 198 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.201 198 G C 0.087 175.013 174.900 0.043 0.000 0.998 198 G CA -0.161 44.945 45.100 0.009 0.000 0.651 198 G HN 0.589 nan 8.290 nan 0.000 0.489 199 D N 1.266 121.704 120.400 0.065 0.000 2.339 199 D HA 0.525 5.165 4.640 -0.001 0.000 0.245 199 D C 0.855 177.262 176.300 0.179 0.000 1.115 199 D CA 0.126 54.167 54.000 0.068 0.000 0.917 199 D CB 0.596 41.380 40.800 -0.026 0.000 1.192 199 D HN 0.001 nan 8.370 nan 0.000 0.428 200 M N 1.622 121.301 119.600 0.131 0.000 2.144 200 M HA 0.162 4.642 4.480 -0.001 0.000 0.356 200 M C 0.252 176.660 176.300 0.180 0.000 1.217 200 M CA -0.886 54.492 55.300 0.130 0.000 1.087 200 M CB 0.856 33.510 32.600 0.091 0.000 1.609 200 M HN 0.165 nan 8.290 nan 0.000 0.467 201 V N 0.101 120.075 119.914 0.100 0.000 3.766 201 V HA 0.236 4.356 4.120 -0.001 0.000 0.286 201 V C 0.463 176.604 176.094 0.078 0.000 1.055 201 V CA -0.772 61.561 62.300 0.054 0.000 1.060 201 V CB 0.150 31.859 31.823 -0.191 0.000 1.210 201 V HN 0.763 nan 8.190 nan 0.000 0.457 202 D N 0.340 120.802 120.400 0.104 0.000 2.423 202 D HA 0.265 4.904 4.640 -0.001 0.000 0.238 202 D C 0.968 177.248 176.300 -0.034 0.000 1.142 202 D CA 0.876 54.911 54.000 0.059 0.000 0.884 202 D CB 1.340 42.155 40.800 0.025 0.000 1.199 202 D HN 1.031 nan 8.370 nan 0.000 0.438 203 T N -0.458 114.060 114.554 -0.061 0.000 3.087 203 T HA 0.432 4.781 4.350 -0.001 0.000 0.283 203 T C 1.096 175.781 174.700 -0.026 0.000 0.956 203 T CA 0.401 62.382 62.100 -0.199 0.000 0.894 203 T CB 0.415 68.772 68.868 -0.852 0.000 1.160 203 T HN 0.556 nan 8.240 nan 0.000 0.532 204 G N 0.915 109.690 108.800 -0.042 0.000 2.421 204 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.188 204 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.188 204 G C 0.302 175.083 174.900 -0.199 0.000 1.001 204 G CA -0.268 44.744 45.100 -0.146 0.000 0.693 204 G HN 0.455 nan 8.290 nan 0.000 0.479 205 F N 2.364 122.432 119.950 0.197 0.000 2.692 205 F HA 0.448 4.974 4.527 -0.001 0.000 0.303 205 F C 1.702 177.666 175.800 0.272 0.000 1.114 205 F CA 0.905 59.054 58.000 0.248 0.000 1.361 205 F CB 0.602 39.762 39.000 0.266 0.000 1.063 205 F HN 0.683 nan 8.300 nan 0.000 0.550 206 G N 0.805 109.785 108.800 0.299 0.000 2.758 206 G HA2 0.066 4.026 3.960 -0.001 0.000 0.686 206 G HA3 0.066 4.026 3.960 -0.001 0.000 0.686 206 G C -0.738 174.299 174.900 0.229 0.000 1.389 206 G CA -0.800 44.447 45.100 0.244 0.000 0.845 206 G HN 0.517 nan 8.290 nan 0.000 0.572 207 A N 1.356 124.292 122.820 0.194 0.000 2.276 207 A HA 0.926 5.246 4.320 -0.001 0.000 0.300 207 A C 0.557 178.266 177.584 0.208 0.000 1.235 207 A CA 0.952 53.082 52.037 0.154 0.000 0.867 207 A CB 0.181 19.277 19.000 0.161 0.000 1.137 207 A HN 2.207 nan 8.150 nan 0.000 0.527 208 M N 0.550 120.139 119.600 -0.017 0.000 3.644 208 M HA 0.529 5.008 4.480 -0.001 0.000 0.311 208 M C -2.134 174.005 176.300 -0.268 0.000 1.411 208 M CA -0.825 54.484 55.300 0.016 0.000 0.878 208 M CB 1.269 33.907 32.600 0.064 0.000 1.848 208 M HN 0.407 nan 8.290 nan 0.000 0.502 209 D N 0.319 120.660 120.400 -0.099 0.000 2.425 209 D HA 0.514 5.154 4.640 -0.001 0.000 0.240 209 D C -0.530 175.715 176.300 -0.091 0.000 1.080 209 D CA -0.403 53.520 54.000 -0.128 0.000 0.836 209 D CB 1.004 41.844 40.800 0.066 0.000 1.125 209 D HN 0.569 nan 8.370 nan 0.000 0.525 210 F N 1.037 121.033 119.950 0.076 0.000 2.270 210 F HA -0.079 4.447 4.527 -0.001 0.000 0.295 210 F C 2.437 178.259 175.800 0.037 0.000 1.087 210 F CA 0.424 58.456 58.000 0.054 0.000 1.365 210 F CB 0.081 39.113 39.000 0.053 0.000 1.056 210 F HN 0.312 nan 8.300 nan 0.000 0.506 211 T N -1.127 113.547 114.554 0.200 0.000 2.778 211 T HA -0.237 4.112 4.350 -0.001 0.000 0.269 211 T C 1.895 176.649 174.700 0.090 0.000 1.050 211 T CA 2.046 64.216 62.100 0.117 0.000 1.137 211 T CB -0.568 68.348 68.868 0.080 0.000 0.860 211 T HN 0.420 nan 8.240 nan 0.000 0.468 212 T N -1.620 112.988 114.554 0.091 0.000 3.040 212 T HA 0.321 4.671 4.350 -0.001 0.000 0.266 212 T C 1.505 176.248 174.700 0.071 0.000 1.005 212 T CA -0.350 61.791 62.100 0.070 0.000 0.906 212 T CB 0.065 68.970 68.868 0.062 0.000 1.082 212 T HN 0.135 nan 8.240 nan 0.000 0.531 213 L N 0.278 121.559 121.223 0.097 0.000 2.470 213 L HA 0.416 4.755 4.340 -0.001 0.000 0.219 213 L C 0.428 177.340 176.870 0.069 0.000 1.071 213 L CA 0.785 55.678 54.840 0.087 0.000 0.850 213 L CB -0.132 42.001 42.059 0.122 0.000 1.040 213 L HN 0.452 nan 8.230 nan 0.000 0.475 214 Q N -0.838 119.016 119.800 0.089 0.000 2.363 214 Q HA 0.418 4.757 4.340 -0.001 0.000 0.265 214 Q C 0.545 176.563 176.000 0.031 0.000 1.032 214 Q CA -0.131 55.697 55.803 0.042 0.000 0.746 214 Q CB 2.053 30.812 28.738 0.035 0.000 1.237 214 Q HN 0.083 nan 8.270 nan 0.000 0.475 215 A N 2.850 125.674 122.820 0.007 0.000 1.970 215 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 215 A C 1.816 179.390 177.584 -0.016 0.000 1.170 215 A CA 1.201 53.239 52.037 0.001 0.000 0.645 215 A CB -0.238 18.759 19.000 -0.005 0.000 0.816 215 A HN 0.798 nan 8.150 nan 0.000 0.447 216 N N 0.249 118.925 118.700 -0.040 0.000 2.060 216 N HA -0.277 4.462 4.740 -0.001 0.000 0.195 216 N C 0.820 176.295 175.510 -0.059 0.000 1.028 216 N CA 2.179 55.189 53.050 -0.066 0.000 0.861 216 N CB -0.295 38.130 38.487 -0.105 0.000 1.029 216 N HN 0.508 nan 8.380 nan 0.000 0.428 217 K N -1.255 119.118 120.400 -0.044 0.000 3.338 217 K HA -0.148 4.172 4.320 -0.001 0.000 0.292 217 K C -1.241 175.361 176.600 0.002 0.000 1.268 217 K CA 0.914 57.201 56.287 -0.000 0.000 0.853 217 K CB -1.870 30.641 32.500 0.018 0.000 1.342 217 K HN 0.433 nan 8.250 nan 0.000 0.501 218 S N -1.031 114.597 115.700 -0.120 0.000 2.754 218 S HA 0.151 4.620 4.470 -0.001 0.000 0.145 218 S C -0.232 174.145 174.600 -0.371 0.000 0.915 218 S CA -0.633 57.375 58.200 -0.320 0.000 0.981 218 S CB 0.245 63.091 63.200 -0.590 0.000 1.697 218 S HN 0.306 nan 8.310 nan 0.000 0.543 219 E N 0.794 120.795 120.200 -0.331 0.000 2.562 219 E HA 0.294 4.643 4.350 -0.001 0.000 0.214 219 E C 0.249 176.503 176.600 -0.577 0.000 0.979 219 E CA 0.144 56.256 56.400 -0.480 0.000 1.002 219 E CB 1.594 31.004 29.700 -0.484 0.000 1.048 219 E HN 0.693 nan 8.360 nan 0.000 0.488 220 V N -2.092 117.595 119.914 -0.378 0.000 3.048 220 V HA 0.400 4.520 4.120 -0.001 0.000 0.303 220 V C -3.025 173.114 176.094 0.075 0.000 1.214 220 V CA -3.029 59.112 62.300 -0.265 0.000 0.984 220 V CB 1.549 33.034 31.823 -0.563 0.000 1.054 220 V HN -0.242 nan 8.190 nan 0.000 0.430 221 P HA -0.084 nan 4.420 nan 0.000 0.270 221 P C 0.957 178.447 177.300 0.317 0.000 1.167 221 P CA 0.378 63.683 63.100 0.342 0.000 0.759 221 P CB 0.330 32.303 31.700 0.454 0.000 0.777 222 L N 3.220 124.599 121.223 0.259 0.000 2.064 222 L HA -0.275 4.065 4.340 -0.001 0.000 0.216 222 L C 1.921 178.995 176.870 0.340 0.000 1.077 222 L CA 2.603 57.546 54.840 0.172 0.000 0.766 222 L CB -1.322 40.763 42.059 0.043 0.000 0.890 222 L HN 0.536 nan 8.230 nan 0.000 0.435 223 D N -1.224 119.465 120.400 0.481 0.000 2.263 223 D HA -0.208 4.431 4.640 -0.001 0.000 0.208 223 D C 1.783 178.246 176.300 0.273 0.000 0.971 223 D CA 1.972 56.190 54.000 0.363 0.000 0.867 223 D CB -0.368 40.611 40.800 0.298 0.000 0.929 223 D HN 0.587 nan 8.370 nan 0.000 0.492 224 I N -0.998 119.737 120.570 0.276 0.000 3.300 224 I HA 0.052 4.222 4.170 -0.001 0.000 0.279 224 I C 2.156 178.444 176.117 0.286 0.000 1.172 224 I CA 0.132 61.604 61.300 0.286 0.000 1.431 224 I CB -0.861 37.319 38.000 0.300 0.000 1.240 224 I HN 0.131 nan 8.210 nan 0.000 0.453 225 C N 1.769 121.144 119.300 0.125 0.000 2.403 225 C HA -0.189 4.271 4.460 -0.001 0.000 0.282 225 C C 2.430 177.531 174.990 0.185 0.000 1.200 225 C CA 1.530 60.600 59.018 0.087 0.000 1.846 225 C CB -2.694 25.105 27.740 0.098 0.000 2.115 225 C HN 0.744 nan 8.230 nan 0.000 0.497 226 T N -2.481 112.182 114.554 0.183 0.000 3.134 226 T HA 0.411 4.761 4.350 -0.001 0.000 0.260 226 T C 0.335 175.119 174.700 0.139 0.000 1.027 226 T CA 0.359 62.544 62.100 0.140 0.000 0.913 226 T CB -0.068 68.860 68.868 0.101 0.000 1.046 226 T HN 0.673 nan 8.240 nan 0.000 0.553 227 S N 0.743 116.562 115.700 0.197 0.000 2.811 227 S HA 0.811 5.280 4.470 -0.001 0.000 0.311 227 S C -1.154 173.483 174.600 0.062 0.000 1.152 227 S CA -1.014 57.263 58.200 0.127 0.000 0.864 227 S CB 0.940 64.214 63.200 0.123 0.000 1.226 227 S HN 0.160 nan 8.310 nan 0.000 0.541 228 I N 0.641 121.179 120.570 -0.054 0.000 2.404 228 I HA 0.381 4.550 4.170 -0.001 0.000 0.293 228 I C -0.793 175.230 176.117 -0.155 0.000 0.992 228 I CA -0.285 60.887 61.300 -0.213 0.000 1.149 228 I CB 1.200 38.999 38.000 -0.335 0.000 1.315 228 I HN 0.578 nan 8.210 nan 0.000 0.446 229 C N 5.916 125.099 119.300 -0.196 0.000 2.239 229 C HA 0.418 4.877 4.460 -0.001 0.000 0.325 229 C C 0.332 175.333 174.990 0.018 0.000 1.231 229 C CA -0.667 58.330 59.018 -0.034 0.000 1.652 229 C CB -0.687 27.055 27.740 0.004 0.000 2.284 229 C HN 0.633 nan 8.230 nan 0.000 0.499 230 K N 2.949 123.405 120.400 0.093 0.000 2.274 230 K HA 0.421 4.741 4.320 -0.001 0.000 0.262 230 K C -1.265 175.481 176.600 0.243 0.000 0.961 230 K CA -0.452 55.884 56.287 0.081 0.000 0.833 230 K CB 1.658 34.102 32.500 -0.093 0.000 1.102 230 K HN 0.618 nan 8.250 nan 0.000 0.436 231 Y N 4.217 124.525 120.300 0.012 0.000 2.377 231 Y HA 0.334 4.884 4.550 -0.001 0.000 0.339 231 Y C -2.470 173.326 175.900 -0.173 0.000 1.011 231 Y CA -2.846 55.251 58.100 -0.005 0.000 1.093 231 Y CB 1.430 39.873 38.460 -0.029 0.000 1.201 231 Y HN 0.451 nan 8.280 nan 0.000 0.455 232 P HA -0.038 nan 4.420 nan 0.000 0.260 232 P C -0.641 175.991 177.300 -1.114 0.000 1.207 232 P CA 0.390 62.913 63.100 -0.961 0.000 0.780 232 P CB 0.212 31.202 31.700 -1.184 0.000 0.789 233 D N 3.139 123.187 120.400 -0.587 0.000 2.542 233 D HA -0.061 4.578 4.640 -0.001 0.000 0.242 233 D C 0.834 176.913 176.300 -0.368 0.000 1.207 233 D CA 0.352 54.108 54.000 -0.407 0.000 1.172 233 D CB -0.509 40.150 40.800 -0.236 0.000 1.126 233 D HN 0.375 nan 8.370 nan 0.000 0.500 234 Y N 1.839 121.967 120.300 -0.288 0.000 2.014 234 Y HA -0.315 4.234 4.550 -0.001 0.000 0.270 234 Y C 2.440 178.229 175.900 -0.185 0.000 1.145 234 Y CA 0.199 58.107 58.100 -0.320 0.000 1.106 234 Y CB -0.138 38.121 38.460 -0.336 0.000 0.968 234 Y HN 0.280 nan 8.280 nan 0.000 0.484 235 I N 0.737 121.336 120.570 0.048 0.000 2.141 235 I HA -0.452 3.718 4.170 -0.001 0.000 0.243 235 I C 2.279 178.394 176.117 -0.003 0.000 1.035 235 I CA 2.030 63.347 61.300 0.028 0.000 1.302 235 I CB -1.340 36.675 38.000 0.025 0.000 1.006 235 I HN 0.340 nan 8.210 nan 0.000 0.413 236 K N 0.303 120.678 120.400 -0.041 0.000 2.103 236 K HA -0.070 4.249 4.320 -0.001 0.000 0.204 236 K C 2.250 178.827 176.600 -0.037 0.000 1.052 236 K CA 0.943 57.204 56.287 -0.043 0.000 0.945 236 K CB 0.046 32.504 32.500 -0.069 0.000 0.722 236 K HN 0.251 nan 8.250 nan 0.000 0.443 237 M N 0.364 119.928 119.600 -0.059 0.000 2.229 237 M HA -0.135 4.345 4.480 -0.001 0.000 0.264 237 M C 2.111 178.407 176.300 -0.006 0.000 1.063 237 M CA 1.009 56.280 55.300 -0.048 0.000 1.114 237 M CB -0.013 32.534 32.600 -0.088 0.000 1.387 237 M HN -0.029 nan 8.290 nan 0.000 0.420 238 V N -0.118 119.795 119.914 -0.001 0.000 2.283 238 V HA -0.187 3.932 4.120 -0.001 0.000 0.243 238 V C 2.212 178.341 176.094 0.058 0.000 1.039 238 V CA 2.040 64.364 62.300 0.040 0.000 1.016 238 V CB -0.572 31.278 31.823 0.044 0.000 0.650 238 V HN 0.429 nan 8.190 nan 0.000 0.449 239 S N -0.414 115.311 115.700 0.041 0.000 2.500 239 S HA -0.118 4.351 4.470 -0.001 0.000 0.239 239 S C 0.903 175.528 174.600 0.041 0.000 0.989 239 S CA 0.392 58.618 58.200 0.043 0.000 0.951 239 S CB -0.475 62.743 63.200 0.029 0.000 0.759 239 S HN 0.719 nan 8.310 nan 0.000 0.523 240 E N 3.394 123.618 120.200 0.039 0.000 2.829 240 E HA -0.087 4.263 4.350 -0.001 0.000 0.264 240 E C -1.171 175.473 176.600 0.072 0.000 0.922 240 E CA -0.706 55.726 56.400 0.052 0.000 0.960 240 E CB 0.438 30.173 29.700 0.059 0.000 0.918 240 E HN 0.105 nan 8.360 nan 0.000 0.497 241 P HA -0.160 nan 4.420 nan 0.000 0.213 241 P C 0.683 177.944 177.300 -0.065 0.000 1.170 241 P CA 1.382 64.443 63.100 -0.064 0.000 0.889 241 P CB -0.236 31.336 31.700 -0.213 0.000 0.782 242 Y N 0.390 120.724 120.300 0.058 0.000 2.680 242 Y HA 0.144 4.693 4.550 -0.001 0.000 0.303 242 Y C 1.833 177.870 175.900 0.228 0.000 1.166 242 Y CA 0.797 58.971 58.100 0.122 0.000 1.344 242 Y CB -1.389 37.118 38.460 0.078 0.000 1.002 242 Y HN 0.063 nan 8.280 nan 0.000 0.537 243 G N 0.888 109.861 108.800 0.287 0.000 2.450 243 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.302 243 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.302 243 G C 0.410 175.452 174.900 0.236 0.000 0.957 243 G CA 0.953 46.207 45.100 0.256 0.000 1.005 243 G HN 0.428 nan 8.290 nan 0.000 0.514 244 D N -0.293 120.228 120.400 0.201 0.000 2.271 244 D HA 0.077 4.716 4.640 -0.001 0.000 0.206 244 D C 2.559 178.828 176.300 -0.053 0.000 0.967 244 D CA 0.994 55.075 54.000 0.136 0.000 0.867 244 D CB 0.040 40.937 40.800 0.161 0.000 0.960 244 D HN 0.401 nan 8.370 nan 0.000 0.509 245 S N 0.591 116.271 115.700 -0.033 0.000 2.444 245 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 245 S C 1.042 175.516 174.600 -0.210 0.000 1.042 245 S CA 1.019 59.164 58.200 -0.091 0.000 1.132 245 S CB -0.568 62.595 63.200 -0.061 0.000 1.099 245 S HN 0.396 nan 8.310 nan 0.000 0.417 246 L N -1.784 119.334 121.223 -0.174 0.000 2.371 246 L HA 0.704 5.044 4.340 -0.001 0.000 0.262 246 L C -0.151 176.704 176.870 -0.024 0.000 1.006 246 L CA -1.026 53.695 54.840 -0.199 0.000 0.818 246 L CB 1.608 43.635 42.059 -0.054 0.000 1.354 246 L HN 0.286 nan 8.230 nan 0.000 0.415 247 F N 0.246 120.308 119.950 0.186 0.000 2.658 247 F HA 0.508 5.034 4.527 -0.001 0.000 0.293 247 F C -0.115 175.846 175.800 0.270 0.000 0.986 247 F CA -0.881 57.241 58.000 0.204 0.000 1.182 247 F CB -0.264 38.841 39.000 0.175 0.000 0.965 247 F HN 0.327 nan 8.300 nan 0.000 0.659 248 F N 2.623 122.960 119.950 0.644 0.000 2.507 248 F HA 0.652 5.178 4.527 -0.001 0.000 0.325 248 F C -1.235 174.713 175.800 0.247 0.000 1.116 248 F CA -2.190 55.981 58.000 0.285 0.000 0.930 248 F CB 1.650 40.742 39.000 0.154 0.000 1.146 248 F HN 0.134 nan 8.300 nan 0.000 0.447 249 Y N 5.652 125.254 120.300 -1.163 0.000 2.522 249 Y HA 0.619 5.169 4.550 -0.001 0.000 0.326 249 Y C -2.687 172.701 175.900 -0.853 0.000 1.198 249 Y CA -1.946 55.626 58.100 -0.880 0.000 1.112 249 Y CB 0.517 38.740 38.460 -0.394 0.000 1.342 249 Y HN 0.534 nan 8.280 nan 0.000 0.460 250 L N 2.618 123.402 121.223 -0.731 0.000 2.445 250 L HA 0.806 5.146 4.340 -0.001 0.000 0.262 250 L C -0.576 176.157 176.870 -0.228 0.000 0.974 250 L CA -1.822 52.687 54.840 -0.551 0.000 0.822 250 L CB 1.880 43.630 42.059 -0.515 0.000 1.339 250 L HN 0.929 nan 8.230 nan 0.000 0.409 251 R N 0.697 121.120 120.500 -0.128 0.000 2.856 251 R HA 0.980 5.319 4.340 -0.001 0.000 0.258 251 R C -0.787 175.510 176.300 -0.004 0.000 1.066 251 R CA -0.998 55.109 56.100 0.013 0.000 1.045 251 R CB 1.922 32.282 30.300 0.100 0.000 1.178 251 R HN 0.655 nan 8.270 nan 0.000 0.499 252 R N 0.635 121.172 120.500 0.061 0.000 2.983 252 R HA 0.113 4.453 4.340 -0.001 0.000 0.290 252 R C -1.891 174.460 176.300 0.086 0.000 1.327 252 R CA -0.212 55.917 56.100 0.048 0.000 1.062 252 R CB 1.093 31.399 30.300 0.009 0.000 1.307 252 R HN 0.950 nan 8.270 nan 0.000 0.389 253 E N 3.414 123.672 120.200 0.096 0.000 2.266 253 E HA 0.458 4.808 4.350 -0.001 0.000 0.268 253 E C -1.347 175.300 176.600 0.078 0.000 0.879 253 E CA -1.096 55.364 56.400 0.101 0.000 0.762 253 E CB 2.534 32.315 29.700 0.135 0.000 1.199 253 E HN 0.520 nan 8.360 nan 0.000 0.422 254 Q N 3.039 122.884 119.800 0.075 0.000 2.377 254 Q HA 0.666 5.006 4.340 -0.001 0.000 0.279 254 Q C -1.040 175.013 176.000 0.089 0.000 1.049 254 Q CA -1.062 54.786 55.803 0.075 0.000 0.825 254 Q CB 2.648 31.427 28.738 0.069 0.000 1.401 254 Q HN 0.620 nan 8.270 nan 0.000 0.404 255 M N 2.672 122.339 119.600 0.111 0.000 2.790 255 M HA 0.679 5.159 4.480 -0.001 0.000 0.272 255 M C -2.208 174.219 176.300 0.212 0.000 1.168 255 M CA -0.539 54.830 55.300 0.116 0.000 0.829 255 M CB 2.339 34.957 32.600 0.030 0.000 1.675 255 M HN 0.992 nan 8.290 nan 0.000 0.505 256 F N 0.926 120.848 119.950 -0.047 0.000 2.779 256 F HA 0.764 5.290 4.527 -0.001 0.000 0.316 256 F C -1.589 174.160 175.800 -0.085 0.000 1.164 256 F CA -0.998 56.966 58.000 -0.059 0.000 0.924 256 F CB 0.575 39.542 39.000 -0.055 0.000 1.348 256 F HN 0.412 nan 8.300 nan 0.000 0.467 257 V N 1.462 121.365 119.914 -0.018 0.000 2.455 257 V HA 0.534 4.654 4.120 -0.001 0.000 0.273 257 V C 0.643 176.525 176.094 -0.352 0.000 1.045 257 V CA -0.267 61.902 62.300 -0.218 0.000 0.976 257 V CB 0.827 32.613 31.823 -0.062 0.000 0.993 257 V HN 1.084 nan 8.190 nan 0.000 0.475 258 R N 2.972 123.177 120.500 -0.492 0.000 2.062 258 R HA 0.290 4.630 4.340 -0.001 0.000 0.218 258 R C 0.539 176.535 176.300 -0.508 0.000 1.161 258 R CA 1.056 56.862 56.100 -0.490 0.000 0.994 258 R CB -0.057 29.997 30.300 -0.410 0.000 0.888 258 R HN 0.914 nan 8.270 nan 0.000 0.442 259 H N -2.082 116.752 119.070 -0.392 0.000 2.908 259 H HA 0.588 5.143 4.556 -0.001 0.000 0.350 259 H C -1.471 173.473 175.328 -0.640 0.000 1.217 259 H CA -0.841 54.900 56.048 -0.512 0.000 1.168 259 H CB 1.817 31.163 29.762 -0.694 0.000 1.891 259 H HN -0.071 nan 8.280 nan 0.000 0.566 260 L N 1.856 122.806 121.223 -0.455 0.000 2.441 260 L HA 0.399 4.738 4.340 -0.001 0.000 0.270 260 L C -1.298 175.459 176.870 -0.187 0.000 0.973 260 L CA -0.006 54.612 54.840 -0.371 0.000 0.842 260 L CB 1.011 42.966 42.059 -0.173 0.000 1.239 260 L HN 0.445 nan 8.230 nan 0.000 0.406 261 F N 0.693 120.435 119.950 -0.347 0.000 2.611 261 F HA 0.465 4.991 4.527 -0.001 0.000 0.324 261 F C 0.152 175.911 175.800 -0.069 0.000 1.061 261 F CA -1.069 56.740 58.000 -0.317 0.000 0.954 261 F CB 2.359 40.876 39.000 -0.806 0.000 1.301 261 F HN 0.448 nan 8.300 nan 0.000 0.482 262 N N 1.179 120.081 118.700 0.337 0.000 2.408 262 N HA 0.207 4.947 4.740 -0.001 0.000 0.280 262 N C -0.892 174.818 175.510 0.333 0.000 1.002 262 N CA -0.879 52.342 53.050 0.285 0.000 0.907 262 N CB 0.831 39.407 38.487 0.149 0.000 1.161 262 N HN 0.411 nan 8.380 nan 0.000 0.488 263 R N 2.087 122.767 120.500 0.299 0.000 2.446 263 R HA 0.067 4.406 4.340 -0.001 0.000 0.325 263 R C 0.088 176.382 176.300 -0.009 0.000 0.997 263 R CA -0.091 56.043 56.100 0.057 0.000 1.010 263 R CB -0.246 30.020 30.300 -0.057 0.000 0.946 263 R HN 0.525 nan 8.270 nan 0.000 0.422 264 A N 2.022 124.824 122.820 -0.029 0.000 2.406 264 A HA 0.547 4.866 4.320 -0.001 0.000 0.243 264 A C 0.911 178.459 177.584 -0.060 0.000 1.082 264 A CA 0.740 52.751 52.037 -0.043 0.000 0.786 264 A CB 0.245 19.210 19.000 -0.058 0.000 1.029 264 A HN 0.891 nan 8.150 nan 0.000 0.495 265 G N -0.860 107.910 108.800 -0.050 0.000 2.384 265 G HA2 0.399 4.359 3.960 -0.001 0.000 0.668 265 G HA3 0.399 4.359 3.960 -0.001 0.000 0.668 265 G C -0.103 174.771 174.900 -0.042 0.000 1.280 265 G CA 0.078 45.148 45.100 -0.051 0.000 0.992 265 G HN 2.153 nan 8.290 nan 0.000 0.512 266 T N -0.908 113.623 114.554 -0.039 0.000 2.761 266 T HA 0.544 4.893 4.350 -0.001 0.000 0.296 266 T C 0.833 175.514 174.700 -0.031 0.000 0.934 266 T CA 0.071 62.153 62.100 -0.031 0.000 1.091 266 T CB 0.936 69.787 68.868 -0.028 0.000 0.896 266 T HN 1.671 nan 8.240 nan 0.000 0.515 267 V N 4.333 124.231 119.914 -0.027 0.000 2.790 267 V HA 0.178 4.298 4.120 -0.001 0.000 0.304 267 V C 1.652 177.733 176.094 -0.021 0.000 1.142 267 V CA 1.057 63.342 62.300 -0.026 0.000 1.282 267 V CB -0.205 31.607 31.823 -0.018 0.000 0.877 267 V HN 1.180 nan 8.190 nan 0.000 0.504 268 G N 3.558 112.344 108.800 -0.022 0.000 2.742 268 G HA2 0.195 4.155 3.960 -0.001 0.000 0.204 268 G HA3 0.195 4.155 3.960 -0.001 0.000 0.204 268 G C 0.293 175.185 174.900 -0.012 0.000 1.126 268 G CA -0.017 45.071 45.100 -0.019 0.000 0.829 268 G HN 0.660 nan 8.290 nan 0.000 0.574 269 E N -0.125 120.069 120.200 -0.011 0.000 2.288 269 E HA 0.460 4.809 4.350 -0.001 0.000 0.268 269 E C -1.443 175.159 176.600 0.004 0.000 0.885 269 E CA -0.614 55.785 56.400 -0.002 0.000 0.767 269 E CB 2.024 31.723 29.700 -0.002 0.000 1.220 269 E HN 0.113 nan 8.360 nan 0.000 0.427 270 N N -0.058 118.652 118.700 0.018 0.000 2.430 270 N HA 0.319 5.058 4.740 -0.001 0.000 0.298 270 N C -1.254 174.287 175.510 0.053 0.000 1.130 270 N CA -0.542 52.527 53.050 0.031 0.000 0.894 270 N CB 1.485 39.995 38.487 0.039 0.000 1.209 270 N HN 0.079 nan 8.380 nan 0.000 0.503 271 V N 3.271 123.228 119.914 0.071 0.000 2.446 271 V HA 0.180 4.299 4.120 -0.001 0.000 0.276 271 V C -1.977 174.258 176.094 0.234 0.000 1.030 271 V CA -1.039 61.338 62.300 0.128 0.000 1.033 271 V CB 0.336 32.213 31.823 0.090 0.000 0.993 271 V HN 0.651 nan 8.190 nan 0.000 0.477 272 P HA 0.108 nan 4.420 nan 0.000 0.267 272 P C 0.042 177.407 177.300 0.107 0.000 1.205 272 P CA -0.296 62.873 63.100 0.114 0.000 0.765 272 P CB 0.369 32.110 31.700 0.069 0.000 0.828 273 D N 1.197 121.571 120.400 -0.044 0.000 2.370 273 D HA -0.117 4.522 4.640 -0.001 0.000 0.256 273 D C 0.311 176.365 176.300 -0.410 0.000 1.197 273 D CA 0.566 54.327 54.000 -0.398 0.000 0.922 273 D CB -0.643 40.008 40.800 -0.249 0.000 0.911 273 D HN 0.395 nan 8.370 nan 0.000 0.517 274 D N -0.501 119.767 120.400 -0.221 0.000 2.520 274 D HA -0.007 4.632 4.640 -0.001 0.000 0.223 274 D C 1.442 177.700 176.300 -0.069 0.000 1.186 274 D CA -0.203 53.713 54.000 -0.140 0.000 0.821 274 D CB -0.408 40.352 40.800 -0.066 0.000 1.072 274 D HN 0.264 nan 8.370 nan 0.000 0.518 275 L N -0.242 120.969 121.223 -0.020 0.000 2.567 275 L HA 0.213 4.553 4.340 -0.001 0.000 0.225 275 L C 0.354 177.388 176.870 0.273 0.000 1.119 275 L CA 0.148 55.074 54.840 0.144 0.000 0.871 275 L CB -0.468 41.729 42.059 0.230 0.000 1.036 275 L HN 0.100 nan 8.230 nan 0.000 0.459 276 Y N -2.202 118.116 120.300 0.031 0.000 2.953 276 Y HA 0.684 5.233 4.550 -0.001 0.000 0.321 276 Y C -1.043 174.875 175.900 0.029 0.000 1.514 276 Y CA -1.862 56.259 58.100 0.034 0.000 1.091 276 Y CB 0.849 39.336 38.460 0.044 0.000 1.700 276 Y HN -0.289 nan 8.280 nan 0.000 0.436 277 I N 1.367 122.106 120.570 0.283 0.000 2.740 277 I HA 0.391 4.560 4.170 -0.001 0.000 0.303 277 I C -0.560 175.707 176.117 0.251 0.000 1.044 277 I CA -1.539 59.828 61.300 0.111 0.000 1.064 277 I CB 1.830 39.882 38.000 0.087 0.000 1.249 277 I HN 0.451 nan 8.210 nan 0.000 0.433 278 K N 2.259 122.740 120.400 0.135 0.000 2.508 278 K HA 0.157 4.477 4.320 -0.001 0.000 0.273 278 K C 0.358 177.025 176.600 0.112 0.000 0.964 278 K CA 0.205 56.580 56.287 0.147 0.000 0.948 278 K CB 0.561 33.100 32.500 0.065 0.000 0.917 278 K HN 0.960 nan 8.250 nan 0.000 0.512 279 G N -0.560 108.286 108.800 0.077 0.000 3.175 279 G HA2 0.365 4.325 3.960 -0.001 0.000 0.153 279 G HA3 0.365 4.325 3.960 -0.001 0.000 0.153 279 G C -0.996 173.910 174.900 0.009 0.000 1.216 279 G CA -0.212 44.912 45.100 0.039 0.000 0.943 279 G HN 0.486 nan 8.290 nan 0.000 0.611 280 S N -0.837 114.854 115.700 -0.015 0.000 2.571 280 S HA 0.550 5.019 4.470 -0.001 0.000 0.238 280 S C 0.570 175.143 174.600 -0.046 0.000 1.153 280 S CA 0.714 58.904 58.200 -0.018 0.000 1.141 280 S CB 0.386 63.586 63.200 -0.001 0.000 1.133 280 S HN 2.560 nan 8.310 nan 0.000 0.464 281 G N 4.656 113.424 108.800 -0.054 0.000 2.557 281 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.292 281 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.292 281 G C 1.304 176.137 174.900 -0.113 0.000 1.162 281 G CA 1.155 46.218 45.100 -0.062 0.000 0.964 281 G HN 2.039 nan 8.290 nan 0.000 0.541 282 S N -0.328 115.300 115.700 -0.121 0.000 2.401 282 S HA -0.252 4.218 4.470 -0.001 0.000 0.236 282 S C 2.280 176.610 174.600 -0.451 0.000 1.058 282 S CA 3.917 61.989 58.200 -0.213 0.000 1.151 282 S CB -1.544 61.596 63.200 -0.099 0.000 1.049 282 S HN 2.346 nan 8.310 nan 0.000 0.432 283 T N -1.442 112.924 114.554 -0.314 0.000 3.272 283 T HA 0.647 4.996 4.350 -0.001 0.000 0.250 283 T C 0.933 175.502 174.700 -0.217 0.000 1.082 283 T CA 0.219 62.092 62.100 -0.378 0.000 0.968 283 T CB 0.051 68.912 68.868 -0.011 0.000 1.015 283 T HN 0.595 nan 8.240 nan 0.000 0.563 284 A N 0.920 123.628 122.820 -0.187 0.000 2.423 284 A HA 0.477 4.796 4.320 -0.001 0.000 0.246 284 A C 0.582 178.109 177.584 -0.096 0.000 1.278 284 A CA -0.592 51.393 52.037 -0.086 0.000 0.903 284 A CB -0.111 18.856 19.000 -0.055 0.000 0.997 284 A HN 0.422 nan 8.150 nan 0.000 0.510 285 N N 0.044 118.633 118.700 -0.184 0.000 2.640 285 N HA 0.382 5.122 4.740 -0.001 0.000 0.262 285 N C -1.376 174.037 175.510 -0.161 0.000 1.174 285 N CA -0.381 52.584 53.050 -0.142 0.000 0.791 285 N CB 0.481 38.897 38.487 -0.119 0.000 1.279 285 N HN 0.057 nan 8.380 nan 0.000 0.535 286 L N 1.777 122.956 121.223 -0.072 0.000 2.601 286 L HA 0.221 4.561 4.340 -0.001 0.000 0.277 286 L C 0.764 177.664 176.870 0.050 0.000 1.219 286 L CA 0.487 55.328 54.840 0.001 0.000 0.915 286 L CB 0.027 42.046 42.059 -0.067 0.000 1.160 286 L HN 0.565 nan 8.230 nan 0.000 0.494 287 A N 3.223 126.153 122.820 0.183 0.000 2.302 287 A HA 0.404 4.723 4.320 -0.001 0.000 0.285 287 A C 0.490 178.091 177.584 0.029 0.000 1.105 287 A CA -0.407 51.717 52.037 0.145 0.000 0.816 287 A CB 0.439 19.581 19.000 0.238 0.000 1.067 287 A HN 0.683 nan 8.150 nan 0.000 0.489 288 S N 0.748 116.442 115.700 -0.010 0.000 3.225 288 S HA -0.051 4.419 4.470 -0.001 0.000 0.378 288 S C 1.265 175.746 174.600 -0.199 0.000 1.190 288 S CA 0.747 58.901 58.200 -0.078 0.000 1.104 288 S CB -0.172 62.990 63.200 -0.063 0.000 0.795 288 S HN 1.139 nan 8.310 nan 0.000 0.517 289 S N 4.058 119.606 115.700 -0.253 0.000 2.634 289 S HA 0.166 4.636 4.470 -0.001 0.000 0.221 289 S C 0.425 174.646 174.600 -0.632 0.000 0.952 289 S CA -0.422 57.508 58.200 -0.451 0.000 0.930 289 S CB -0.548 62.535 63.200 -0.195 0.000 0.780 289 S HN 0.818 nan 8.310 nan 0.000 0.498 290 N N 2.240 120.687 118.700 -0.422 0.000 3.188 290 N HA 0.158 4.897 4.740 -0.001 0.000 0.279 290 N C -1.059 174.338 175.510 -0.189 0.000 1.213 290 N CA -0.314 52.589 53.050 -0.246 0.000 1.138 290 N CB 0.200 38.632 38.487 -0.092 0.000 1.417 290 N HN 0.413 nan 8.380 nan 0.000 0.526 291 Y N 1.257 121.628 120.300 0.118 0.000 2.511 291 Y HA 0.143 4.692 4.550 -0.000 0.000 0.347 291 Y C 0.388 176.447 175.900 0.264 0.000 1.257 291 Y CA -0.429 57.759 58.100 0.147 0.000 1.469 291 Y CB 0.174 38.669 38.460 0.058 0.000 1.353 291 Y HN 0.245 nan 8.280 nan 0.000 0.617 292 F N 0.089 120.187 119.950 0.247 0.000 2.650 292 F HA 0.784 5.311 4.527 -0.000 0.000 0.310 292 F C -3.617 172.302 175.800 0.199 0.000 1.112 292 F CA -2.740 55.386 58.000 0.211 0.000 0.986 292 F CB 2.035 41.127 39.000 0.153 0.000 1.285 292 F HN 0.144 nan 8.300 nan 0.000 0.440 293 P HA 0.414 nan 4.420 nan 0.000 0.301 293 P C -1.265 176.001 177.300 -0.057 0.000 1.361 293 P CA -0.493 62.487 63.100 -0.200 0.000 0.994 293 P CB 2.297 33.945 31.700 -0.087 0.000 1.234 294 T N 0.456 114.868 114.554 -0.237 0.000 2.909 294 T HA 0.533 4.883 4.350 -0.001 0.000 0.286 294 T C -2.085 172.437 174.700 -0.298 0.000 1.002 294 T CA -1.818 60.200 62.100 -0.136 0.000 1.074 294 T CB 0.969 69.752 68.868 -0.142 0.000 0.984 294 T HN 0.330 nan 8.240 nan 0.000 0.495 295 P HA 0.493 nan 4.420 nan 0.000 0.321 295 P C -0.860 176.184 177.300 -0.428 0.000 1.304 295 P CA -0.792 62.082 63.100 -0.377 0.000 0.759 295 P CB 1.451 32.950 31.700 -0.336 0.000 1.385 296 S N -1.268 114.159 115.700 -0.455 0.000 2.461 296 S HA 0.434 4.904 4.470 -0.001 0.000 0.245 296 S C -0.253 174.247 174.600 -0.166 0.000 1.039 296 S CA -0.599 57.332 58.200 -0.448 0.000 1.077 296 S CB -0.786 61.782 63.200 -1.052 0.000 1.171 296 S HN 0.633 nan 8.310 nan 0.000 0.433 297 G N 3.309 112.086 108.800 -0.037 0.000 2.469 297 G HA2 0.334 4.293 3.960 -0.001 0.000 0.293 297 G HA3 0.334 4.293 3.960 -0.001 0.000 0.293 297 G C 0.423 175.378 174.900 0.092 0.000 0.982 297 G CA 0.145 45.277 45.100 0.052 0.000 1.401 297 G HN 0.767 nan 8.290 nan 0.000 0.453 298 S N 2.732 118.537 115.700 0.176 0.000 2.606 298 S HA 0.170 4.639 4.470 -0.001 0.000 0.257 298 S C 1.195 175.849 174.600 0.090 0.000 1.327 298 S CA -0.731 57.573 58.200 0.173 0.000 0.984 298 S CB 0.211 63.531 63.200 0.199 0.000 0.941 298 S HN 0.616 nan 8.310 nan 0.000 0.576 299 M N 3.628 123.268 119.600 0.067 0.000 2.508 299 M HA -0.055 4.424 4.480 -0.001 0.000 0.447 299 M C -0.255 176.067 176.300 0.037 0.000 1.654 299 M CA -0.063 55.261 55.300 0.040 0.000 0.944 299 M CB -0.558 32.058 32.600 0.025 0.000 2.088 299 M HN 0.519 nan 8.290 nan 0.000 0.506 300 V N 3.454 123.390 119.914 0.037 0.000 2.673 300 V HA 0.337 4.456 4.120 -0.001 0.000 0.303 300 V C 0.232 176.343 176.094 0.029 0.000 1.046 300 V CA -0.202 62.121 62.300 0.038 0.000 1.126 300 V CB 0.946 32.793 31.823 0.040 0.000 0.934 300 V HN 0.858 nan 8.190 nan 0.000 0.487 301 T N 2.362 116.934 114.554 0.029 0.000 2.861 301 T HA 0.387 4.736 4.350 -0.001 0.000 0.287 301 T C 0.934 175.647 174.700 0.023 0.000 1.003 301 T CA 0.272 62.384 62.100 0.020 0.000 0.977 301 T CB 1.862 70.738 68.868 0.013 0.000 0.996 301 T HN 0.972 nan 8.240 nan 0.000 0.448 302 S N 2.993 118.705 115.700 0.019 0.000 2.359 302 S HA -0.137 4.333 4.470 -0.001 0.000 0.223 302 S C 1.199 175.806 174.600 0.011 0.000 1.039 302 S CA 2.283 60.494 58.200 0.018 0.000 1.042 302 S CB -0.813 62.393 63.200 0.011 0.000 0.915 302 S HN 0.907 nan 8.310 nan 0.000 0.439 303 D N 0.827 121.229 120.400 0.005 0.000 2.436 303 D HA -0.011 4.628 4.640 -0.001 0.000 0.229 303 D C 0.678 176.977 176.300 -0.002 0.000 1.011 303 D CA 0.905 54.905 54.000 -0.001 0.000 1.003 303 D CB -0.166 40.632 40.800 -0.003 0.000 0.857 303 D HN 0.400 nan 8.370 nan 0.000 0.514 304 A N -0.398 122.424 122.820 0.003 0.000 2.569 304 A HA 0.069 4.388 4.320 -0.001 0.000 0.284 304 A C 0.367 177.948 177.584 -0.005 0.000 0.948 304 A CA -0.494 51.542 52.037 -0.002 0.000 1.007 304 A CB 0.445 19.449 19.000 0.005 0.000 1.232 304 A HN -0.073 nan 8.150 nan 0.000 0.530 305 Q N 0.085 119.887 119.800 0.003 0.000 2.373 305 Q HA 0.220 4.559 4.340 -0.001 0.000 0.255 305 Q C 0.536 176.484 176.000 -0.086 0.000 0.980 305 Q CA -0.034 55.775 55.803 0.010 0.000 0.882 305 Q CB 1.002 29.775 28.738 0.059 0.000 1.249 305 Q HN 0.339 nan 8.270 nan 0.000 0.438 306 I N 0.492 120.912 120.570 -0.251 0.000 4.070 306 I HA 0.131 4.300 4.170 -0.001 0.000 0.328 306 I C 0.349 176.041 176.117 -0.707 0.000 1.298 306 I CA 0.399 61.362 61.300 -0.561 0.000 1.173 306 I CB -0.218 37.147 38.000 -1.057 0.000 1.051 306 I HN 0.359 nan 8.210 nan 0.000 0.409 307 F N 0.199 120.223 119.950 0.123 0.000 2.572 307 F HA 0.419 4.945 4.527 -0.001 0.000 0.342 307 F C 1.352 177.135 175.800 -0.028 0.000 1.064 307 F CA -0.832 57.230 58.000 0.103 0.000 1.008 307 F CB 0.335 39.385 39.000 0.083 0.000 1.303 307 F HN -0.186 nan 8.300 nan 0.000 0.492 308 N N -0.499 118.252 118.700 0.084 0.000 2.909 308 N HA -0.243 4.497 4.740 -0.001 0.000 0.242 308 N C -0.603 174.812 175.510 -0.159 0.000 0.975 308 N CA 1.006 54.024 53.050 -0.053 0.000 0.921 308 N CB -0.706 37.776 38.487 -0.008 0.000 1.112 308 N HN 0.590 nan 8.380 nan 0.000 0.581 309 K N 0.501 120.759 120.400 -0.237 0.000 2.203 309 K HA 0.497 4.817 4.320 -0.001 0.000 0.251 309 K C -2.779 173.343 176.600 -0.798 0.000 0.944 309 K CA -2.060 54.010 56.287 -0.361 0.000 0.829 309 K CB 1.783 34.162 32.500 -0.203 0.000 1.125 309 K HN -0.164 nan 8.250 nan 0.000 0.430 310 P HA 0.168 nan 4.420 nan 0.000 0.297 310 P C -1.558 174.959 177.300 -1.305 0.000 1.319 310 P CA -0.307 62.086 63.100 -1.179 0.000 0.810 310 P CB 0.347 31.401 31.700 -1.077 0.000 0.947 311 Y N 1.520 121.351 120.300 -0.781 0.000 2.328 311 Y HA 0.386 4.935 4.550 -0.001 0.000 0.337 311 Y C 0.202 175.656 175.900 -0.744 0.000 1.008 311 Y CA -0.622 57.010 58.100 -0.780 0.000 1.129 311 Y CB 1.125 39.078 38.460 -0.845 0.000 1.185 311 Y HN 0.336 nan 8.280 nan 0.000 0.476 312 W N 4.912 125.995 121.300 -0.363 0.000 2.376 312 W HA 0.494 5.153 4.660 -0.001 0.000 0.312 312 W C -0.377 175.926 176.519 -0.360 0.000 1.060 312 W CA -0.798 56.357 57.345 -0.316 0.000 1.221 312 W CB 1.276 30.623 29.460 -0.188 0.000 1.281 312 W HN 0.489 nan 8.180 nan 0.000 0.456 313 L N 4.196 125.376 121.223 -0.072 0.000 2.851 313 L HA 0.047 4.386 4.340 -0.001 0.000 0.237 313 L C 2.104 178.887 176.870 -0.144 0.000 1.257 313 L CA -0.017 54.699 54.840 -0.207 0.000 1.061 313 L CB -0.575 41.297 42.059 -0.310 0.000 1.372 313 L HN 0.607 nan 8.230 nan 0.000 0.493 314 Q N 0.228 119.981 119.800 -0.079 0.000 2.135 314 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 314 Q C 1.091 177.056 176.000 -0.060 0.000 0.981 314 Q CA 1.127 56.889 55.803 -0.068 0.000 0.856 314 Q CB 0.050 28.751 28.738 -0.061 0.000 0.902 314 Q HN 0.471 nan 8.270 nan 0.000 0.425 315 R N -0.536 119.935 120.500 -0.048 0.000 2.960 315 R HA 0.785 5.124 4.340 -0.001 0.000 0.249 315 R C -1.738 174.552 176.300 -0.016 0.000 1.192 315 R CA -0.068 56.014 56.100 -0.031 0.000 1.035 315 R CB 2.354 32.647 30.300 -0.012 0.000 1.234 315 R HN 0.240 nan 8.270 nan 0.000 0.493 316 A N 0.850 123.676 122.820 0.011 0.000 2.562 316 A HA 0.155 4.474 4.320 -0.001 0.000 0.305 316 A C -0.804 176.823 177.584 0.073 0.000 1.059 316 A CA -0.783 51.294 52.037 0.066 0.000 0.835 316 A CB 1.298 20.345 19.000 0.079 0.000 1.299 316 A HN 0.732 nan 8.150 nan 0.000 0.392 317 Q N 1.083 120.935 119.800 0.086 0.000 2.561 317 Q HA 0.258 4.597 4.340 -0.001 0.000 0.217 317 Q C 0.764 176.788 176.000 0.039 0.000 0.980 317 Q CA 1.240 57.072 55.803 0.048 0.000 0.927 317 Q CB -0.320 28.457 28.738 0.066 0.000 0.980 317 Q HN 1.098 nan 8.270 nan 0.000 0.525 318 G N -1.207 107.656 108.800 0.106 0.000 2.434 318 G HA2 0.352 4.312 3.960 -0.001 0.000 0.330 318 G HA3 0.352 4.312 3.960 -0.001 0.000 0.330 318 G C -0.676 174.298 174.900 0.124 0.000 1.155 318 G CA -0.669 44.525 45.100 0.158 0.000 0.917 318 G HN 0.215 nan 8.290 nan 0.000 0.493 319 H N -0.079 119.120 119.070 0.215 0.000 2.293 319 H HA -0.065 4.490 4.556 -0.001 0.000 0.300 319 H C 1.671 177.168 175.328 0.282 0.000 1.082 319 H CA 1.453 57.649 56.048 0.247 0.000 1.308 319 H CB 0.153 30.087 29.762 0.285 0.000 1.375 319 H HN 0.410 nan 8.280 nan 0.000 0.495 320 N N 0.656 119.639 118.700 0.472 0.000 2.479 320 N HA -0.093 4.646 4.740 -0.001 0.000 0.257 320 N C 0.265 175.954 175.510 0.298 0.000 1.232 320 N CA 0.326 53.612 53.050 0.394 0.000 0.920 320 N CB 0.756 39.522 38.487 0.466 0.000 1.105 320 N HN 0.275 nan 8.380 nan 0.000 0.444 321 N N 0.447 119.214 118.700 0.111 0.000 2.118 321 N HA 0.218 4.957 4.740 -0.001 0.000 0.226 321 N C -0.239 175.118 175.510 -0.255 0.000 1.305 321 N CA 0.380 53.400 53.050 -0.049 0.000 0.890 321 N CB 0.577 39.032 38.487 -0.053 0.000 1.118 321 N HN 0.693 nan 8.380 nan 0.000 0.511 322 G N 0.563 109.244 108.800 -0.197 0.000 2.925 322 G HA2 0.059 4.018 3.960 -0.001 0.000 0.224 322 G HA3 0.059 4.018 3.960 -0.001 0.000 0.224 322 G C -0.966 173.862 174.900 -0.119 0.000 1.015 322 G CA -0.516 44.433 45.100 -0.252 0.000 1.026 322 G HN 0.063 nan 8.290 nan 0.000 0.608 323 I N 1.447 121.877 120.570 -0.233 0.000 2.297 323 I HA 0.268 4.438 4.170 -0.001 0.000 0.291 323 I C 0.659 176.526 176.117 -0.417 0.000 1.033 323 I CA -1.188 59.794 61.300 -0.530 0.000 1.253 323 I CB 0.383 37.655 38.000 -1.214 0.000 1.396 323 I HN 0.132 nan 8.210 nan 0.000 0.476 324 C N 5.918 125.155 119.300 -0.105 0.000 2.756 324 C HA 0.137 4.597 4.460 -0.001 0.000 0.504 324 C C 0.650 175.691 174.990 0.086 0.000 1.028 324 C CA -1.067 57.971 59.018 0.033 0.000 1.167 324 C CB -2.326 25.475 27.740 0.102 0.000 1.444 324 C HN 0.641 nan 8.230 nan 0.000 0.577 325 W N 1.103 122.430 121.300 0.046 0.000 2.443 325 W HA 0.351 5.010 4.660 -0.001 0.000 0.335 325 W C 1.310 177.759 176.519 -0.116 0.000 1.382 325 W CA 1.042 58.361 57.345 -0.044 0.000 1.305 325 W CB 0.150 29.571 29.460 -0.065 0.000 1.283 325 W HN 0.920 nan 8.180 nan 0.000 0.567 326 G N 2.528 111.394 108.800 0.111 0.000 2.179 326 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.220 326 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.220 326 G C 0.275 175.172 174.900 -0.005 0.000 0.990 326 G CA -0.189 44.904 45.100 -0.013 0.000 0.646 326 G HN 0.725 nan 8.290 nan 0.000 0.517 327 N N -0.446 118.274 118.700 0.034 0.000 2.735 327 N HA -0.166 4.573 4.740 -0.001 0.000 0.248 327 N C 0.058 175.491 175.510 -0.128 0.000 1.083 327 N CA 1.858 54.892 53.050 -0.025 0.000 0.703 327 N CB -1.121 37.350 38.487 -0.028 0.000 1.005 327 N HN 0.853 nan 8.380 nan 0.000 0.550 328 Q N 0.123 119.838 119.800 -0.143 0.000 2.309 328 Q HA 0.723 5.063 4.340 -0.001 0.000 0.264 328 Q C -0.358 175.447 176.000 -0.325 0.000 1.008 328 Q CA -0.442 55.175 55.803 -0.309 0.000 0.853 328 Q CB 2.638 31.136 28.738 -0.399 0.000 1.314 328 Q HN 0.223 nan 8.270 nan 0.000 0.448 329 L N 3.276 124.226 121.223 -0.455 0.000 2.528 329 L HA 0.480 4.819 4.340 -0.001 0.000 0.267 329 L C -1.719 174.982 176.870 -0.282 0.000 0.961 329 L CA -0.390 54.297 54.840 -0.256 0.000 0.866 329 L CB 1.312 43.299 42.059 -0.119 0.000 1.248 329 L HN 0.701 nan 8.230 nan 0.000 0.404 330 F N 4.459 124.381 119.950 -0.047 0.000 2.388 330 F HA 0.482 5.009 4.527 -0.001 0.000 0.358 330 F C 0.054 175.881 175.800 0.046 0.000 1.122 330 F CA -1.011 56.940 58.000 -0.081 0.000 1.056 330 F CB 1.884 40.752 39.000 -0.220 0.000 1.155 330 F HN 0.060 nan 8.300 nan 0.000 0.461 331 V N 2.486 122.621 119.914 0.368 0.000 2.495 331 V HA 0.484 4.603 4.120 -0.001 0.000 0.298 331 V C -0.320 175.975 176.094 0.335 0.000 1.031 331 V CA -0.689 61.815 62.300 0.339 0.000 0.871 331 V CB 1.858 33.879 31.823 0.330 0.000 0.988 331 V HN 0.736 nan 8.190 nan 0.000 0.432 332 T N 3.057 117.771 114.554 0.267 0.000 2.812 332 T HA 0.792 5.141 4.350 -0.001 0.000 0.282 332 T C -0.529 174.348 174.700 0.296 0.000 0.990 332 T CA -0.638 61.606 62.100 0.241 0.000 0.960 332 T CB 1.792 70.751 68.868 0.152 0.000 0.948 332 T HN 0.381 nan 8.240 nan 0.000 0.438 333 V N 2.336 122.425 119.914 0.292 0.000 2.962 333 V HA 0.814 4.933 4.120 -0.001 0.000 0.313 333 V C -0.792 175.404 176.094 0.170 0.000 1.099 333 V CA -0.855 61.609 62.300 0.273 0.000 0.971 333 V CB 2.414 34.404 31.823 0.279 0.000 1.028 333 V HN 0.769 nan 8.190 nan 0.000 0.430 334 V N 1.974 121.968 119.914 0.134 0.000 2.655 334 V HA 0.545 4.665 4.120 -0.001 0.000 0.301 334 V C -1.742 174.396 176.094 0.073 0.000 1.082 334 V CA -0.269 62.041 62.300 0.016 0.000 0.899 334 V CB 2.071 33.828 31.823 -0.110 0.000 1.014 334 V HN 1.030 nan 8.190 nan 0.000 0.429 335 D N 2.152 122.559 120.400 0.012 0.000 2.323 335 D HA 0.351 4.991 4.640 -0.001 0.000 0.242 335 D C 0.778 177.101 176.300 0.038 0.000 1.347 335 D CA 0.389 54.394 54.000 0.008 0.000 0.988 335 D CB 2.013 42.701 40.800 -0.188 0.000 1.314 335 D HN 0.609 nan 8.370 nan 0.000 0.564 336 T N -0.890 113.708 114.554 0.073 0.000 3.031 336 T HA -0.088 4.261 4.350 -0.001 0.000 0.254 336 T C 1.793 176.533 174.700 0.068 0.000 1.060 336 T CA 1.331 63.473 62.100 0.070 0.000 1.135 336 T CB -0.291 68.621 68.868 0.072 0.000 0.896 336 T HN 0.293 nan 8.240 nan 0.000 0.472 337 T N 1.386 115.989 114.554 0.081 0.000 2.836 337 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 337 T C 1.138 175.866 174.700 0.047 0.000 1.080 337 T CA 0.980 63.121 62.100 0.068 0.000 1.128 337 T CB -0.578 68.343 68.868 0.088 0.000 0.839 337 T HN 0.526 nan 8.240 nan 0.000 0.507 338 R N 1.159 121.685 120.500 0.043 0.000 2.748 338 R HA 0.401 4.740 4.340 -0.001 0.000 0.283 338 R C 0.931 177.302 176.300 0.120 0.000 1.507 338 R CA 0.147 56.277 56.100 0.049 0.000 1.666 338 R CB 0.785 31.091 30.300 0.009 0.000 1.237 338 R HN 0.438 nan 8.270 nan 0.000 0.633 339 S N -1.268 114.469 115.700 0.062 0.000 2.502 339 S HA -0.000 4.469 4.470 -0.001 0.000 0.215 339 S C 0.847 175.248 174.600 -0.331 0.000 1.009 339 S CA -0.197 57.980 58.200 -0.038 0.000 0.908 339 S CB 0.322 63.502 63.200 -0.032 0.000 0.801 339 S HN 0.215 nan 8.310 nan 0.000 0.505 340 T N 4.894 119.358 114.554 -0.150 0.000 2.765 340 T HA 0.067 4.416 4.350 -0.001 0.000 0.275 340 T C -0.345 174.180 174.700 -0.292 0.000 1.007 340 T CA 0.485 62.489 62.100 -0.160 0.000 1.175 340 T CB -0.568 68.273 68.868 -0.045 0.000 0.993 340 T HN 0.723 nan 8.240 nan 0.000 0.510 341 N N 3.595 122.109 118.700 -0.310 0.000 2.392 341 N HA 0.495 5.235 4.740 -0.001 0.000 0.283 341 N C 0.065 175.524 175.510 -0.086 0.000 1.003 341 N CA -1.017 51.881 53.050 -0.253 0.000 0.892 341 N CB 0.873 39.151 38.487 -0.347 0.000 1.193 341 N HN 0.610 nan 8.380 nan 0.000 0.487 342 M N -0.319 119.271 119.600 -0.017 0.000 2.267 342 M HA 0.596 5.075 4.480 -0.001 0.000 0.303 342 M C -0.692 175.620 176.300 0.019 0.000 1.164 342 M CA -0.534 54.771 55.300 0.008 0.000 1.060 342 M CB 1.074 33.691 32.600 0.029 0.000 1.455 342 M HN 0.496 nan 8.290 nan 0.000 0.483 343 S N 2.153 117.877 115.700 0.039 0.000 2.561 343 S HA 0.740 5.209 4.470 -0.001 0.000 0.303 343 S C -0.670 173.982 174.600 0.087 0.000 1.110 343 S CA -1.064 57.176 58.200 0.067 0.000 1.034 343 S CB 1.282 64.519 63.200 0.062 0.000 1.010 343 S HN 0.818 nan 8.310 nan 0.000 0.482 344 L N 0.562 121.864 121.223 0.132 0.000 2.346 344 L HA 0.998 5.337 4.340 -0.001 0.000 0.274 344 L C -0.385 176.631 176.870 0.243 0.000 1.007 344 L CA -0.908 54.022 54.840 0.150 0.000 0.818 344 L CB 1.379 43.501 42.059 0.105 0.000 1.284 344 L HN 0.938 nan 8.230 nan 0.000 0.424 345 C N 1.847 121.280 119.300 0.220 0.000 2.547 345 C HA 1.002 5.461 4.460 -0.001 0.000 0.313 345 C C -0.017 175.146 174.990 0.289 0.000 1.191 345 C CA 0.027 59.218 59.018 0.287 0.000 1.474 345 C CB 0.764 28.648 27.740 0.239 0.000 2.081 345 C HN 1.296 nan 8.230 nan 0.000 0.476 346 A N 3.129 126.132 122.820 0.305 0.000 2.393 346 A HA 0.914 5.233 4.320 -0.001 0.000 0.306 346 A C 0.102 177.755 177.584 0.115 0.000 1.050 346 A CA 0.143 52.297 52.037 0.195 0.000 0.724 346 A CB 1.117 20.209 19.000 0.154 0.000 1.248 346 A HN 2.356 nan 8.150 nan 0.000 0.424 347 A N 1.031 123.828 122.820 -0.038 0.000 2.346 347 A HA 0.515 4.834 4.320 -0.001 0.000 0.252 347 A C 0.840 178.298 177.584 -0.211 0.000 1.089 347 A CA 0.065 51.884 52.037 -0.363 0.000 0.797 347 A CB 0.051 18.720 19.000 -0.551 0.000 1.047 347 A HN 1.320 nan 8.150 nan 0.000 0.494 348 I N -0.256 120.141 120.570 -0.287 0.000 2.731 348 I HA 0.094 4.264 4.170 -0.001 0.000 0.260 348 I C 0.569 176.595 176.117 -0.151 0.000 1.138 348 I CA 1.569 62.772 61.300 -0.162 0.000 1.461 348 I CB 0.120 38.038 38.000 -0.138 0.000 1.128 348 I HN 0.686 nan 8.210 nan 0.000 0.438 349 S N -2.071 113.503 115.700 -0.211 0.000 2.537 349 S HA 0.253 4.723 4.470 -0.001 0.000 0.271 349 S C 0.362 174.869 174.600 -0.156 0.000 1.148 349 S CA -0.092 58.023 58.200 -0.142 0.000 0.868 349 S CB 0.794 63.934 63.200 -0.100 0.000 1.115 349 S HN 0.187 nan 8.310 nan 0.000 0.461 350 T N -0.853 113.643 114.554 -0.098 0.000 3.215 350 T HA 0.086 4.435 4.350 -0.001 0.000 0.254 350 T C 1.407 176.077 174.700 -0.050 0.000 1.149 350 T CA 0.722 62.779 62.100 -0.072 0.000 1.042 350 T CB -0.656 68.190 68.868 -0.037 0.000 0.966 350 T HN 0.483 nan 8.240 nan 0.000 0.534 351 S N 1.464 117.130 115.700 -0.056 0.000 2.344 351 S HA -0.041 4.428 4.470 -0.001 0.000 0.217 351 S C 0.795 175.383 174.600 -0.021 0.000 1.033 351 S CA 0.744 58.924 58.200 -0.033 0.000 1.017 351 S CB -0.412 62.767 63.200 -0.035 0.000 0.941 351 S HN 0.568 nan 8.310 nan 0.000 0.430 352 E N 1.444 121.624 120.200 -0.033 0.000 2.534 352 E HA -0.001 4.349 4.350 -0.001 0.000 0.264 352 E C 0.840 177.457 176.600 0.028 0.000 0.981 352 E CA 0.704 57.101 56.400 -0.005 0.000 0.948 352 E CB 0.310 30.002 29.700 -0.014 0.000 0.934 352 E HN 0.501 nan 8.360 nan 0.000 0.459 353 T N -1.597 112.980 114.554 0.037 0.000 3.134 353 T HA 0.182 4.532 4.350 -0.001 0.000 0.260 353 T C 0.050 174.794 174.700 0.073 0.000 1.027 353 T CA -0.270 61.861 62.100 0.052 0.000 0.913 353 T CB -0.197 68.694 68.868 0.038 0.000 1.046 353 T HN 0.392 nan 8.240 nan 0.000 0.553 354 T N -0.568 114.037 114.554 0.085 0.000 2.952 354 T HA 0.513 4.862 4.350 -0.001 0.000 0.305 354 T C -0.921 173.875 174.700 0.160 0.000 1.064 354 T CA -0.966 61.202 62.100 0.112 0.000 1.008 354 T CB 1.445 70.364 68.868 0.084 0.000 1.078 354 T HN 0.217 nan 8.240 nan 0.000 0.459 355 Y N 2.244 122.597 120.300 0.087 0.000 2.597 355 Y HA 0.364 4.913 4.550 -0.000 0.000 0.336 355 Y C 0.108 176.081 175.900 0.121 0.000 1.216 355 Y CA 0.393 58.560 58.100 0.113 0.000 1.463 355 Y CB 0.501 38.963 38.460 0.004 0.000 1.303 355 Y HN 0.638 nan 8.280 nan 0.000 0.576 356 K N 5.351 125.505 120.400 -0.410 0.000 2.578 356 K HA 0.131 4.450 4.320 -0.001 0.000 0.250 356 K C 0.205 176.602 176.600 -0.338 0.000 0.955 356 K CA -0.768 55.386 56.287 -0.222 0.000 0.825 356 K CB 1.388 33.850 32.500 -0.063 0.000 1.151 356 K HN 0.682 nan 8.250 nan 0.000 0.432 357 N N 0.558 119.201 118.700 -0.094 0.000 2.242 357 N HA -0.177 4.562 4.740 -0.001 0.000 0.193 357 N C 0.576 176.099 175.510 0.022 0.000 1.000 357 N CA 1.821 54.887 53.050 0.026 0.000 0.885 357 N CB 0.069 38.628 38.487 0.120 0.000 0.988 357 N HN 0.604 nan 8.380 nan 0.000 0.444 358 T N -3.871 110.684 114.554 0.000 0.000 3.266 358 T HA 0.244 4.594 4.350 -0.001 0.000 0.278 358 T C 0.605 175.293 174.700 -0.020 0.000 1.010 358 T CA -0.549 61.554 62.100 0.005 0.000 0.909 358 T CB -0.001 68.865 68.868 -0.003 0.000 1.122 358 T HN 0.051 nan 8.240 nan 0.000 0.536 359 N N 0.653 119.346 118.700 -0.012 0.000 2.184 359 N HA 0.255 4.994 4.740 -0.001 0.000 0.206 359 N C -1.007 174.242 175.510 -0.435 0.000 1.151 359 N CA -0.518 52.429 53.050 -0.172 0.000 0.878 359 N CB 0.313 38.672 38.487 -0.214 0.000 1.014 359 N HN 0.322 nan 8.380 nan 0.000 0.512 360 F N 0.676 120.567 119.950 -0.099 0.000 2.518 360 F HA 0.472 4.999 4.527 -0.000 0.000 0.323 360 F C 0.145 175.933 175.800 -0.020 0.000 1.129 360 F CA -0.940 57.039 58.000 -0.034 0.000 0.920 360 F CB 1.755 40.739 39.000 -0.027 0.000 1.160 360 F HN -0.365 nan 8.300 nan 0.000 0.440 361 K N 2.524 123.019 120.400 0.157 0.000 2.201 361 K HA 0.329 4.649 4.320 -0.001 0.000 0.278 361 K C -0.444 176.135 176.600 -0.036 0.000 1.027 361 K CA -0.666 55.628 56.287 0.013 0.000 0.909 361 K CB 1.019 33.531 32.500 0.020 0.000 1.062 361 K HN 0.498 nan 8.250 nan 0.000 0.465 362 E N 2.589 122.679 120.200 -0.183 0.000 2.179 362 E HA 0.260 4.610 4.350 -0.001 0.000 0.275 362 E C -1.101 175.326 176.600 -0.287 0.000 0.945 362 E CA -0.462 55.885 56.400 -0.087 0.000 0.792 362 E CB 1.250 30.939 29.700 -0.019 0.000 1.125 362 E HN 0.363 nan 8.360 nan 0.000 0.397 363 Y N 0.657 121.015 120.300 0.098 0.000 2.545 363 Y HA 0.446 4.996 4.550 -0.001 0.000 0.348 363 Y C -0.000 175.946 175.900 0.077 0.000 1.002 363 Y CA -0.853 57.315 58.100 0.112 0.000 1.039 363 Y CB 1.552 40.077 38.460 0.109 0.000 1.271 363 Y HN 0.248 nan 8.280 nan 0.000 0.467 364 L N 3.937 125.290 121.223 0.216 0.000 2.296 364 L HA 0.629 4.969 4.340 -0.001 0.000 0.286 364 L C -0.438 176.373 176.870 -0.098 0.000 1.023 364 L CA -0.763 54.084 54.840 0.010 0.000 0.812 364 L CB 0.995 43.002 42.059 -0.086 0.000 1.223 364 L HN 0.540 nan 8.230 nan 0.000 0.421 365 R N 1.746 122.227 120.500 -0.031 0.000 2.807 365 R HA 0.511 4.851 4.340 -0.001 0.000 0.276 365 R C -1.251 175.074 176.300 0.042 0.000 0.979 365 R CA -0.791 55.298 56.100 -0.019 0.000 0.928 365 R CB 2.271 32.587 30.300 0.027 0.000 1.191 365 R HN 0.646 nan 8.270 nan 0.000 0.471 366 H N -0.336 118.685 119.070 -0.082 0.000 2.782 366 H HA 0.475 5.030 4.556 -0.001 0.000 0.347 366 H C -0.827 174.489 175.328 -0.021 0.000 1.038 366 H CA -0.632 55.380 56.048 -0.061 0.000 1.255 366 H CB 1.943 31.648 29.762 -0.095 0.000 1.623 366 H HN 0.779 nan 8.280 nan 0.000 0.525 367 G N 3.016 111.741 108.800 -0.125 0.000 2.410 367 G HA2 0.370 4.329 3.960 -0.001 0.000 0.330 367 G HA3 0.370 4.329 3.960 -0.001 0.000 0.330 367 G C -0.945 173.784 174.900 -0.285 0.000 1.142 367 G CA -0.540 44.474 45.100 -0.143 0.000 0.902 367 G HN 0.636 nan 8.290 nan 0.000 0.491 368 E N 0.267 120.388 120.200 -0.132 0.000 2.246 368 E HA 0.172 4.521 4.350 -0.001 0.000 0.266 368 E C -1.209 175.388 176.600 -0.004 0.000 0.880 368 E CA -0.464 55.882 56.400 -0.090 0.000 0.762 368 E CB 2.915 32.628 29.700 0.021 0.000 1.180 368 E HN 0.666 nan 8.360 nan 0.000 0.416 369 E N 3.882 124.010 120.200 -0.120 0.000 2.114 369 E HA 0.267 4.617 4.350 -0.001 0.000 0.266 369 E C -1.416 175.059 176.600 -0.208 0.000 0.896 369 E CA -0.343 56.023 56.400 -0.057 0.000 0.750 369 E CB 0.757 30.429 29.700 -0.046 0.000 1.121 369 E HN 0.408 nan 8.360 nan 0.000 0.413 370 Y N 2.459 122.764 120.300 0.010 0.000 2.496 370 Y HA 0.390 4.939 4.550 -0.001 0.000 0.331 370 Y C -0.345 175.483 175.900 -0.119 0.000 1.140 370 Y CA -0.594 57.459 58.100 -0.079 0.000 1.166 370 Y CB 1.970 40.369 38.460 -0.101 0.000 1.249 370 Y HN 0.578 nan 8.280 nan 0.000 0.479 371 D N 1.740 122.158 120.400 0.031 0.000 2.591 371 D HA 0.318 4.957 4.640 -0.001 0.000 0.222 371 D C -1.797 174.402 176.300 -0.169 0.000 1.360 371 D CA -0.239 53.721 54.000 -0.067 0.000 0.967 371 D CB 0.832 41.605 40.800 -0.045 0.000 1.456 371 D HN 0.368 nan 8.370 nan 0.000 0.588 372 L N 2.623 123.704 121.223 -0.237 0.000 2.360 372 L HA 0.595 4.935 4.340 -0.001 0.000 0.271 372 L C -0.041 176.610 176.870 -0.365 0.000 1.057 372 L CA -0.808 53.828 54.840 -0.341 0.000 0.803 372 L CB 1.578 43.457 42.059 -0.300 0.000 1.207 372 L HN 0.411 nan 8.230 nan 0.000 0.445 373 Q N 2.226 121.587 119.800 -0.731 0.000 2.359 373 Q HA 0.594 4.934 4.340 -0.001 0.000 0.274 373 Q C -1.547 173.741 176.000 -1.187 0.000 1.074 373 Q CA -0.447 54.940 55.803 -0.693 0.000 0.810 373 Q CB 3.077 31.518 28.738 -0.495 0.000 1.342 373 Q HN 0.329 nan 8.270 nan 0.000 0.427 374 F N 1.110 120.668 119.950 -0.653 0.000 2.613 374 F HA 0.568 5.095 4.527 -0.001 0.000 0.310 374 F C -0.377 174.930 175.800 -0.821 0.000 1.085 374 F CA -0.908 56.643 58.000 -0.748 0.000 0.945 374 F CB 1.661 40.221 39.000 -0.732 0.000 1.298 374 F HN 0.251 nan 8.300 nan 0.000 0.455 375 I N 2.898 123.063 120.570 -0.674 0.000 2.478 375 I HA 0.375 4.544 4.170 -0.001 0.000 0.287 375 I C -1.203 174.578 176.117 -0.559 0.000 1.042 375 I CA -0.810 60.191 61.300 -0.498 0.000 1.067 375 I CB 1.492 39.190 38.000 -0.502 0.000 1.233 375 I HN 0.425 nan 8.210 nan 0.000 0.431 376 F N 3.776 123.748 119.950 0.037 0.000 2.522 376 F HA 0.502 5.028 4.527 -0.001 0.000 0.324 376 F C 0.462 176.581 175.800 0.531 0.000 1.077 376 F CA -0.735 57.407 58.000 0.237 0.000 0.944 376 F CB 1.816 40.909 39.000 0.156 0.000 1.175 376 F HN 0.361 nan 8.300 nan 0.000 0.468 377 Q N 3.114 123.289 119.800 0.625 0.000 2.333 377 Q HA 0.468 4.807 4.340 -0.001 0.000 0.265 377 Q C -1.315 174.718 176.000 0.056 0.000 0.989 377 Q CA -1.083 54.865 55.803 0.243 0.000 0.842 377 Q CB 1.636 30.481 28.738 0.179 0.000 1.262 377 Q HN 0.693 nan 8.270 nan 0.000 0.451 378 L N 3.472 124.558 121.223 -0.227 0.000 2.452 378 L HA 0.398 4.738 4.340 -0.001 0.000 0.267 378 L C -1.230 175.356 176.870 -0.473 0.000 1.188 378 L CA 0.393 54.862 54.840 -0.618 0.000 0.821 378 L CB 1.104 42.662 42.059 -0.835 0.000 1.102 378 L HN 0.890 nan 8.230 nan 0.000 0.470 379 C N 2.937 121.938 119.300 -0.498 0.000 3.171 379 C HA 0.736 5.195 4.460 -0.001 0.000 0.308 379 C C -0.820 174.021 174.990 -0.248 0.000 1.334 379 C CA -1.018 57.822 59.018 -0.296 0.000 1.473 379 C CB 2.357 29.988 27.740 -0.181 0.000 1.866 379 C HN 0.925 nan 8.230 nan 0.000 0.465 380 K N 1.084 121.412 120.400 -0.119 0.000 2.477 380 K HA 0.908 5.228 4.320 -0.001 0.000 0.255 380 K C -1.764 174.854 176.600 0.030 0.000 0.952 380 K CA -0.559 55.703 56.287 -0.043 0.000 0.826 380 K CB 1.692 34.211 32.500 0.030 0.000 1.331 380 K HN 0.628 nan 8.250 nan 0.000 0.437 381 I N 1.743 122.335 120.570 0.036 0.000 2.529 381 I HA 0.132 4.301 4.170 -0.001 0.000 0.284 381 I C -0.345 175.778 176.117 0.009 0.000 1.088 381 I CA -0.856 60.495 61.300 0.085 0.000 1.062 381 I CB 2.285 40.403 38.000 0.195 0.000 1.218 381 I HN 0.817 nan 8.210 nan 0.000 0.442 382 T N 3.915 118.492 114.554 0.038 0.000 2.884 382 T HA 0.507 4.856 4.350 -0.001 0.000 0.298 382 T C -0.349 174.362 174.700 0.019 0.000 0.998 382 T CA -0.464 61.641 62.100 0.009 0.000 1.124 382 T CB 0.930 69.809 68.868 0.018 0.000 0.931 382 T HN 0.261 nan 8.240 nan 0.000 0.531 383 L N 4.714 125.925 121.223 -0.019 0.000 2.314 383 L HA 0.338 4.677 4.340 -0.001 0.000 0.275 383 L C 1.372 178.249 176.870 0.011 0.000 1.068 383 L CA -0.247 54.590 54.840 -0.004 0.000 0.894 383 L CB 0.334 42.368 42.059 -0.042 0.000 1.275 383 L HN 1.101 nan 8.230 nan 0.000 0.432 384 T N -0.677 113.895 114.554 0.029 0.000 3.133 384 T HA 0.585 4.934 4.350 -0.001 0.000 0.329 384 T C 1.367 176.080 174.700 0.022 0.000 1.248 384 T CA 0.178 62.290 62.100 0.021 0.000 0.933 384 T CB 0.566 69.449 68.868 0.025 0.000 1.943 384 T HN 0.343 nan 8.240 nan 0.000 0.572 385 A N 1.088 123.917 122.820 0.016 0.000 1.823 385 A HA 0.061 4.380 4.320 -0.001 0.000 0.214 385 A C 1.976 179.571 177.584 0.019 0.000 1.225 385 A CA 1.448 53.493 52.037 0.012 0.000 0.604 385 A CB -1.377 17.627 19.000 0.007 0.000 0.878 385 A HN 0.830 nan 8.150 nan 0.000 0.450 386 D N -0.310 120.099 120.400 0.016 0.000 2.351 386 D HA -0.034 4.605 4.640 -0.001 0.000 0.216 386 D C 1.768 178.073 176.300 0.008 0.000 0.968 386 D CA 0.819 54.827 54.000 0.013 0.000 0.899 386 D CB -0.292 40.505 40.800 -0.004 0.000 0.907 386 D HN 0.191 nan 8.370 nan 0.000 0.514 387 V N 0.610 120.537 119.914 0.022 0.000 2.251 387 V HA -0.189 3.931 4.120 -0.001 0.000 0.237 387 V C 2.430 178.573 176.094 0.083 0.000 1.040 387 V CA 1.341 63.663 62.300 0.036 0.000 1.005 387 V CB -0.563 31.308 31.823 0.081 0.000 0.645 387 V HN 0.121 nan 8.190 nan 0.000 0.458 388 M N 0.783 120.434 119.600 0.084 0.000 2.128 388 M HA -0.298 4.181 4.480 -0.001 0.000 0.253 388 M C 2.243 178.604 176.300 0.103 0.000 1.079 388 M CA 2.965 58.325 55.300 0.101 0.000 1.082 388 M CB -0.509 32.129 32.600 0.064 0.000 1.335 388 M HN 0.713 nan 8.290 nan 0.000 0.401 389 T N -2.134 112.466 114.554 0.077 0.000 2.737 389 T HA -0.231 4.118 4.350 -0.001 0.000 0.265 389 T C 1.642 176.429 174.700 0.145 0.000 1.038 389 T CA 1.522 63.669 62.100 0.078 0.000 1.144 389 T CB -1.144 67.757 68.868 0.056 0.000 0.866 389 T HN 0.576 nan 8.240 nan 0.000 0.434 390 Y N 2.438 122.717 120.300 -0.035 0.000 2.128 390 Y HA 0.013 4.562 4.550 -0.001 0.000 0.284 390 Y C 2.181 178.011 175.900 -0.118 0.000 1.154 390 Y CA 0.853 58.909 58.100 -0.073 0.000 1.149 390 Y CB -0.575 37.760 38.460 -0.210 0.000 0.976 390 Y HN 0.214 nan 8.280 nan 0.000 0.505 391 I N -0.357 120.216 120.570 0.006 0.000 2.657 391 I HA -0.317 3.853 4.170 -0.001 0.000 0.261 391 I C 2.299 178.307 176.117 -0.181 0.000 1.212 391 I CA 1.710 62.922 61.300 -0.147 0.000 1.453 391 I CB -0.590 37.462 38.000 0.087 0.000 1.092 391 I HN 0.439 nan 8.210 nan 0.000 0.452 392 H N 0.237 119.215 119.070 -0.154 0.000 2.506 392 H HA 0.124 4.679 4.556 -0.001 0.000 0.289 392 H C 1.977 177.198 175.328 -0.178 0.000 1.009 392 H CA 0.727 56.689 56.048 -0.144 0.000 1.303 392 H CB 0.546 30.273 29.762 -0.058 0.000 1.453 392 H HN 0.090 nan 8.280 nan 0.000 0.526 393 S N 0.526 116.224 115.700 -0.004 0.000 2.603 393 S HA 0.042 4.512 4.470 -0.001 0.000 0.220 393 S C 1.804 176.252 174.600 -0.252 0.000 0.967 393 S CA 0.254 58.432 58.200 -0.037 0.000 0.920 393 S CB 0.188 63.421 63.200 0.055 0.000 0.773 393 S HN 0.430 nan 8.310 nan 0.000 0.529 394 M N 1.075 120.352 119.600 -0.538 0.000 2.473 394 M HA 0.220 4.700 4.480 -0.001 0.000 0.230 394 M C 0.039 175.887 176.300 -0.752 0.000 1.226 394 M CA 0.944 55.642 55.300 -1.005 0.000 1.235 394 M CB 0.385 32.258 32.600 -1.212 0.000 1.162 394 M HN 0.084 nan 8.290 nan 0.000 0.486 395 N N 0.085 118.362 118.700 -0.705 0.000 2.609 395 N HA 0.150 4.890 4.740 -0.001 0.000 0.268 395 N C 0.534 175.738 175.510 -0.509 0.000 1.106 395 N CA -0.013 52.697 53.050 -0.567 0.000 0.823 395 N CB 1.020 39.141 38.487 -0.609 0.000 1.263 395 N HN 0.399 nan 8.380 nan 0.000 0.533 396 S N 1.456 116.870 115.700 -0.476 0.000 2.401 396 S HA -0.354 4.116 4.470 -0.001 0.000 0.236 396 S C 2.092 176.513 174.600 -0.299 0.000 1.058 396 S CA 2.441 60.359 58.200 -0.469 0.000 1.151 396 S CB -1.384 61.532 63.200 -0.475 0.000 1.049 396 S HN 0.733 nan 8.310 nan 0.000 0.432 397 T N 1.842 116.234 114.554 -0.270 0.000 2.701 397 T HA -0.231 4.118 4.350 -0.001 0.000 0.265 397 T C 1.738 176.263 174.700 -0.291 0.000 1.032 397 T CA 1.708 63.673 62.100 -0.225 0.000 1.158 397 T CB -1.063 67.683 68.868 -0.204 0.000 0.854 397 T HN 0.344 nan 8.240 nan 0.000 0.463 398 I N 2.061 122.364 120.570 -0.445 0.000 2.087 398 I HA -0.137 4.033 4.170 -0.001 0.000 0.240 398 I C 2.691 178.411 176.117 -0.662 0.000 1.054 398 I CA 1.071 61.922 61.300 -0.749 0.000 1.311 398 I CB -1.598 35.806 38.000 -0.994 0.000 1.024 398 I HN 0.334 nan 8.210 nan 0.000 0.402 399 L N 0.142 121.221 121.223 -0.241 0.000 1.970 399 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 399 L C 2.569 179.546 176.870 0.177 0.000 1.071 399 L CA 1.550 56.517 54.840 0.212 0.000 0.751 399 L CB -0.779 41.401 42.059 0.202 0.000 0.889 399 L HN 0.291 nan 8.230 nan 0.000 0.432 400 E N 0.292 120.519 120.200 0.045 0.000 2.013 400 E HA -0.264 4.085 4.350 -0.001 0.000 0.202 400 E C 1.834 178.463 176.600 0.048 0.000 1.018 400 E CA 1.676 58.102 56.400 0.043 0.000 0.834 400 E CB -0.403 29.292 29.700 -0.008 0.000 0.770 400 E HN 0.494 nan 8.360 nan 0.000 0.459 401 D N 0.172 120.553 120.400 -0.030 0.000 2.172 401 D HA -0.182 4.457 4.640 -0.001 0.000 0.196 401 D C 0.320 176.672 176.300 0.086 0.000 0.999 401 D CA 0.700 54.687 54.000 -0.023 0.000 0.856 401 D CB -0.286 40.449 40.800 -0.108 0.000 0.934 401 D HN 0.190 nan 8.370 nan 0.000 0.453 402 W N 2.405 123.731 121.300 0.043 0.000 2.505 402 W HA 0.086 4.746 4.660 -0.001 0.000 0.332 402 W C 1.028 177.581 176.519 0.058 0.000 1.434 402 W CA 0.036 57.419 57.345 0.063 0.000 1.320 402 W CB -0.853 28.651 29.460 0.074 0.000 1.363 402 W HN -0.027 nan 8.180 nan 0.000 0.565 439 D N 3.313 123.732 120.400 0.033 0.000 2.339 439 D HA 0.180 4.819 4.640 -0.001 0.000 0.256 439 D C -1.383 174.972 176.300 0.092 0.000 1.214 439 D CA -1.901 52.135 54.000 0.060 0.000 0.877 439 D CB 1.386 42.230 40.800 0.073 0.000 1.111 439 D HN 0.119 nan 8.370 nan 0.000 0.478 440 P HA -0.049 nan 4.420 nan 0.000 0.229 440 P C 0.483 177.950 177.300 0.278 0.000 1.160 440 P CA 0.625 63.810 63.100 0.143 0.000 0.777 440 P CB 0.189 31.946 31.700 0.095 0.000 0.814 441 L N -0.685 120.723 121.223 0.308 0.000 3.036 441 L HA 0.351 4.690 4.340 -0.001 0.000 0.237 441 L C 1.844 178.941 176.870 0.379 0.000 1.319 441 L CA -0.180 54.972 54.840 0.520 0.000 1.112 441 L CB -0.066 42.295 42.059 0.503 0.000 1.480 441 L HN -0.210 nan 8.230 nan 0.000 0.506 442 K N 1.210 121.738 120.400 0.212 0.000 2.284 442 K HA 0.049 4.368 4.320 -0.001 0.000 0.198 442 K C 1.625 178.209 176.600 -0.026 0.000 1.048 442 K CA 0.723 57.062 56.287 0.087 0.000 0.987 442 K CB 0.444 32.967 32.500 0.037 0.000 0.800 442 K HN 0.089 nan 8.250 nan 0.000 0.486 443 K N 0.076 120.388 120.400 -0.147 0.000 2.387 443 K HA 0.098 4.417 4.320 -0.001 0.000 0.198 443 K C -0.613 175.483 176.600 -0.840 0.000 1.022 443 K CA -0.016 55.992 56.287 -0.465 0.000 1.128 443 K CB 0.104 32.288 32.500 -0.527 0.000 0.853 443 K HN 0.060 nan 8.250 nan 0.000 0.523 444 Y N 0.667 120.880 120.300 -0.144 0.000 2.485 444 Y HA 0.313 4.862 4.550 -0.001 0.000 0.345 444 Y C 0.166 175.708 175.900 -0.597 0.000 0.998 444 Y CA -1.035 56.822 58.100 -0.405 0.000 1.059 444 Y CB 1.942 40.137 38.460 -0.441 0.000 1.234 444 Y HN -0.199 nan 8.280 nan 0.000 0.461 445 T N 3.259 117.429 114.554 -0.639 0.000 2.770 445 T HA 0.673 5.022 4.350 -0.001 0.000 0.283 445 T C -0.976 173.253 174.700 -0.785 0.000 0.988 445 T CA -0.652 61.115 62.100 -0.555 0.000 0.957 445 T CB 0.102 68.788 68.868 -0.303 0.000 0.930 445 T HN 0.368 nan 8.240 nan 0.000 0.443 446 F N 0.332 120.292 119.950 0.016 0.000 2.613 446 F HA 0.489 5.015 4.527 -0.001 0.000 0.314 446 F C -0.507 175.357 175.800 0.105 0.000 1.075 446 F CA -1.588 56.414 58.000 0.003 0.000 0.945 446 F CB 1.366 40.361 39.000 -0.010 0.000 1.310 446 F HN 0.477 nan 8.300 nan 0.000 0.467 447 W N 3.569 124.917 121.300 0.080 0.000 2.368 447 W HA 0.217 4.877 4.660 -0.001 0.000 0.316 447 W C -0.620 175.991 176.519 0.154 0.000 1.375 447 W CA -0.341 57.012 57.345 0.013 0.000 1.261 447 W CB 0.407 29.720 29.460 -0.245 0.000 1.298 447 W HN 0.430 nan 8.180 nan 0.000 0.539 448 E N 4.826 125.439 120.200 0.688 0.000 2.146 448 E HA 0.289 4.639 4.350 -0.001 0.000 0.282 448 E C -0.861 176.032 176.600 0.488 0.000 0.989 448 E CA -0.554 56.140 56.400 0.491 0.000 0.799 448 E CB 1.993 31.928 29.700 0.392 0.000 1.088 448 E HN 0.166 nan 8.360 nan 0.000 0.397 449 V N 3.685 123.795 119.914 0.327 0.000 2.409 449 V HA 0.286 4.406 4.120 -0.001 0.000 0.291 449 V C 0.237 176.453 176.094 0.204 0.000 1.020 449 V CA -1.069 61.359 62.300 0.214 0.000 0.848 449 V CB 1.639 33.491 31.823 0.048 0.000 0.990 449 V HN 0.489 nan 8.190 nan 0.000 0.430 450 N N 4.430 123.250 118.700 0.200 0.000 2.457 450 N HA 0.402 5.141 4.740 -0.001 0.000 0.250 450 N C 0.074 175.625 175.510 0.069 0.000 0.982 450 N CA -0.347 52.797 53.050 0.157 0.000 0.941 450 N CB 1.820 40.382 38.487 0.125 0.000 1.120 450 N HN 0.725 nan 8.380 nan 0.000 0.505 451 L N 3.412 124.648 121.223 0.022 0.000 2.616 451 L HA 0.150 4.489 4.340 -0.001 0.000 0.229 451 L C 2.021 178.925 176.870 0.057 0.000 1.110 451 L CA 0.036 54.888 54.840 0.020 0.000 0.884 451 L CB 0.185 42.214 42.059 -0.050 0.000 1.115 451 L HN 0.474 nan 8.230 nan 0.000 0.481 452 K N 0.737 121.107 120.400 -0.050 0.000 2.059 452 K HA -0.218 4.101 4.320 -0.001 0.000 0.212 452 K C 0.773 177.340 176.600 -0.054 0.000 1.050 452 K CA 1.540 57.732 56.287 -0.159 0.000 0.927 452 K CB 0.033 32.461 32.500 -0.119 0.000 0.714 452 K HN 0.080 nan 8.250 nan 0.000 0.447 453 E N 0.116 120.336 120.200 0.033 0.000 2.304 453 E HA 0.031 4.380 4.350 -0.001 0.000 0.212 453 E C 0.286 176.968 176.600 0.136 0.000 1.185 453 E CA 0.206 56.659 56.400 0.087 0.000 1.326 453 E CB 0.520 30.269 29.700 0.081 0.000 1.283 453 E HN 0.087 nan 8.360 nan 0.000 0.440 454 K N -0.767 119.735 120.400 0.171 0.000 2.511 454 K HA 0.169 4.488 4.320 -0.001 0.000 0.206 454 K C 0.033 176.764 176.600 0.219 0.000 1.333 454 K CA -0.136 56.254 56.287 0.172 0.000 0.957 454 K CB 0.184 32.737 32.500 0.090 0.000 1.172 454 K HN 0.076 nan 8.250 nan 0.000 0.547 455 F N 2.356 122.267 119.950 -0.065 0.000 2.623 455 F HA -0.039 4.488 4.527 -0.001 0.000 0.386 455 F C 1.047 177.031 175.800 0.306 0.000 1.068 455 F CA 0.594 58.604 58.000 0.015 0.000 1.265 455 F CB 0.187 38.988 39.000 -0.331 0.000 1.026 455 F HN -0.223 nan 8.300 nan 0.000 0.568 456 S N 1.691 117.694 115.700 0.504 0.000 2.541 456 S HA 0.739 5.209 4.470 -0.001 0.000 0.280 456 S C 0.397 175.137 174.600 0.233 0.000 1.112 456 S CA -0.143 58.346 58.200 0.483 0.000 0.925 456 S CB 1.563 65.070 63.200 0.512 0.000 1.067 456 S HN 0.724 nan 8.310 nan 0.000 0.479 457 A N 2.443 125.251 122.820 -0.021 0.000 1.850 457 A HA 0.136 4.456 4.320 -0.001 0.000 0.212 457 A C 0.475 178.002 177.584 -0.096 0.000 1.208 457 A CA 0.983 52.703 52.037 -0.529 0.000 0.609 457 A CB -0.886 17.915 19.000 -0.331 0.000 0.860 457 A HN 0.905 nan 8.150 nan 0.000 0.448 458 D N 1.299 121.709 120.400 0.015 0.000 2.433 458 D HA 0.085 4.725 4.640 -0.001 0.000 0.274 458 D C 0.532 176.897 176.300 0.109 0.000 1.344 458 D CA 0.127 54.151 54.000 0.041 0.000 0.989 458 D CB -0.049 40.755 40.800 0.006 0.000 1.116 458 D HN 0.423 nan 8.370 nan 0.000 0.533 459 L N 0.982 122.287 121.223 0.136 0.000 2.492 459 L HA -0.033 4.306 4.340 -0.001 0.000 0.223 459 L C 1.002 177.923 176.870 0.085 0.000 1.132 459 L CA 0.280 55.244 54.840 0.207 0.000 0.850 459 L CB -0.338 41.855 42.059 0.225 0.000 0.966 459 L HN 0.146 nan 8.230 nan 0.000 0.454 460 D N 0.061 120.468 120.400 0.011 0.000 2.389 460 D HA -0.162 4.478 4.640 -0.001 0.000 0.221 460 D C 1.557 177.794 176.300 -0.105 0.000 0.974 460 D CA 0.792 54.770 54.000 -0.037 0.000 0.923 460 D CB -0.083 40.692 40.800 -0.042 0.000 0.892 460 D HN 0.359 nan 8.370 nan 0.000 0.518 461 Q N -0.568 119.098 119.800 -0.223 0.000 2.188 461 Q HA 0.232 4.572 4.340 -0.001 0.000 0.212 461 Q C -0.518 175.086 176.000 -0.660 0.000 0.846 461 Q CA -0.020 55.507 55.803 -0.459 0.000 0.989 461 Q CB 0.528 28.899 28.738 -0.610 0.000 1.114 461 Q HN 0.305 nan 8.270 nan 0.000 0.488 462 F N 0.584 120.445 119.950 -0.150 0.000 2.578 462 F HA 0.311 4.838 4.527 -0.001 0.000 0.311 462 F C -1.624 174.144 175.800 -0.053 0.000 1.094 462 F CA -2.126 55.763 58.000 -0.186 0.000 0.923 462 F CB 1.929 40.578 39.000 -0.585 0.000 1.230 462 F HN -0.238 nan 8.300 nan 0.000 0.450 463 P HA -0.195 nan 4.420 nan 0.000 0.211 463 P C 1.980 179.351 177.300 0.119 0.000 1.179 463 P CA 1.458 64.624 63.100 0.109 0.000 0.910 463 P CB 0.647 32.392 31.700 0.075 0.000 0.785 464 L N -0.476 120.821 121.223 0.123 0.000 1.976 464 L HA -0.245 4.095 4.340 -0.001 0.000 0.223 464 L C 2.724 179.760 176.870 0.278 0.000 1.081 464 L CA 2.554 57.467 54.840 0.122 0.000 0.784 464 L CB -1.564 40.527 42.059 0.053 0.000 0.896 464 L HN 0.092 nan 8.230 nan 0.000 0.438 465 G N -0.958 108.056 108.800 0.357 0.000 2.587 465 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.217 465 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.217 465 G C 1.437 176.468 174.900 0.218 0.000 1.240 465 G CA 1.143 46.438 45.100 0.325 0.000 0.794 465 G HN 0.380 nan 8.290 nan 0.000 0.580 466 R N 0.283 120.865 120.500 0.137 0.000 2.227 466 R HA -0.244 4.096 4.340 -0.001 0.000 0.259 466 R C 2.638 178.986 176.300 0.080 0.000 1.139 466 R CA 2.157 58.298 56.100 0.068 0.000 0.969 466 R CB -0.340 29.988 30.300 0.046 0.000 0.903 466 R HN 0.374 nan 8.270 nan 0.000 0.452 467 K N -0.565 119.931 120.400 0.161 0.000 1.991 467 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 467 K C 1.929 178.697 176.600 0.279 0.000 1.045 467 K CA 1.218 57.633 56.287 0.213 0.000 0.937 467 K CB -0.345 32.305 32.500 0.251 0.000 0.720 467 K HN 0.044 nan 8.250 nan 0.000 0.438 468 F N 2.018 122.119 119.950 0.252 0.000 2.147 468 F HA -0.260 4.266 4.527 -0.001 0.000 0.301 468 F C 1.812 177.441 175.800 -0.284 0.000 1.084 468 F CA 1.271 59.200 58.000 -0.119 0.000 1.268 468 F CB -0.270 38.697 39.000 -0.054 0.000 1.009 468 F HN -0.059 nan 8.300 nan 0.000 0.486 469 L N -0.292 120.669 121.223 -0.436 0.000 2.095 469 L HA 0.012 4.351 4.340 -0.001 0.000 0.204 469 L C 2.089 178.719 176.870 -0.399 0.000 1.080 469 L CA 1.181 55.700 54.840 -0.535 0.000 0.759 469 L CB -0.629 41.286 42.059 -0.240 0.000 0.914 469 L HN 0.210 nan 8.230 nan 0.000 0.439 470 L N -0.757 120.333 121.223 -0.221 0.000 2.700 470 L HA -0.098 4.241 4.340 -0.001 0.000 0.240 470 L C 1.832 178.584 176.870 -0.197 0.000 1.162 470 L CA 0.309 55.044 54.840 -0.174 0.000 0.874 470 L CB -0.167 41.846 42.059 -0.078 0.000 1.001 470 L HN 0.474 nan 8.230 nan 0.000 0.447 471 Q N -0.406 119.193 119.800 -0.334 0.000 2.451 471 Q HA 0.184 4.523 4.340 -0.001 0.000 0.189 471 Q C 0.758 176.465 176.000 -0.488 0.000 0.862 471 Q CA -0.195 55.369 55.803 -0.399 0.000 0.786 471 Q CB 0.115 28.540 28.738 -0.521 0.000 1.295 471 Q HN 0.195 nan 8.270 nan 0.000 0.580 472 L N 0.000 120.816 121.223 -0.678 0.000 2.949 472 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 472 L CA 0.000 54.558 54.840 -0.470 0.000 0.813 472 L CB 0.000 41.758 42.059 -0.502 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502