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 3cog_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFLPHFQHFA TQAIHVGQDP EQWTSRAVVP PISLSTTFKQ XXXXXXXXXX DATA SEQUENCE XXXXGNPTRN CLEKAVAALD GAKYCLAFAS GLAATVTITH LLKAGDQIIC DATA SEQUENCE MDDVYGGTNR YFRQVASEFG LKISFVDCSK IKLLEAAITP ETKLVWIETP DATA SEQUENCE TNPTQKVIDI EGCAHIVHKH GDIILVVDNT FMSPYFQRPL ALGADISMYS DATA SEQUENCE ATKYMNGHSD VVMGLVSVNC ESLHNRLRFL QNSLGAVPSP IDCYLCNRGL DATA SEQUENCE KTLHVRMEKH FKNGMAVAQF LESNPWVEKV IYPGLPSHPQ HELVKRQCTG DATA SEQUENCE CTGMVTFYIK GTLQHAEIFL KNLKLFTLAE SLGGFESLAE LPAIMTHASV DATA SEQUENCE LKNDRDVLGI SDTLIRLSVG LEDEEDLLED LDQALKAAHP 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 10 G C 0.000 174.815 174.900 -0.142 0.000 0.946 10 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 11 F N 0.633 120.528 119.950 -0.092 0.000 2.399 11 F HA 0.610 5.137 4.527 -0.001 0.000 0.313 11 F C 0.930 176.628 175.800 -0.171 0.000 1.202 11 F CA -0.973 56.937 58.000 -0.151 0.000 1.192 11 F CB 0.533 39.425 39.000 -0.180 0.000 1.256 11 F HN -0.097 nan 8.300 nan 0.000 0.558 12 L N 3.819 125.043 121.223 0.002 0.000 2.578 12 L HA 0.073 4.413 4.340 -0.001 0.000 0.279 12 L C -2.122 174.631 176.870 -0.195 0.000 1.227 12 L CA -1.370 53.418 54.840 -0.087 0.000 0.900 12 L CB -0.655 41.350 42.059 -0.090 0.000 1.144 12 L HN 0.281 nan 8.230 nan 0.000 0.496 13 P HA -0.007 nan 4.420 nan 0.000 0.267 13 P C -0.637 176.444 177.300 -0.366 0.000 1.200 13 P CA 0.057 63.046 63.100 -0.184 0.000 0.772 13 P CB 0.215 31.872 31.700 -0.072 0.000 0.855 14 H N 1.832 120.721 119.070 -0.300 0.000 2.972 14 H HA 0.031 4.587 4.556 -0.001 0.000 0.343 14 H C 0.371 175.476 175.328 -0.372 0.000 1.054 14 H CA 0.607 56.355 56.048 -0.500 0.000 1.412 14 H CB -0.078 29.479 29.762 -0.342 0.000 1.385 14 H HN 0.358 nan 8.280 nan 0.000 0.600 15 F N 1.946 121.901 119.950 0.009 0.000 2.543 15 F HA -0.014 4.513 4.527 -0.000 0.000 0.375 15 F C 1.575 177.420 175.800 0.075 0.000 1.075 15 F CA -0.133 57.900 58.000 0.056 0.000 1.225 15 F CB 0.328 39.407 39.000 0.130 0.000 1.099 15 F HN 0.276 nan 8.300 nan 0.000 0.561 16 Q N 3.550 123.456 119.800 0.176 0.000 2.361 16 Q HA -0.059 4.281 4.340 -0.001 0.000 0.276 16 Q C 0.411 176.408 176.000 -0.005 0.000 1.022 16 Q CA 0.367 56.124 55.803 -0.078 0.000 0.898 16 Q CB 0.350 28.919 28.738 -0.282 0.000 1.246 16 Q HN 0.754 nan 8.270 nan 0.000 0.410 17 H N 0.356 119.518 119.070 0.154 0.000 3.395 17 H HA -0.244 4.311 4.556 -0.001 0.000 0.222 17 H C 0.807 176.210 175.328 0.125 0.000 1.099 17 H CA 1.073 57.187 56.048 0.109 0.000 1.182 17 H CB -1.927 27.870 29.762 0.058 0.000 1.188 17 H HN 0.744 nan 8.280 nan 0.000 0.317 18 F N 1.295 121.329 119.950 0.141 0.000 2.069 18 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 18 F C 2.543 178.345 175.800 0.003 0.000 1.113 18 F CA 2.511 60.587 58.000 0.127 0.000 1.214 18 F CB -0.231 38.910 39.000 0.234 0.000 0.978 18 F HN 0.263 nan 8.300 nan 0.000 0.474 19 A N -0.648 122.276 122.820 0.174 0.000 1.902 19 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 19 A C 2.149 179.653 177.584 -0.132 0.000 1.181 19 A CA 2.345 54.220 52.037 -0.270 0.000 0.623 19 A CB -1.450 17.286 19.000 -0.440 0.000 0.818 19 A HN 0.462 nan 8.150 nan 0.000 0.443 20 T N 0.051 114.623 114.554 0.030 0.000 2.684 20 T HA -0.202 4.147 4.350 -0.001 0.000 0.267 20 T C 2.077 176.834 174.700 0.095 0.000 1.036 20 T CA 1.858 64.029 62.100 0.120 0.000 1.148 20 T CB -0.284 68.663 68.868 0.131 0.000 0.863 20 T HN 0.636 nan 8.240 nan 0.000 0.436 21 Q N 0.429 120.227 119.800 -0.003 0.000 2.119 21 Q HA 0.067 4.406 4.340 -0.001 0.000 0.201 21 Q C 2.748 178.666 176.000 -0.135 0.000 0.972 21 Q CA 1.192 56.955 55.803 -0.067 0.000 0.847 21 Q CB -0.308 28.356 28.738 -0.124 0.000 0.903 21 Q HN 0.550 nan 8.270 nan 0.000 0.433 22 A N 0.691 123.371 122.820 -0.233 0.000 1.940 22 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 22 A C 1.941 179.440 177.584 -0.142 0.000 1.176 22 A CA 1.285 53.190 52.037 -0.219 0.000 0.631 22 A CB -0.463 18.407 19.000 -0.216 0.000 0.814 22 A HN 0.325 nan 8.150 nan 0.000 0.446 23 I N -2.209 118.268 120.570 -0.155 0.000 2.852 23 I HA -0.050 4.119 4.170 -0.001 0.000 0.264 23 I C 2.103 177.983 176.117 -0.396 0.000 1.179 23 I CA 0.740 61.879 61.300 -0.267 0.000 1.480 23 I CB -0.100 37.710 38.000 -0.316 0.000 1.111 23 I HN 0.364 nan 8.210 nan 0.000 0.441 24 H N -0.712 118.336 119.070 -0.037 0.000 2.788 24 H HA 0.308 4.863 4.556 -0.001 0.000 0.262 24 H C 0.614 175.925 175.328 -0.028 0.000 0.968 24 H CA 0.191 56.225 56.048 -0.023 0.000 1.218 24 H CB 0.515 30.260 29.762 -0.029 0.000 1.443 24 H HN -0.036 nan 8.280 nan 0.000 0.478 25 V N 1.483 121.423 119.914 0.044 0.000 2.585 25 V HA 0.190 4.309 4.120 -0.001 0.000 0.296 25 V C 1.437 177.537 176.094 0.009 0.000 1.035 25 V CA 1.155 63.458 62.300 0.005 0.000 1.084 25 V CB 0.747 32.546 31.823 -0.040 0.000 0.953 25 V HN 0.795 nan 8.190 nan 0.000 0.483 26 G N 3.933 112.742 108.800 0.015 0.000 2.168 26 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.263 26 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.263 26 G C 0.496 175.452 174.900 0.094 0.000 0.977 26 G CA 0.423 45.547 45.100 0.039 0.000 0.659 26 G HN 0.669 nan 8.290 nan 0.000 0.533 27 Q N 0.224 120.080 119.800 0.093 0.000 2.179 27 Q HA 0.177 4.516 4.340 -0.001 0.000 0.213 27 Q C 0.204 176.298 176.000 0.158 0.000 0.833 27 Q CA -0.189 55.708 55.803 0.155 0.000 0.990 27 Q CB 0.590 29.386 28.738 0.096 0.000 1.132 27 Q HN 0.570 nan 8.270 nan 0.000 0.493 28 D N 2.622 123.055 120.400 0.054 0.000 2.472 28 D HA 0.004 4.644 4.640 -0.001 0.000 0.248 28 D C -1.589 174.675 176.300 -0.059 0.000 1.174 28 D CA -1.586 52.408 54.000 -0.011 0.000 0.883 28 D CB 1.425 42.171 40.800 -0.089 0.000 1.149 28 D HN -0.071 nan 8.370 nan 0.000 0.488 29 P HA -0.104 nan 4.420 nan 0.000 0.221 29 P C 0.753 178.000 177.300 -0.089 0.000 1.145 29 P CA 0.770 63.921 63.100 0.085 0.000 0.795 29 P CB 0.348 32.116 31.700 0.113 0.000 0.775 30 E N -0.439 119.667 120.200 -0.157 0.000 2.338 30 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 30 E C 1.915 178.316 176.600 -0.332 0.000 1.007 30 E CA 0.794 57.088 56.400 -0.176 0.000 0.849 30 E CB -0.697 28.924 29.700 -0.132 0.000 0.774 30 E HN 0.395 nan 8.360 nan 0.000 0.506 31 Q N -1.180 118.218 119.800 -0.671 0.000 2.291 31 Q HA -0.108 4.232 4.340 -0.001 0.000 0.206 31 Q C -0.252 175.202 176.000 -0.911 0.000 0.976 31 Q CA 0.788 55.960 55.803 -1.051 0.000 0.875 31 Q CB 0.056 27.671 28.738 -1.872 0.000 0.927 31 Q HN 0.303 nan 8.270 nan 0.000 0.450 32 W N -0.783 120.524 121.300 0.011 0.000 2.666 32 W HA 0.227 4.887 4.660 -0.001 0.000 0.334 32 W C 1.273 177.797 176.519 0.009 0.000 1.051 32 W CA -0.695 56.656 57.345 0.011 0.000 1.224 32 W CB 0.787 30.253 29.460 0.010 0.000 1.405 32 W HN -0.125 nan 8.180 nan 0.000 0.513 33 T N -2.761 111.931 114.554 0.231 0.000 2.849 33 T HA -0.257 4.093 4.350 -0.001 0.000 0.270 33 T C 1.714 176.487 174.700 0.123 0.000 1.066 33 T CA 1.810 63.986 62.100 0.127 0.000 1.130 33 T CB -0.541 68.387 68.868 0.100 0.000 0.864 33 T HN 0.462 nan 8.240 nan 0.000 0.481 34 S N 1.187 116.986 115.700 0.164 0.000 2.453 34 S HA 0.014 4.483 4.470 -0.001 0.000 0.231 34 S C 1.109 175.784 174.600 0.125 0.000 1.005 34 S CA 0.047 58.317 58.200 0.117 0.000 0.949 34 S CB -0.451 62.800 63.200 0.086 0.000 0.774 34 S HN 0.439 nan 8.310 nan 0.000 0.510 35 R N 0.480 121.089 120.500 0.182 0.000 3.758 35 R HA -0.119 4.220 4.340 -0.001 0.000 0.299 35 R C 0.353 176.766 176.300 0.187 0.000 1.182 35 R CA 0.769 56.969 56.100 0.165 0.000 0.809 35 R CB -3.001 27.352 30.300 0.089 0.000 1.249 35 R HN 0.773 nan 8.270 nan 0.000 0.497 36 A N 0.655 123.611 122.820 0.226 0.000 2.565 36 A HA 0.202 4.521 4.320 -0.001 0.000 0.237 36 A C 1.770 179.473 177.584 0.199 0.000 1.053 36 A CA 0.543 52.664 52.037 0.140 0.000 0.755 36 A CB 0.366 19.363 19.000 -0.005 0.000 0.980 36 A HN 0.495 nan 8.150 nan 0.000 0.506 37 V N 1.706 121.692 119.914 0.120 0.000 3.129 37 V HA 0.130 4.250 4.120 -0.001 0.000 0.259 37 V C 0.597 176.762 176.094 0.118 0.000 1.116 37 V CA 0.886 63.262 62.300 0.126 0.000 1.127 37 V CB -0.851 31.025 31.823 0.088 0.000 0.742 37 V HN 0.461 nan 8.190 nan 0.000 0.474 38 V N 1.883 121.843 119.914 0.076 0.000 2.459 38 V HA 0.479 4.599 4.120 -0.001 0.000 0.295 38 V C -2.448 173.635 176.094 -0.017 0.000 1.029 38 V CA -2.025 60.310 62.300 0.057 0.000 0.874 38 V CB 1.198 33.046 31.823 0.041 0.000 0.985 38 V HN 0.267 nan 8.190 nan 0.000 0.438 39 P HA 0.167 nan 4.420 nan 0.000 0.263 39 P C -2.537 174.486 177.300 -0.462 0.000 1.195 39 P CA -0.707 62.219 63.100 -0.290 0.000 0.762 39 P CB -0.196 31.535 31.700 0.051 0.000 0.799 40 P HA 0.053 nan 4.420 nan 0.000 0.268 40 P C -0.155 176.916 177.300 -0.382 0.000 1.208 40 P CA 0.320 63.100 63.100 -0.534 0.000 0.777 40 P CB 0.279 31.634 31.700 -0.575 0.000 0.875 41 I N 1.137 121.527 120.570 -0.300 0.000 2.347 41 I HA 0.058 4.227 4.170 -0.001 0.000 0.294 41 I C 0.840 176.866 176.117 -0.152 0.000 1.090 41 I CA 0.188 61.365 61.300 -0.205 0.000 1.314 41 I CB 0.096 37.952 38.000 -0.240 0.000 1.423 41 I HN 0.217 nan 8.210 nan 0.000 0.503 42 S N 6.929 122.572 115.700 -0.095 0.000 2.399 42 S HA 0.384 4.854 4.470 -0.001 0.000 0.301 42 S C 0.994 175.585 174.600 -0.016 0.000 1.093 42 S CA -0.669 57.506 58.200 -0.042 0.000 1.077 42 S CB 0.408 63.630 63.200 0.037 0.000 0.980 42 S HN 0.593 nan 8.310 nan 0.000 0.494 43 L N 3.469 124.662 121.223 -0.050 0.000 2.446 43 L HA 0.162 4.501 4.340 -0.001 0.000 0.219 43 L C 1.533 178.360 176.870 -0.072 0.000 1.116 43 L CA -0.020 54.792 54.840 -0.046 0.000 0.844 43 L CB -0.355 41.668 42.059 -0.059 0.000 0.970 43 L HN 0.571 nan 8.230 nan 0.000 0.457 44 S N 0.347 115.966 115.700 -0.135 0.000 2.593 44 S HA -0.064 4.406 4.470 -0.001 0.000 0.300 44 S C 1.447 175.866 174.600 -0.302 0.000 1.267 44 S CA 0.421 58.451 58.200 -0.283 0.000 1.065 44 S CB 0.618 63.526 63.200 -0.486 0.000 0.807 44 S HN 0.464 nan 8.310 nan 0.000 0.499 45 T N 1.446 115.853 114.554 -0.245 0.000 3.037 45 T HA 0.199 4.549 4.350 -0.001 0.000 0.251 45 T C 0.547 175.150 174.700 -0.162 0.000 1.079 45 T CA 0.104 62.137 62.100 -0.111 0.000 1.067 45 T CB -0.067 68.775 68.868 -0.045 0.000 0.948 45 T HN 0.537 nan 8.240 nan 0.000 0.496 46 T N 1.844 116.147 114.554 -0.418 0.000 2.885 46 T HA 0.690 5.039 4.350 -0.001 0.000 0.285 46 T C -1.383 172.929 174.700 -0.646 0.000 1.019 46 T CA -0.539 61.386 62.100 -0.291 0.000 1.010 46 T CB 1.314 70.090 68.868 -0.153 0.000 1.022 46 T HN 0.182 nan 8.240 nan 0.000 0.466 47 F N 1.107 121.059 119.950 0.003 0.000 2.569 47 F HA 0.489 5.016 4.527 0.000 0.000 0.312 47 F C 0.268 176.071 175.800 0.006 0.000 1.109 47 F CA -1.269 56.736 58.000 0.007 0.000 0.919 47 F CB 1.845 40.851 39.000 0.011 0.000 1.211 47 F HN 0.353 nan 8.300 nan 0.000 0.446 48 K N 3.565 124.056 120.400 0.151 0.000 2.412 48 K HA 0.200 4.520 4.320 -0.001 0.000 0.281 48 K C -0.143 176.519 176.600 0.102 0.000 1.027 48 K CA -0.268 56.075 56.287 0.093 0.000 0.989 48 K CB 0.740 33.276 32.500 0.060 0.000 0.935 48 K HN 0.878 nan 8.250 nan 0.000 0.475 65 N N 0.854 119.560 118.700 0.010 0.000 2.416 65 N HA 0.437 5.176 4.740 -0.001 0.000 0.276 65 N C -2.526 173.035 175.510 0.084 0.000 1.261 65 N CA -1.152 51.937 53.050 0.066 0.000 0.790 65 N CB 2.936 41.503 38.487 0.133 0.000 1.554 65 N HN 0.010 nan 8.380 nan 0.000 0.481 66 P HA -0.066 nan 4.420 nan 0.000 0.215 66 P C 1.169 178.585 177.300 0.194 0.000 1.157 66 P CA 2.141 65.373 63.100 0.219 0.000 0.868 66 P CB 0.004 31.901 31.700 0.328 0.000 0.788 67 T N -0.681 113.942 114.554 0.116 0.000 2.746 67 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 67 T C 1.908 176.658 174.700 0.083 0.000 1.039 67 T CA 1.230 63.380 62.100 0.083 0.000 1.142 67 T CB -0.519 68.373 68.868 0.040 0.000 0.866 67 T HN 0.121 nan 8.240 nan 0.000 0.444 68 R N 1.109 121.646 120.500 0.063 0.000 2.081 68 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 68 R C 2.128 178.453 176.300 0.041 0.000 1.131 68 R CA 1.508 57.629 56.100 0.036 0.000 0.960 68 R CB -0.189 30.116 30.300 0.010 0.000 0.856 68 R HN 0.275 nan 8.270 nan 0.000 0.436 69 N N 0.280 119.016 118.700 0.061 0.000 2.120 69 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 69 N C 1.818 177.371 175.510 0.071 0.000 1.024 69 N CA 1.498 54.585 53.050 0.061 0.000 0.852 69 N CB -0.762 37.764 38.487 0.065 0.000 1.003 69 N HN 0.272 nan 8.380 nan 0.000 0.424 70 C N 0.508 119.874 119.300 0.110 0.000 2.413 70 C HA -0.049 4.410 4.460 -0.001 0.000 0.276 70 C C 2.706 177.733 174.990 0.062 0.000 1.248 70 C CA 0.159 59.245 59.018 0.113 0.000 1.742 70 C CB -1.210 26.645 27.740 0.192 0.000 2.017 70 C HN 0.422 nan 8.230 nan 0.000 0.481 71 L N 1.427 122.680 121.223 0.050 0.000 2.017 71 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 71 L C 2.392 179.268 176.870 0.011 0.000 1.073 71 L CA 1.943 56.794 54.840 0.020 0.000 0.745 71 L CB -0.927 41.140 42.059 0.014 0.000 0.894 71 L HN 0.371 nan 8.230 nan 0.000 0.432 72 E N -0.503 119.708 120.200 0.020 0.000 2.077 72 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 72 E C 2.173 178.787 176.600 0.022 0.000 0.989 72 E CA 1.324 57.739 56.400 0.025 0.000 0.800 72 E CB -0.130 29.590 29.700 0.034 0.000 0.746 72 E HN 0.463 nan 8.360 nan 0.000 0.452 73 K N 0.421 120.832 120.400 0.019 0.000 2.044 73 K HA -0.198 4.121 4.320 -0.001 0.000 0.210 73 K C 2.235 178.818 176.600 -0.028 0.000 1.049 73 K CA 1.254 57.539 56.287 -0.004 0.000 0.927 73 K CB -0.217 32.284 32.500 0.002 0.000 0.713 73 K HN 0.071 nan 8.250 nan 0.000 0.443 74 A N 0.908 123.712 122.820 -0.027 0.000 1.877 74 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 74 A C 2.374 179.907 177.584 -0.085 0.000 1.186 74 A CA 1.658 53.659 52.037 -0.061 0.000 0.620 74 A CB -0.700 18.268 19.000 -0.054 0.000 0.822 74 A HN 0.099 nan 8.150 nan 0.000 0.443 75 V N -0.038 119.843 119.914 -0.055 0.000 2.343 75 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 75 V C 3.048 179.127 176.094 -0.025 0.000 1.051 75 V CA 1.833 64.102 62.300 -0.051 0.000 1.036 75 V CB -1.421 30.389 31.823 -0.021 0.000 0.654 75 V HN 0.627 nan 8.190 nan 0.000 0.451 76 A N 0.394 123.206 122.820 -0.013 0.000 1.873 76 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 76 A C 2.474 180.021 177.584 -0.061 0.000 1.193 76 A CA 2.607 54.632 52.037 -0.021 0.000 0.629 76 A CB -1.018 17.959 19.000 -0.038 0.000 0.826 76 A HN 0.602 nan 8.150 nan 0.000 0.447 77 A N -0.294 122.473 122.820 -0.088 0.000 1.883 77 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 77 A C 2.168 179.665 177.584 -0.145 0.000 1.186 77 A CA 1.637 53.606 52.037 -0.113 0.000 0.624 77 A CB -0.716 18.212 19.000 -0.120 0.000 0.822 77 A HN 0.509 nan 8.150 nan 0.000 0.444 78 L N -0.597 120.509 121.223 -0.195 0.000 2.127 78 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 78 L C 1.622 178.475 176.870 -0.029 0.000 1.089 78 L CA 1.417 56.097 54.840 -0.266 0.000 0.757 78 L CB -0.648 41.219 42.059 -0.321 0.000 0.899 78 L HN 0.362 nan 8.230 nan 0.000 0.434 79 D N 0.004 120.402 120.400 -0.004 0.000 2.355 79 D HA 0.010 4.649 4.640 -0.001 0.000 0.218 79 D C 1.521 177.781 176.300 -0.066 0.000 1.004 79 D CA 1.003 55.018 54.000 0.024 0.000 0.880 79 D CB 0.345 41.201 40.800 0.093 0.000 0.911 79 D HN 0.416 nan 8.370 nan 0.000 0.528 80 G N 0.885 109.629 108.800 -0.092 0.000 2.179 80 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.257 80 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.257 80 G C 0.388 175.237 174.900 -0.085 0.000 1.010 80 G CA 0.443 45.482 45.100 -0.101 0.000 0.736 80 G HN 0.575 nan 8.290 nan 0.000 0.513 81 A N -0.832 121.944 122.820 -0.075 0.000 2.294 81 A HA 0.825 5.144 4.320 -0.001 0.000 0.330 81 A C 1.220 178.704 177.584 -0.167 0.000 1.133 81 A CA 0.210 52.199 52.037 -0.081 0.000 0.836 81 A CB 0.756 19.746 19.000 -0.018 0.000 1.190 81 A HN 0.191 nan 8.150 nan 0.000 0.492 82 K N -0.434 119.802 120.400 -0.274 0.000 2.103 82 K HA 0.020 4.339 4.320 -0.001 0.000 0.204 82 K C -0.652 175.496 176.600 -0.754 0.000 1.052 82 K CA 1.362 57.289 56.287 -0.600 0.000 0.945 82 K CB -0.085 31.858 32.500 -0.928 0.000 0.722 82 K HN 0.693 nan 8.250 nan 0.000 0.443 83 Y N -1.618 118.586 120.300 -0.160 0.000 2.581 83 Y HA 0.384 4.933 4.550 -0.001 0.000 0.345 83 Y C -0.494 175.370 175.900 -0.060 0.000 1.036 83 Y CA -1.355 56.618 58.100 -0.211 0.000 1.042 83 Y CB 1.998 40.104 38.460 -0.590 0.000 1.289 83 Y HN -0.119 nan 8.280 nan 0.000 0.471 84 C N 2.243 121.648 119.300 0.176 0.000 2.985 84 C HA 0.852 5.311 4.460 -0.001 0.000 0.314 84 C C -2.047 173.031 174.990 0.146 0.000 1.215 84 C CA -0.768 58.348 59.018 0.164 0.000 1.414 84 C CB 0.488 28.296 27.740 0.113 0.000 1.842 84 C HN 0.734 nan 8.230 nan 0.000 0.477 85 L N 4.364 125.665 121.223 0.130 0.000 2.385 85 L HA 0.800 5.139 4.340 -0.001 0.000 0.273 85 L C 0.337 177.055 176.870 -0.254 0.000 0.990 85 L CA -0.137 54.663 54.840 -0.067 0.000 0.821 85 L CB 1.572 43.608 42.059 -0.038 0.000 1.279 85 L HN 0.873 nan 8.230 nan 0.000 0.412 86 A N 2.659 125.228 122.820 -0.418 0.000 2.306 86 A HA 0.919 5.238 4.320 -0.001 0.000 0.314 86 A C -1.036 176.156 177.584 -0.653 0.000 1.164 86 A CA -0.194 51.658 52.037 -0.309 0.000 0.822 86 A CB 0.472 19.395 19.000 -0.129 0.000 1.130 86 A HN 0.503 nan 8.150 nan 0.000 0.496 87 F N -0.198 119.785 119.950 0.055 0.000 2.620 87 F HA 0.555 5.081 4.527 -0.002 0.000 0.320 87 F C 1.304 177.120 175.800 0.027 0.000 1.069 87 F CA -0.086 57.935 58.000 0.035 0.000 0.953 87 F CB 2.037 41.060 39.000 0.038 0.000 1.322 87 F HN 0.612 nan 8.300 nan 0.000 0.479 88 A N 0.402 123.353 122.820 0.219 0.000 2.070 88 A HA 0.198 4.518 4.320 -0.001 0.000 0.220 88 A C 0.536 178.179 177.584 0.099 0.000 1.159 88 A CA 1.622 53.727 52.037 0.114 0.000 0.656 88 A CB -0.640 18.408 19.000 0.080 0.000 0.800 88 A HN 0.827 nan 8.150 nan 0.000 0.453 89 S N -5.249 110.526 115.700 0.126 0.000 2.627 89 S HA 0.477 4.947 4.470 -0.001 0.000 0.268 89 S C 0.900 175.558 174.600 0.096 0.000 1.130 89 S CA 0.113 58.365 58.200 0.087 0.000 0.819 89 S CB 0.618 63.843 63.200 0.042 0.000 1.100 89 S HN 0.866 nan 8.310 nan 0.000 0.465 90 G N 0.627 109.475 108.800 0.080 0.000 2.446 90 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.217 90 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.217 90 G C 1.162 176.080 174.900 0.030 0.000 1.168 90 G CA 1.086 46.238 45.100 0.087 0.000 0.771 90 G HN 0.688 nan 8.290 nan 0.000 0.551 91 L N 0.569 121.786 121.223 -0.011 0.000 2.046 91 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 91 L C 3.427 180.161 176.870 -0.226 0.000 1.077 91 L CA 1.120 55.887 54.840 -0.122 0.000 0.747 91 L CB -0.422 41.580 42.059 -0.095 0.000 0.896 91 L HN 0.332 nan 8.230 nan 0.000 0.432 92 A N -0.164 122.567 122.820 -0.149 0.000 1.933 92 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 92 A C 2.525 179.892 177.584 -0.361 0.000 1.175 92 A CA 1.560 53.481 52.037 -0.193 0.000 0.628 92 A CB -0.597 18.373 19.000 -0.049 0.000 0.814 92 A HN 0.415 nan 8.150 nan 0.000 0.444 93 A N -0.771 121.852 122.820 -0.328 0.000 1.908 93 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 93 A C 2.317 179.728 177.584 -0.289 0.000 1.181 93 A CA 2.369 54.075 52.037 -0.552 0.000 0.627 93 A CB -1.283 17.663 19.000 -0.089 0.000 0.818 93 A HN 0.430 nan 8.150 nan 0.000 0.445 94 T N -0.358 114.111 114.554 -0.141 0.000 2.708 94 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 94 T C 1.893 176.434 174.700 -0.264 0.000 1.037 94 T CA 1.541 63.542 62.100 -0.164 0.000 1.146 94 T CB -0.471 68.143 68.868 -0.423 0.000 0.865 94 T HN 0.153 nan 8.240 nan 0.000 0.435 95 V N 1.810 121.444 119.914 -0.467 0.000 2.287 95 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 95 V C 2.797 178.889 176.094 -0.005 0.000 1.053 95 V CA 2.140 64.208 62.300 -0.388 0.000 1.027 95 V CB -1.250 30.281 31.823 -0.487 0.000 0.646 95 V HN 0.550 nan 8.190 nan 0.000 0.447 96 T N 0.299 114.739 114.554 -0.190 0.000 2.708 96 T HA -0.129 4.220 4.350 -0.001 0.000 0.266 96 T C 1.845 176.568 174.700 0.038 0.000 1.037 96 T CA 1.808 63.820 62.100 -0.147 0.000 1.146 96 T CB -0.323 68.286 68.868 -0.432 0.000 0.865 96 T HN 0.345 nan 8.240 nan 0.000 0.435 97 I N 1.420 122.010 120.570 0.033 0.000 2.208 97 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 97 I C 2.639 178.894 176.117 0.230 0.000 1.097 97 I CA 1.195 62.602 61.300 0.177 0.000 1.363 97 I CB -0.710 37.481 38.000 0.317 0.000 1.051 97 I HN 0.261 nan 8.210 nan 0.000 0.413 98 T N -1.265 113.443 114.554 0.256 0.000 2.881 98 T HA -0.196 4.153 4.350 -0.001 0.000 0.270 98 T C 1.506 176.281 174.700 0.126 0.000 1.068 98 T CA 1.257 63.507 62.100 0.250 0.000 1.131 98 T CB -0.429 68.677 68.868 0.397 0.000 0.871 98 T HN 0.392 nan 8.240 nan 0.000 0.479 99 H N 0.307 119.437 119.070 0.101 0.000 2.563 99 H HA 0.265 4.820 4.556 -0.002 0.000 0.272 99 H C 1.700 177.082 175.328 0.089 0.000 1.005 99 H CA 0.262 56.355 56.048 0.076 0.000 1.171 99 H CB -0.447 29.341 29.762 0.043 0.000 1.351 99 H HN 0.268 nan 8.280 nan 0.000 0.602 100 L N -0.229 121.099 121.223 0.175 0.000 2.376 100 L HA -0.027 4.312 4.340 -0.001 0.000 0.219 100 L C 0.620 177.543 176.870 0.090 0.000 1.133 100 L CA 0.414 55.334 54.840 0.133 0.000 0.816 100 L CB -0.053 42.085 42.059 0.131 0.000 0.933 100 L HN 0.220 nan 8.230 nan 0.000 0.449 101 L N -0.526 120.738 121.223 0.068 0.000 2.770 101 L HA 0.351 4.691 4.340 -0.001 0.000 0.229 101 L C -0.051 176.832 176.870 0.021 0.000 1.173 101 L CA -0.596 54.265 54.840 0.036 0.000 0.871 101 L CB 0.724 42.795 42.059 0.020 0.000 1.682 101 L HN 0.018 nan 8.230 nan 0.000 0.523 102 K N -0.680 119.726 120.400 0.010 0.000 2.555 102 K HA 0.691 5.011 4.320 -0.001 0.000 0.279 102 K C -1.303 175.302 176.600 0.008 0.000 0.986 102 K CA -0.961 55.333 56.287 0.012 0.000 0.880 102 K CB 1.596 34.106 32.500 0.017 0.000 1.474 102 K HN 0.463 nan 8.250 nan 0.000 0.433 103 A N 0.433 123.264 122.820 0.019 0.000 2.567 103 A HA 0.401 4.720 4.320 -0.001 0.000 0.240 103 A C 1.272 178.860 177.584 0.006 0.000 1.053 103 A CA 1.335 53.385 52.037 0.021 0.000 0.755 103 A CB -1.278 17.742 19.000 0.034 0.000 0.978 103 A HN 1.475 nan 8.150 nan 0.000 0.507 104 G N 2.172 110.970 108.800 -0.004 0.000 2.238 104 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 104 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 104 G C -0.030 174.858 174.900 -0.020 0.000 0.996 104 G CA 0.206 45.299 45.100 -0.012 0.000 0.632 104 G HN 0.791 nan 8.290 nan 0.000 0.503 105 D N 0.900 121.287 120.400 -0.020 0.000 2.357 105 D HA 0.447 5.086 4.640 -0.001 0.000 0.242 105 D C 0.470 176.739 176.300 -0.053 0.000 1.153 105 D CA 0.269 54.253 54.000 -0.027 0.000 0.918 105 D CB 0.973 41.763 40.800 -0.018 0.000 1.181 105 D HN 0.505 nan 8.370 nan 0.000 0.435 106 Q N 0.995 120.758 119.800 -0.062 0.000 2.309 106 Q HA 0.493 4.832 4.340 -0.001 0.000 0.264 106 Q C -1.127 174.796 176.000 -0.129 0.000 1.008 106 Q CA -0.671 55.073 55.803 -0.098 0.000 0.853 106 Q CB 1.164 29.852 28.738 -0.083 0.000 1.314 106 Q HN 0.419 nan 8.270 nan 0.000 0.448 107 I N 4.618 125.057 120.570 -0.218 0.000 2.378 107 I HA 0.358 4.527 4.170 -0.001 0.000 0.291 107 I C -0.357 175.556 176.117 -0.339 0.000 0.992 107 I CA -0.752 60.364 61.300 -0.307 0.000 1.154 107 I CB 1.578 39.247 38.000 -0.553 0.000 1.315 107 I HN 0.559 nan 8.210 nan 0.000 0.448 108 I N 5.836 126.264 120.570 -0.236 0.000 2.315 108 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 108 I C -0.304 175.700 176.117 -0.189 0.000 1.006 108 I CA -0.286 60.891 61.300 -0.206 0.000 1.265 108 I CB 1.462 39.404 38.000 -0.096 0.000 1.387 108 I HN 0.581 nan 8.210 nan 0.000 0.475 109 C N 7.912 127.058 119.300 -0.257 0.000 2.417 109 C HA 0.556 5.016 4.460 -0.001 0.000 0.324 109 C C 0.312 175.399 174.990 0.162 0.000 1.240 109 C CA -0.962 58.023 59.018 -0.056 0.000 1.632 109 C CB 1.147 28.729 27.740 -0.264 0.000 2.241 109 C HN 0.803 nan 8.230 nan 0.000 0.499 110 M N 4.882 124.646 119.600 0.273 0.000 2.235 110 M HA 0.094 4.573 4.480 -0.001 0.000 0.336 110 M C 1.376 177.884 176.300 0.347 0.000 1.146 110 M CA 0.734 56.188 55.300 0.257 0.000 1.018 110 M CB 0.368 33.110 32.600 0.235 0.000 1.694 110 M HN 0.817 nan 8.290 nan 0.000 0.451 111 D N 1.490 122.047 120.400 0.261 0.000 2.183 111 D HA -0.099 4.540 4.640 -0.001 0.000 0.203 111 D C -0.175 176.205 176.300 0.133 0.000 0.969 111 D CA 1.014 55.156 54.000 0.237 0.000 0.842 111 D CB -0.428 40.462 40.800 0.149 0.000 0.957 111 D HN 0.648 nan 8.370 nan 0.000 0.484 112 D N 0.043 120.524 120.400 0.136 0.000 2.373 112 D HA 0.390 5.030 4.640 -0.001 0.000 0.227 112 D C -0.432 175.970 176.300 0.170 0.000 1.091 112 D CA -0.641 53.427 54.000 0.112 0.000 0.840 112 D CB 1.314 42.159 40.800 0.076 0.000 1.060 112 D HN 0.053 nan 8.370 nan 0.000 0.502 113 V N 1.479 121.522 119.914 0.214 0.000 3.181 113 V HA 0.490 4.610 4.120 -0.001 0.000 0.308 113 V C -0.540 175.752 176.094 0.330 0.000 1.214 113 V CA -1.349 61.117 62.300 0.277 0.000 1.053 113 V CB 0.829 32.861 31.823 0.349 0.000 1.069 113 V HN 0.405 nan 8.190 nan 0.000 0.441 114 Y N 2.045 122.452 120.300 0.178 0.000 2.881 114 Y HA 0.295 4.844 4.550 -0.001 0.000 0.335 114 Y C 1.495 177.324 175.900 -0.119 0.000 1.263 114 Y CA 0.833 58.966 58.100 0.055 0.000 1.572 114 Y CB 0.753 39.250 38.460 0.062 0.000 1.237 114 Y HN 1.030 nan 8.280 nan 0.000 0.568 115 G N 4.496 112.644 108.800 -1.087 0.000 2.547 115 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.221 115 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.221 115 G C 1.622 176.072 174.900 -0.750 0.000 1.140 115 G CA 0.907 45.464 45.100 -0.904 0.000 0.760 115 G HN 1.008 nan 8.290 nan 0.000 0.583 116 G N -0.273 107.772 108.800 -1.259 0.000 2.432 116 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.219 116 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.219 116 G C 1.830 176.581 174.900 -0.249 0.000 1.135 116 G CA 1.717 46.463 45.100 -0.589 0.000 0.767 116 G HN 0.417 nan 8.290 nan 0.000 0.550 117 T N 0.857 115.303 114.554 -0.179 0.000 2.737 117 T HA -0.127 4.222 4.350 -0.001 0.000 0.265 117 T C 2.275 176.879 174.700 -0.160 0.000 1.038 117 T CA 1.030 63.006 62.100 -0.206 0.000 1.144 117 T CB -0.286 68.549 68.868 -0.054 0.000 0.866 117 T HN 0.297 nan 8.240 nan 0.000 0.434 118 N N 1.454 120.142 118.700 -0.020 0.000 2.036 118 N HA -0.175 4.564 4.740 -0.001 0.000 0.195 118 N C 2.125 177.673 175.510 0.065 0.000 1.037 118 N CA 1.554 54.665 53.050 0.102 0.000 0.855 118 N CB -0.233 38.213 38.487 -0.067 0.000 1.033 118 N HN 0.352 nan 8.380 nan 0.000 0.423 119 R N -0.704 119.762 120.500 -0.057 0.000 2.083 119 R HA -0.224 4.116 4.340 -0.001 0.000 0.237 119 R C 2.392 178.700 176.300 0.014 0.000 1.137 119 R CA 1.666 57.745 56.100 -0.034 0.000 0.951 119 R CB -0.687 29.564 30.300 -0.081 0.000 0.851 119 R HN 0.371 nan 8.270 nan 0.000 0.434 120 Y N 0.626 120.831 120.300 -0.158 0.000 2.114 120 Y HA -0.236 4.313 4.550 -0.002 0.000 0.284 120 Y C 1.757 177.618 175.900 -0.065 0.000 1.143 120 Y CA 1.649 59.641 58.100 -0.180 0.000 1.135 120 Y CB -0.725 37.512 38.460 -0.371 0.000 0.980 120 Y HN 0.001 nan 8.280 nan 0.000 0.499 121 F N 0.478 120.214 119.950 -0.356 0.000 2.075 121 F HA -0.133 4.394 4.527 -0.002 0.000 0.297 121 F C 2.856 178.524 175.800 -0.220 0.000 1.113 121 F CA 1.964 59.709 58.000 -0.425 0.000 1.218 121 F CB -1.206 37.638 39.000 -0.259 0.000 0.984 121 F HN -0.004 nan 8.300 nan 0.000 0.472 122 R N -0.005 120.608 120.500 0.188 0.000 2.075 122 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 122 R C 1.962 178.289 176.300 0.045 0.000 1.126 122 R CA 1.712 57.910 56.100 0.163 0.000 0.963 122 R CB -0.114 30.311 30.300 0.208 0.000 0.858 122 R HN 0.389 nan 8.270 nan 0.000 0.435 123 Q N -1.423 118.386 119.800 0.014 0.000 2.396 123 Q HA 0.063 4.402 4.340 -0.001 0.000 0.220 123 Q C 1.619 177.624 176.000 0.008 0.000 0.900 123 Q CA 0.437 56.244 55.803 0.007 0.000 0.925 123 Q CB 1.126 29.874 28.738 0.017 0.000 1.065 123 Q HN 0.158 nan 8.270 nan 0.000 0.535 124 V N -0.346 119.563 119.914 -0.007 0.000 2.870 124 V HA 0.126 4.245 4.120 -0.001 0.000 0.232 124 V C 1.997 178.148 176.094 0.094 0.000 1.161 124 V CA 1.106 63.464 62.300 0.096 0.000 1.204 124 V CB -0.657 31.306 31.823 0.234 0.000 1.003 124 V HN 0.222 nan 8.190 nan 0.000 0.499 125 A N 1.524 124.208 122.820 -0.226 0.000 1.940 125 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 125 A C 2.479 180.057 177.584 -0.010 0.000 1.176 125 A CA 2.546 54.494 52.037 -0.149 0.000 0.631 125 A CB -0.893 17.850 19.000 -0.428 0.000 0.814 125 A HN 0.722 nan 8.150 nan 0.000 0.446 126 S N -0.084 115.575 115.700 -0.068 0.000 2.402 126 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 126 S C 1.355 175.899 174.600 -0.092 0.000 1.030 126 S CA 1.436 59.595 58.200 -0.068 0.000 1.003 126 S CB -0.398 62.767 63.200 -0.058 0.000 0.813 126 S HN 0.584 nan 8.310 nan 0.000 0.477 127 E N 0.341 120.452 120.200 -0.148 0.000 2.511 127 E HA 0.124 4.473 4.350 -0.001 0.000 0.196 127 E C -0.313 175.902 176.600 -0.643 0.000 1.066 127 E CA 0.341 56.504 56.400 -0.395 0.000 0.871 127 E CB -0.153 29.230 29.700 -0.529 0.000 0.863 127 E HN 0.751 nan 8.360 nan 0.000 0.520 128 F N 0.009 119.932 119.950 -0.045 0.000 2.831 128 F HA 0.324 4.850 4.527 -0.001 0.000 0.355 128 F C 1.270 177.042 175.800 -0.047 0.000 1.341 128 F CA -0.232 57.745 58.000 -0.038 0.000 1.201 128 F CB 0.963 39.940 39.000 -0.038 0.000 1.058 128 F HN -0.037 nan 8.300 nan 0.000 0.514 129 G N 0.918 109.735 108.800 0.029 0.000 2.168 129 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.257 129 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.257 129 G C -0.159 174.739 174.900 -0.004 0.000 0.997 129 G CA -0.071 45.035 45.100 0.008 0.000 0.708 129 G HN 0.377 nan 8.290 nan 0.000 0.520 130 L N -0.252 120.963 121.223 -0.012 0.000 2.317 130 L HA 0.570 4.909 4.340 -0.001 0.000 0.281 130 L C 0.506 177.328 176.870 -0.081 0.000 1.024 130 L CA -0.930 53.882 54.840 -0.047 0.000 0.810 130 L CB 1.871 43.897 42.059 -0.054 0.000 1.240 130 L HN 0.129 nan 8.230 nan 0.000 0.427 131 K N 4.016 124.357 120.400 -0.098 0.000 2.211 131 K HA 0.486 4.806 4.320 -0.001 0.000 0.275 131 K C -1.035 175.455 176.600 -0.183 0.000 1.024 131 K CA -0.558 55.661 56.287 -0.113 0.000 0.887 131 K CB 0.837 33.284 32.500 -0.088 0.000 1.084 131 K HN 0.423 nan 8.250 nan 0.000 0.463 132 I N 3.323 123.766 120.570 -0.213 0.000 2.355 132 I HA 0.202 4.372 4.170 -0.001 0.000 0.288 132 I C -0.488 175.422 176.117 -0.346 0.000 0.999 132 I CA -0.552 60.527 61.300 -0.369 0.000 1.163 132 I CB 1.233 38.996 38.000 -0.395 0.000 1.316 132 I HN 0.520 nan 8.210 nan 0.000 0.454 133 S N 6.366 121.832 115.700 -0.390 0.000 2.478 133 S HA 0.621 5.090 4.470 -0.001 0.000 0.312 133 S C -0.589 173.795 174.600 -0.360 0.000 1.094 133 S CA -0.410 57.635 58.200 -0.258 0.000 1.081 133 S CB 1.061 64.178 63.200 -0.138 0.000 1.007 133 S HN 0.254 nan 8.310 nan 0.000 0.475 134 F N 2.349 122.284 119.950 -0.024 0.000 2.405 134 F HA 0.557 5.084 4.527 -0.000 0.000 0.355 134 F C 0.104 175.910 175.800 0.010 0.000 1.121 134 F CA -0.544 57.457 58.000 0.002 0.000 1.112 134 F CB 1.079 40.090 39.000 0.018 0.000 1.126 134 F HN 0.181 nan 8.300 nan 0.000 0.481 135 V N 2.260 122.279 119.914 0.176 0.000 2.841 135 V HA 0.224 4.344 4.120 -0.001 0.000 0.310 135 V C -0.813 175.346 176.094 0.107 0.000 1.090 135 V CA -1.049 61.315 62.300 0.106 0.000 0.930 135 V CB 2.235 34.087 31.823 0.049 0.000 1.014 135 V HN 0.489 nan 8.190 nan 0.000 0.425 136 D N 2.031 122.480 120.400 0.082 0.000 2.435 136 D HA 0.142 4.781 4.640 -0.001 0.000 0.230 136 D C 0.847 177.180 176.300 0.056 0.000 1.215 136 D CA -0.074 53.969 54.000 0.072 0.000 0.947 136 D CB 0.592 41.427 40.800 0.057 0.000 1.048 136 D HN 0.624 nan 8.370 nan 0.000 0.512 137 C N 1.809 121.145 119.300 0.059 0.000 2.539 137 C HA -0.041 4.418 4.460 -0.001 0.000 0.271 137 C C 2.520 177.530 174.990 0.034 0.000 1.412 137 C CA 0.493 59.534 59.018 0.040 0.000 1.729 137 C CB -1.603 26.158 27.740 0.035 0.000 1.739 137 C HN 0.691 nan 8.230 nan 0.000 0.570 138 S N 0.567 116.293 115.700 0.043 0.000 2.474 138 S HA -0.074 4.396 4.470 -0.001 0.000 0.235 138 S C 0.522 175.142 174.600 0.033 0.000 0.997 138 S CA 0.921 59.146 58.200 0.041 0.000 0.949 138 S CB -0.344 62.887 63.200 0.052 0.000 0.766 138 S HN 0.708 nan 8.310 nan 0.000 0.517 139 K N 0.911 121.329 120.400 0.030 0.000 2.357 139 K HA 0.466 4.785 4.320 -0.001 0.000 0.251 139 K C 0.305 176.917 176.600 0.021 0.000 1.069 139 K CA -0.243 56.058 56.287 0.024 0.000 0.994 139 K CB 0.685 33.199 32.500 0.024 0.000 1.411 139 K HN 0.171 nan 8.250 nan 0.000 0.450 140 I N 2.498 123.079 120.570 0.017 0.000 2.236 140 I HA -0.408 3.761 4.170 -0.001 0.000 0.249 140 I C 2.792 178.917 176.117 0.014 0.000 1.102 140 I CA 1.825 63.133 61.300 0.014 0.000 1.365 140 I CB -0.366 37.642 38.000 0.014 0.000 1.051 140 I HN 0.650 nan 8.210 nan 0.000 0.420 141 K N 1.042 121.452 120.400 0.016 0.000 2.074 141 K HA -0.163 4.156 4.320 -0.001 0.000 0.209 141 K C 1.845 178.454 176.600 0.015 0.000 1.048 141 K CA 1.832 58.128 56.287 0.015 0.000 0.926 141 K CB -1.370 31.139 32.500 0.014 0.000 0.713 141 K HN 0.398 nan 8.250 nan 0.000 0.444 142 L N -0.490 120.743 121.223 0.017 0.000 2.093 142 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 142 L C 2.705 179.585 176.870 0.016 0.000 1.085 142 L CA 0.863 55.714 54.840 0.018 0.000 0.755 142 L CB -0.375 41.698 42.059 0.024 0.000 0.904 142 L HN 0.391 nan 8.230 nan 0.000 0.435 143 L N 0.294 121.526 121.223 0.014 0.000 2.005 143 L HA -0.216 4.124 4.340 -0.001 0.000 0.207 143 L C 2.457 179.331 176.870 0.007 0.000 1.072 143 L CA 1.853 56.698 54.840 0.008 0.000 0.744 143 L CB -0.643 41.417 42.059 0.002 0.000 0.895 143 L HN 0.256 nan 8.230 nan 0.000 0.433 144 E N -0.602 119.605 120.200 0.011 0.000 2.097 144 E HA -0.278 4.072 4.350 -0.001 0.000 0.196 144 E C 2.006 178.617 176.600 0.019 0.000 1.000 144 E CA 1.414 57.825 56.400 0.018 0.000 0.804 144 E CB -0.200 29.513 29.700 0.022 0.000 0.740 144 E HN 0.633 nan 8.360 nan 0.000 0.454 145 A N 0.523 123.352 122.820 0.015 0.000 2.014 145 A HA 0.057 4.376 4.320 -0.001 0.000 0.218 145 A C 2.228 179.816 177.584 0.007 0.000 1.163 145 A CA 1.352 53.396 52.037 0.012 0.000 0.652 145 A CB -0.349 18.657 19.000 0.011 0.000 0.808 145 A HN 0.386 nan 8.150 nan 0.000 0.449 146 A N -0.482 122.341 122.820 0.005 0.000 2.072 146 A HA 0.304 4.624 4.320 -0.001 0.000 0.216 146 A C 0.955 178.534 177.584 -0.008 0.000 1.156 146 A CA -0.073 51.962 52.037 -0.003 0.000 0.701 146 A CB -0.364 18.633 19.000 -0.006 0.000 0.816 146 A HN 0.448 nan 8.150 nan 0.000 0.458 147 I N 1.743 122.312 120.570 -0.001 0.000 2.710 147 I HA 0.120 4.290 4.170 -0.001 0.000 0.286 147 I C 0.955 177.073 176.117 0.002 0.000 1.181 147 I CA 0.446 61.747 61.300 0.002 0.000 1.430 147 I CB 0.891 38.902 38.000 0.018 0.000 1.367 147 I HN 0.391 nan 8.210 nan 0.000 0.577 148 T N 2.532 117.084 114.554 -0.004 0.000 2.864 148 T HA 0.445 4.795 4.350 -0.001 0.000 0.289 148 T C -2.252 172.447 174.700 -0.001 0.000 1.082 148 T CA -1.751 60.345 62.100 -0.006 0.000 1.009 148 T CB 1.900 70.758 68.868 -0.016 0.000 1.234 148 T HN 0.222 nan 8.240 nan 0.000 0.526 149 P HA 0.082 nan 4.420 nan 0.000 0.223 149 P C 0.752 178.052 177.300 -0.000 0.000 1.151 149 P CA 0.760 63.860 63.100 -0.000 0.000 0.787 149 P CB 0.054 31.750 31.700 -0.007 0.000 0.788 150 E N -1.590 118.605 120.200 -0.008 0.000 2.481 150 E HA 0.012 4.361 4.350 -0.001 0.000 0.195 150 E C 0.199 176.788 176.600 -0.017 0.000 1.047 150 E CA 0.427 56.819 56.400 -0.013 0.000 0.867 150 E CB -0.897 28.790 29.700 -0.021 0.000 0.858 150 E HN 0.141 nan 8.360 nan 0.000 0.513 151 T N 1.101 115.646 114.554 -0.015 0.000 2.784 151 T HA 0.103 4.452 4.350 -0.001 0.000 0.291 151 T C 0.773 175.473 174.700 -0.001 0.000 0.942 151 T CA 0.217 62.305 62.100 -0.020 0.000 1.161 151 T CB 0.678 69.537 68.868 -0.016 0.000 0.885 151 T HN -0.085 nan 8.240 nan 0.000 0.534 152 K N 1.546 121.942 120.400 -0.006 0.000 2.425 152 K HA 0.369 4.688 4.320 -0.001 0.000 0.201 152 K C -0.468 176.151 176.600 0.033 0.000 1.128 152 K CA -0.131 56.167 56.287 0.019 0.000 1.000 152 K CB 0.598 33.109 32.500 0.018 0.000 0.961 152 K HN 0.357 nan 8.250 nan 0.000 0.555 153 L N 0.623 121.854 121.223 0.013 0.000 2.438 153 L HA 0.486 4.826 4.340 -0.001 0.000 0.270 153 L C -1.712 175.168 176.870 0.016 0.000 0.972 153 L CA -0.847 54.019 54.840 0.043 0.000 0.831 153 L CB 2.055 44.155 42.059 0.069 0.000 1.273 153 L HN -0.245 nan 8.230 nan 0.000 0.405 154 V N 4.748 124.687 119.914 0.042 0.000 2.357 154 V HA 0.385 4.504 4.120 -0.001 0.000 0.284 154 V C -0.995 175.160 176.094 0.103 0.000 1.018 154 V CA -0.470 61.850 62.300 0.033 0.000 0.841 154 V CB 1.641 33.456 31.823 -0.014 0.000 0.991 154 V HN 0.801 nan 8.190 nan 0.000 0.437 155 W N 8.279 129.556 121.300 -0.037 0.000 2.318 155 W HA 0.690 5.349 4.660 -0.002 0.000 0.315 155 W C -0.894 175.664 176.519 0.065 0.000 1.033 155 W CA -0.800 56.576 57.345 0.050 0.000 1.275 155 W CB 1.568 31.115 29.460 0.145 0.000 1.250 155 W HN 0.660 nan 8.180 nan 0.000 0.421 156 I N 1.701 122.188 120.570 -0.137 0.000 2.740 156 I HA 0.592 4.761 4.170 -0.001 0.000 0.303 156 I C -0.808 175.238 176.117 -0.119 0.000 1.044 156 I CA -0.937 60.349 61.300 -0.022 0.000 1.064 156 I CB 2.648 40.632 38.000 -0.027 0.000 1.249 156 I HN 0.266 nan 8.210 nan 0.000 0.433 157 E N 2.248 122.465 120.200 0.030 0.000 2.195 157 E HA 0.551 4.900 4.350 -0.001 0.000 0.271 157 E C -1.119 175.466 176.600 -0.025 0.000 0.923 157 E CA -0.777 55.615 56.400 -0.013 0.000 0.790 157 E CB 2.272 31.992 29.700 0.033 0.000 1.155 157 E HN 0.684 nan 8.360 nan 0.000 0.402 158 T N 3.143 117.671 114.554 -0.043 0.000 3.172 158 T HA 0.352 4.702 4.350 -0.001 0.000 0.320 158 T C -2.815 171.893 174.700 0.014 0.000 1.085 158 T CA -1.944 60.146 62.100 -0.015 0.000 1.052 158 T CB 1.210 70.074 68.868 -0.007 0.000 1.107 158 T HN 0.098 nan 8.240 nan 0.000 0.458 159 P HA 0.208 nan 4.420 nan 0.000 0.269 159 P C -0.024 177.215 177.300 -0.102 0.000 1.215 159 P CA -0.162 62.959 63.100 0.036 0.000 0.780 159 P CB 0.252 32.036 31.700 0.140 0.000 0.898 160 T N -0.803 113.722 114.554 -0.048 0.000 2.918 160 T HA 0.142 4.491 4.350 -0.001 0.000 0.302 160 T C 0.251 174.825 174.700 -0.209 0.000 1.045 160 T CA -0.542 61.501 62.100 -0.096 0.000 1.114 160 T CB 0.006 68.888 68.868 0.024 0.000 0.965 160 T HN 0.231 nan 8.240 nan 0.000 0.540 161 N N 3.350 121.908 118.700 -0.237 0.000 2.457 161 N HA 0.366 5.105 4.740 -0.001 0.000 0.250 161 N C -1.969 173.591 175.510 0.084 0.000 0.982 161 N CA -2.611 50.379 53.050 -0.100 0.000 0.941 161 N CB 1.647 40.102 38.487 -0.053 0.000 1.120 161 N HN 0.422 nan 8.380 nan 0.000 0.505 162 P HA 0.146 nan 4.420 nan 0.000 0.282 162 P C 0.611 177.942 177.300 0.051 0.000 1.327 162 P CA 0.256 63.366 63.100 0.016 0.000 0.949 162 P CB 0.305 31.912 31.700 -0.155 0.000 1.445 163 T N -4.012 110.557 114.554 0.026 0.000 3.100 163 T HA 0.030 4.380 4.350 -0.001 0.000 0.253 163 T C 0.925 175.710 174.700 0.140 0.000 1.118 163 T CA 0.155 62.296 62.100 0.068 0.000 1.058 163 T CB -0.925 67.980 68.868 0.062 0.000 0.953 163 T HN 0.073 nan 8.240 nan 0.000 0.515 164 Q N 0.364 120.256 119.800 0.154 0.000 2.478 164 Q HA -0.137 4.202 4.340 -0.001 0.000 0.286 164 Q C -0.699 175.466 176.000 0.275 0.000 1.299 164 Q CA 0.418 56.358 55.803 0.227 0.000 0.826 164 Q CB -1.549 27.384 28.738 0.324 0.000 1.199 164 Q HN 0.638 nan 8.270 nan 0.000 0.451 165 K N 0.278 120.780 120.400 0.171 0.000 2.237 165 K HA 0.428 4.747 4.320 -0.001 0.000 0.270 165 K C -0.004 176.686 176.600 0.150 0.000 1.015 165 K CA -0.175 56.209 56.287 0.162 0.000 0.949 165 K CB 1.154 33.713 32.500 0.098 0.000 0.976 165 K HN -0.039 nan 8.250 nan 0.000 0.472 166 V N 4.544 124.561 119.914 0.171 0.000 2.459 166 V HA 0.337 4.456 4.120 -0.001 0.000 0.295 166 V C -0.520 175.613 176.094 0.065 0.000 1.029 166 V CA -0.906 61.453 62.300 0.099 0.000 0.874 166 V CB 1.368 33.242 31.823 0.085 0.000 0.985 166 V HN 0.517 nan 8.190 nan 0.000 0.438 167 I N 3.314 123.903 120.570 0.032 0.000 2.412 167 I HA 0.340 4.509 4.170 -0.001 0.000 0.296 167 I C 0.213 176.329 176.117 -0.001 0.000 0.987 167 I CA -0.374 60.936 61.300 0.016 0.000 1.180 167 I CB 1.423 39.427 38.000 0.006 0.000 1.340 167 I HN 0.509 nan 8.210 nan 0.000 0.455 168 D N 6.027 126.425 120.400 -0.003 0.000 2.367 168 D HA 0.107 4.747 4.640 -0.001 0.000 0.255 168 D C 1.104 177.383 176.300 -0.035 0.000 1.300 168 D CA 0.445 54.437 54.000 -0.014 0.000 0.959 168 D CB 0.518 41.316 40.800 -0.004 0.000 1.064 168 D HN 0.434 nan 8.370 nan 0.000 0.509 169 I N 2.744 123.287 120.570 -0.045 0.000 2.202 169 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 169 I C 2.297 178.346 176.117 -0.113 0.000 1.091 169 I CA 0.796 62.053 61.300 -0.072 0.000 1.368 169 I CB -0.059 37.904 38.000 -0.063 0.000 1.058 169 I HN 0.445 nan 8.210 nan 0.000 0.410 170 E N 0.966 121.098 120.200 -0.114 0.000 2.085 170 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 170 E C 2.281 178.721 176.600 -0.266 0.000 0.994 170 E CA 1.456 57.726 56.400 -0.216 0.000 0.801 170 E CB -0.268 29.354 29.700 -0.130 0.000 0.743 170 E HN 0.501 nan 8.360 nan 0.000 0.453 171 G N 0.188 108.945 108.800 -0.073 0.000 2.440 171 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 171 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 171 G C 1.720 176.606 174.900 -0.024 0.000 1.154 171 G CA 0.974 46.086 45.100 0.020 0.000 0.767 171 G HN 0.401 nan 8.290 nan 0.000 0.552 172 C N 0.795 120.053 119.300 -0.071 0.000 2.440 172 C HA 0.205 4.665 4.460 -0.001 0.000 0.278 172 C C 3.532 178.423 174.990 -0.166 0.000 1.295 172 C CA 0.762 59.726 59.018 -0.090 0.000 1.738 172 C CB -0.914 26.775 27.740 -0.085 0.000 1.987 172 C HN 0.577 nan 8.230 nan 0.000 0.492 173 A N 0.005 122.683 122.820 -0.238 0.000 1.877 173 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 173 A C 1.721 179.145 177.584 -0.267 0.000 1.186 173 A CA 1.858 53.672 52.037 -0.372 0.000 0.620 173 A CB -1.090 17.735 19.000 -0.291 0.000 0.822 173 A HN 0.783 nan 8.150 nan 0.000 0.443 174 H N -0.953 118.075 119.070 -0.069 0.000 2.352 174 H HA -0.106 4.449 4.556 -0.002 0.000 0.299 174 H C 1.947 177.246 175.328 -0.049 0.000 1.097 174 H CA 1.193 57.226 56.048 -0.025 0.000 1.311 174 H CB -0.013 29.739 29.762 -0.016 0.000 1.377 174 H HN 0.346 nan 8.280 nan 0.000 0.504 175 I N 0.173 120.774 120.570 0.051 0.000 2.202 175 I HA -0.189 3.980 4.170 -0.001 0.000 0.242 175 I C 2.253 178.356 176.117 -0.024 0.000 1.091 175 I CA 0.997 62.303 61.300 0.010 0.000 1.368 175 I CB -0.727 37.275 38.000 0.003 0.000 1.058 175 I HN 0.146 nan 8.210 nan 0.000 0.410 176 V N 0.001 119.850 119.914 -0.107 0.000 2.667 176 V HA -0.205 3.914 4.120 -0.001 0.000 0.252 176 V C 1.881 177.955 176.094 -0.034 0.000 1.065 176 V CA 1.399 63.629 62.300 -0.118 0.000 1.083 176 V CB -1.021 30.665 31.823 -0.228 0.000 0.692 176 V HN 0.481 nan 8.190 nan 0.000 0.468 177 H N -1.155 117.916 119.070 0.002 0.000 2.526 177 H HA 0.106 4.662 4.556 0.000 0.000 0.274 177 H C 2.011 177.310 175.328 -0.049 0.000 0.999 177 H CA -0.063 55.981 56.048 -0.006 0.000 1.157 177 H CB 0.410 30.175 29.762 0.004 0.000 1.407 177 H HN 0.280 nan 8.280 nan 0.000 0.568 178 K N 0.184 120.585 120.400 0.002 0.000 2.057 178 K HA -0.036 4.283 4.320 -0.001 0.000 0.206 178 K C -0.122 176.161 176.600 -0.528 0.000 1.050 178 K CA 1.140 57.283 56.287 -0.240 0.000 0.935 178 K CB 0.309 32.655 32.500 -0.257 0.000 0.715 178 K HN 0.389 nan 8.250 nan 0.000 0.439 179 H N -2.738 116.370 119.070 0.063 0.000 2.949 179 H HA 0.477 5.032 4.556 -0.002 0.000 0.356 179 H C -0.004 175.355 175.328 0.052 0.000 1.212 179 H CA -0.710 55.366 56.048 0.047 0.000 1.136 179 H CB 2.011 31.791 29.762 0.031 0.000 1.869 179 H HN 0.269 nan 8.280 nan 0.000 0.556 180 G N 0.522 109.433 108.800 0.186 0.000 2.698 180 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.233 180 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.233 180 G C -0.758 174.195 174.900 0.089 0.000 1.352 180 G CA 0.183 45.350 45.100 0.111 0.000 0.879 180 G HN 0.807 nan 8.290 nan 0.000 0.567 181 D N -0.032 120.411 120.400 0.073 0.000 2.404 181 D HA 0.570 5.210 4.640 -0.001 0.000 0.267 181 D C 0.103 176.450 176.300 0.078 0.000 1.194 181 D CA -0.420 53.619 54.000 0.065 0.000 0.910 181 D CB -0.064 40.761 40.800 0.043 0.000 1.090 181 D HN 0.597 nan 8.370 nan 0.000 0.511 182 I N 3.514 124.156 120.570 0.119 0.000 2.406 182 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 182 I C 0.088 176.300 176.117 0.158 0.000 0.999 182 I CA -1.070 60.298 61.300 0.114 0.000 1.124 182 I CB 2.035 40.088 38.000 0.089 0.000 1.289 182 I HN 0.173 nan 8.210 nan 0.000 0.441 183 I N 6.333 126.973 120.570 0.117 0.000 2.371 183 I HA 0.126 4.295 4.170 -0.001 0.000 0.290 183 I C -0.353 175.822 176.117 0.096 0.000 1.028 183 I CA -0.407 60.971 61.300 0.129 0.000 1.345 183 I CB 1.092 39.160 38.000 0.113 0.000 1.407 183 I HN 0.335 nan 8.210 nan 0.000 0.501 184 L N 9.095 130.375 121.223 0.094 0.000 2.262 184 L HA 0.442 4.781 4.340 -0.001 0.000 0.288 184 L C -0.490 176.350 176.870 -0.050 0.000 1.035 184 L CA -0.204 54.625 54.840 -0.018 0.000 0.820 184 L CB 1.110 43.097 42.059 -0.121 0.000 1.204 184 L HN 0.272 nan 8.230 nan 0.000 0.424 185 V N 6.114 125.956 119.914 -0.119 0.000 2.407 185 V HA 0.430 4.549 4.120 -0.001 0.000 0.278 185 V C -0.168 175.668 176.094 -0.429 0.000 1.037 185 V CA -0.643 61.475 62.300 -0.303 0.000 0.900 185 V CB 1.665 33.164 31.823 -0.540 0.000 0.983 185 V HN 0.492 nan 8.190 nan 0.000 0.459 186 V N 3.958 123.644 119.914 -0.380 0.000 2.334 186 V HA 0.278 4.397 4.120 -0.001 0.000 0.281 186 V C 0.039 175.863 176.094 -0.450 0.000 1.016 186 V CA -0.611 61.468 62.300 -0.368 0.000 0.832 186 V CB 1.586 33.279 31.823 -0.216 0.000 0.999 186 V HN 0.884 nan 8.190 nan 0.000 0.439 187 D N 4.239 124.336 120.400 -0.504 0.000 2.348 187 D HA 0.013 4.653 4.640 -0.001 0.000 0.259 187 D C 0.601 176.777 176.300 -0.206 0.000 1.296 187 D CA 0.230 54.031 54.000 -0.332 0.000 0.931 187 D CB 0.541 41.266 40.800 -0.124 0.000 1.067 187 D HN 0.524 nan 8.370 nan 0.000 0.503 188 N N 2.242 120.754 118.700 -0.313 0.000 2.295 188 N HA 0.023 4.763 4.740 -0.001 0.000 0.221 188 N C 1.045 176.635 175.510 0.134 0.000 1.129 188 N CA -0.049 52.903 53.050 -0.163 0.000 0.836 188 N CB 0.323 38.616 38.487 -0.325 0.000 1.040 188 N HN 0.229 nan 8.380 nan 0.000 0.494 189 T N -0.146 114.528 114.554 0.200 0.000 2.653 189 T HA -0.151 4.199 4.350 -0.001 0.000 0.268 189 T C 1.187 176.247 174.700 0.601 0.000 1.035 189 T CA 1.265 63.632 62.100 0.444 0.000 1.154 189 T CB -0.319 68.754 68.868 0.341 0.000 0.862 189 T HN 0.215 nan 8.240 nan 0.000 0.441 190 F N 0.662 120.774 119.950 0.271 0.000 2.146 190 F HA 0.058 4.584 4.527 -0.001 0.000 0.298 190 F C 2.316 178.241 175.800 0.209 0.000 1.096 190 F CA 0.638 58.827 58.000 0.315 0.000 1.275 190 F CB -0.485 38.641 39.000 0.209 0.000 1.008 190 F HN 0.106 nan 8.300 nan 0.000 0.480 191 M N -0.513 119.301 119.600 0.357 0.000 2.248 191 M HA 0.066 4.545 4.480 -0.001 0.000 0.265 191 M C 0.832 177.273 176.300 0.234 0.000 1.079 191 M CA 1.177 56.618 55.300 0.236 0.000 1.150 191 M CB -1.378 31.354 32.600 0.220 0.000 1.366 191 M HN 0.222 nan 8.290 nan 0.000 0.433 192 S N 0.180 116.080 115.700 0.333 0.000 3.493 192 S HA -0.062 4.407 4.470 -0.001 0.000 0.825 192 S C -2.159 172.654 174.600 0.355 0.000 1.181 192 S CA -0.002 58.399 58.200 0.335 0.000 1.045 192 S CB -1.672 61.609 63.200 0.136 0.000 0.630 192 S HN 0.260 nan 8.310 nan 0.000 0.345 193 P HA 0.010 nan 4.420 nan 0.000 0.237 193 P C 1.196 178.741 177.300 0.408 0.000 1.178 193 P CA 1.193 64.537 63.100 0.406 0.000 0.766 193 P CB -0.266 31.681 31.700 0.410 0.000 0.876 194 Y N -0.128 120.140 120.300 -0.053 0.000 2.242 194 Y HA -0.047 4.503 4.550 -0.001 0.000 0.291 194 Y C 1.801 177.517 175.900 -0.307 0.000 1.137 194 Y CA 1.530 59.222 58.100 -0.679 0.000 1.181 194 Y CB -0.582 37.267 38.460 -1.020 0.000 0.989 194 Y HN -0.189 nan 8.280 nan 0.000 0.527 195 F N -1.028 118.948 119.950 0.043 0.000 2.694 195 F HA 0.204 4.731 4.527 -0.001 0.000 0.292 195 F C 0.623 176.454 175.800 0.051 0.000 1.121 195 F CA 0.010 57.950 58.000 -0.101 0.000 1.352 195 F CB 0.573 39.485 39.000 -0.148 0.000 1.107 195 F HN -0.145 nan 8.300 nan 0.000 0.597 196 Q N 0.538 120.568 119.800 0.383 0.000 2.281 196 Q HA 0.362 4.701 4.340 -0.001 0.000 0.263 196 Q C -1.066 175.085 176.000 0.251 0.000 0.989 196 Q CA -0.617 55.372 55.803 0.309 0.000 0.852 196 Q CB 1.714 30.565 28.738 0.189 0.000 1.337 196 Q HN 0.104 nan 8.270 nan 0.000 0.418 197 R N 4.786 125.384 120.500 0.163 0.000 2.396 197 R HA 0.261 4.601 4.340 -0.001 0.000 0.292 197 R C -2.021 174.274 176.300 -0.007 0.000 1.240 197 R CA -1.796 54.295 56.100 -0.015 0.000 1.270 197 R CB 1.005 31.118 30.300 -0.312 0.000 1.108 197 R HN 0.470 nan 8.270 nan 0.000 0.573 198 P HA -0.191 nan 4.420 nan 0.000 0.217 198 P C 0.926 178.205 177.300 -0.035 0.000 1.148 198 P CA 1.188 64.269 63.100 -0.031 0.000 0.828 198 P CB 0.278 31.937 31.700 -0.068 0.000 0.783 199 L N -1.178 120.027 121.223 -0.031 0.000 2.083 199 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 199 L C 2.429 179.282 176.870 -0.029 0.000 1.083 199 L CA 1.475 56.301 54.840 -0.023 0.000 0.752 199 L CB -1.138 40.910 42.059 -0.019 0.000 0.899 199 L HN -0.036 nan 8.230 nan 0.000 0.433 200 A N -0.112 122.681 122.820 -0.045 0.000 2.015 200 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 200 A C 2.015 179.590 177.584 -0.016 0.000 1.163 200 A CA 1.152 53.166 52.037 -0.037 0.000 0.646 200 A CB -0.433 18.532 19.000 -0.059 0.000 0.806 200 A HN 0.425 nan 8.150 nan 0.000 0.448 201 L N -1.646 119.563 121.223 -0.022 0.000 2.628 201 L HA 0.322 4.662 4.340 -0.001 0.000 0.229 201 L C 1.493 178.319 176.870 -0.073 0.000 1.137 201 L CA 0.559 55.376 54.840 -0.038 0.000 0.909 201 L CB 0.214 42.252 42.059 -0.034 0.000 1.137 201 L HN 0.510 nan 8.230 nan 0.000 0.470 202 G N -0.407 108.369 108.800 -0.039 0.000 2.184 202 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.206 202 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.206 202 G C 0.411 175.344 174.900 0.055 0.000 0.995 202 G CA -0.189 44.906 45.100 -0.007 0.000 0.651 202 G HN 0.432 nan 8.290 nan 0.000 0.511 203 A N 0.214 123.035 122.820 0.000 0.000 2.425 203 A HA 0.544 4.864 4.320 -0.001 0.000 0.242 203 A C 1.144 178.764 177.584 0.060 0.000 1.077 203 A CA 0.881 52.920 52.037 0.005 0.000 0.781 203 A CB 0.321 19.287 19.000 -0.056 0.000 1.020 203 A HN 0.179 nan 8.150 nan 0.000 0.494 204 D N -0.042 120.408 120.400 0.083 0.000 2.301 204 D HA 0.161 4.800 4.640 -0.001 0.000 0.206 204 D C 0.001 176.332 176.300 0.052 0.000 0.979 204 D CA 1.240 55.289 54.000 0.083 0.000 0.874 204 D CB 0.280 41.152 40.800 0.121 0.000 0.968 204 D HN 0.477 nan 8.370 nan 0.000 0.510 205 I N 0.229 120.806 120.570 0.012 0.000 2.534 205 I HA 0.074 4.243 4.170 -0.001 0.000 0.288 205 I C -0.702 175.363 176.117 -0.086 0.000 1.077 205 I CA -0.483 60.813 61.300 -0.006 0.000 1.051 205 I CB 2.627 40.627 38.000 0.000 0.000 1.234 205 I HN -0.297 nan 8.210 nan 0.000 0.425 206 S N 7.781 123.441 115.700 -0.068 0.000 2.420 206 S HA 0.561 5.030 4.470 -0.001 0.000 0.313 206 S C -0.479 173.987 174.600 -0.222 0.000 1.079 206 S CA -0.572 57.531 58.200 -0.162 0.000 1.104 206 S CB 0.526 63.685 63.200 -0.068 0.000 0.969 206 S HN 0.544 nan 8.310 nan 0.000 0.471 207 M N 5.473 124.833 119.600 -0.400 0.000 2.578 207 M HA 0.550 5.029 4.480 -0.001 0.000 0.321 207 M C -2.193 173.789 176.300 -0.530 0.000 1.182 207 M CA -0.469 54.665 55.300 -0.277 0.000 0.965 207 M CB 1.514 34.005 32.600 -0.182 0.000 1.694 207 M HN 0.715 nan 8.290 nan 0.000 0.461 208 Y N 0.154 120.526 120.300 0.120 0.000 2.492 208 Y HA 0.333 4.882 4.550 -0.001 0.000 0.346 208 Y C 0.114 176.094 175.900 0.132 0.000 0.997 208 Y CA -0.746 57.432 58.100 0.131 0.000 1.025 208 Y CB 1.958 40.499 38.460 0.134 0.000 1.263 208 Y HN 0.684 nan 8.280 nan 0.000 0.454 209 S N 1.682 117.538 115.700 0.260 0.000 2.494 209 S HA 0.401 4.871 4.470 -0.001 0.000 0.312 209 S C 1.018 175.729 174.600 0.186 0.000 1.121 209 S CA 0.047 58.344 58.200 0.163 0.000 1.068 209 S CB -0.000 63.225 63.200 0.041 0.000 1.141 209 S HN 0.856 nan 8.310 nan 0.000 0.527 210 A N 4.454 127.379 122.820 0.176 0.000 2.125 210 A HA -0.010 4.309 4.320 -0.001 0.000 0.219 210 A C 2.080 179.699 177.584 0.059 0.000 1.156 210 A CA 1.791 53.895 52.037 0.112 0.000 0.671 210 A CB -1.075 17.977 19.000 0.088 0.000 0.794 210 A HN 0.793 nan 8.150 nan 0.000 0.459 211 T N 0.267 114.846 114.554 0.041 0.000 2.869 211 T HA -0.133 4.216 4.350 -0.001 0.000 0.270 211 T C 1.500 176.169 174.700 -0.051 0.000 1.082 211 T CA 1.560 63.657 62.100 -0.005 0.000 1.123 211 T CB -0.082 68.777 68.868 -0.015 0.000 0.856 211 T HN 0.453 nan 8.240 nan 0.000 0.499 212 K N 0.439 120.813 120.400 -0.043 0.000 4.047 212 K HA 0.274 4.593 4.320 -0.001 0.000 0.172 212 K C 1.692 178.209 176.600 -0.138 0.000 1.146 212 K CA 0.170 56.368 56.287 -0.148 0.000 1.760 212 K CB -1.069 31.363 32.500 -0.114 0.000 2.442 212 K HN 0.210 nan 8.250 nan 0.000 0.539 213 Y N 1.161 121.450 120.300 -0.018 0.000 2.242 213 Y HA -0.120 4.429 4.550 -0.001 0.000 0.291 213 Y C 2.504 178.406 175.900 0.004 0.000 1.137 213 Y CA 0.870 58.954 58.100 -0.027 0.000 1.181 213 Y CB -0.099 38.355 38.460 -0.010 0.000 0.989 213 Y HN 0.075 nan 8.280 nan 0.000 0.527 214 M N -0.190 119.499 119.600 0.150 0.000 2.065 214 M HA -0.248 4.231 4.480 -0.001 0.000 0.259 214 M C 1.968 178.307 176.300 0.064 0.000 1.069 214 M CA 1.723 57.050 55.300 0.046 0.000 1.110 214 M CB -1.363 31.192 32.600 -0.074 0.000 1.328 214 M HN 0.304 nan 8.290 nan 0.000 0.405 215 N N -0.419 118.317 118.700 0.060 0.000 2.109 215 N HA -0.066 4.673 4.740 -0.001 0.000 0.188 215 N C 1.258 176.885 175.510 0.196 0.000 1.034 215 N CA 2.381 55.486 53.050 0.091 0.000 0.846 215 N CB -0.201 38.317 38.487 0.051 0.000 1.010 215 N HN 0.488 nan 8.380 nan 0.000 0.425 216 G N -1.488 107.352 108.800 0.067 0.000 2.184 216 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.264 216 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.264 216 G C 0.196 174.903 174.900 -0.321 0.000 0.975 216 G CA 0.972 46.038 45.100 -0.056 0.000 0.642 216 G HN 0.639 nan 8.290 nan 0.000 0.536 217 H N -0.480 118.508 119.070 -0.137 0.000 2.662 217 H HA 0.472 5.027 4.556 -0.001 0.000 0.268 217 H C 1.546 176.695 175.328 -0.298 0.000 1.152 217 H CA 0.398 56.350 56.048 -0.160 0.000 1.072 217 H CB 0.621 30.492 29.762 0.182 0.000 1.660 217 H HN 0.378 nan 8.280 nan 0.000 0.584 218 S N 1.083 116.627 115.700 -0.260 0.000 3.521 218 S HA -0.199 4.270 4.470 -0.001 0.000 0.328 218 S C 0.395 174.958 174.600 -0.061 0.000 1.165 218 S CA 1.290 59.359 58.200 -0.218 0.000 0.941 218 S CB -1.097 61.882 63.200 -0.368 0.000 0.951 218 S HN 0.868 nan 8.310 nan 0.000 0.539 219 D N -1.446 118.954 120.400 -0.000 0.000 2.602 219 D HA 0.374 5.014 4.640 -0.001 0.000 0.265 219 D C -0.263 176.052 176.300 0.025 0.000 1.454 219 D CA -0.109 53.910 54.000 0.031 0.000 0.795 219 D CB -0.036 40.809 40.800 0.075 0.000 1.140 219 D HN 0.286 nan 8.370 nan 0.000 0.486 220 V N 0.681 120.603 119.914 0.013 0.000 2.668 220 V HA 0.389 4.508 4.120 -0.001 0.000 0.304 220 V C -0.401 175.701 176.094 0.013 0.000 1.071 220 V CA -0.956 61.354 62.300 0.016 0.000 0.894 220 V CB 2.397 34.228 31.823 0.013 0.000 1.008 220 V HN -0.005 nan 8.190 nan 0.000 0.425 221 V N 5.965 125.892 119.914 0.021 0.000 2.383 221 V HA 0.682 4.802 4.120 -0.001 0.000 0.275 221 V C -0.072 176.048 176.094 0.043 0.000 1.036 221 V CA -0.125 62.190 62.300 0.026 0.000 0.889 221 V CB 1.242 33.080 31.823 0.025 0.000 0.985 221 V HN 0.908 nan 8.190 nan 0.000 0.459 222 M N 3.780 123.415 119.600 0.059 0.000 2.490 222 M HA 0.661 5.140 4.480 -0.001 0.000 0.286 222 M C -0.650 175.728 176.300 0.130 0.000 1.185 222 M CA -0.325 55.029 55.300 0.089 0.000 0.912 222 M CB 2.333 34.975 32.600 0.071 0.000 1.744 222 M HN 0.750 nan 8.290 nan 0.000 0.494 223 G N 3.091 112.010 108.800 0.198 0.000 2.432 223 G HA2 0.808 4.767 3.960 -0.001 0.000 0.331 223 G HA3 0.808 4.767 3.960 -0.001 0.000 0.331 223 G C -1.910 173.200 174.900 0.349 0.000 1.170 223 G CA -0.631 44.635 45.100 0.278 0.000 0.943 223 G HN 0.684 nan 8.290 nan 0.000 0.483 224 L N 0.566 122.017 121.223 0.381 0.000 2.422 224 L HA 0.601 4.940 4.340 -0.001 0.000 0.264 224 L C -0.893 176.233 176.870 0.426 0.000 0.984 224 L CA -1.073 53.995 54.840 0.380 0.000 0.819 224 L CB 2.803 45.044 42.059 0.303 0.000 1.330 224 L HN 0.264 nan 8.230 nan 0.000 0.410 225 V N 1.206 121.360 119.914 0.400 0.000 2.488 225 V HA 0.370 4.490 4.120 -0.001 0.000 0.293 225 V C -0.415 175.841 176.094 0.270 0.000 1.027 225 V CA -0.398 62.104 62.300 0.336 0.000 0.862 225 V CB 1.775 33.860 31.823 0.436 0.000 1.008 225 V HN 0.769 nan 8.190 nan 0.000 0.428 226 S N 3.300 119.130 115.700 0.216 0.000 2.489 226 S HA 0.803 5.273 4.470 -0.001 0.000 0.291 226 S C -0.524 174.161 174.600 0.141 0.000 1.151 226 S CA -0.495 57.811 58.200 0.177 0.000 1.082 226 S CB 1.913 65.216 63.200 0.172 0.000 1.019 226 S HN 0.622 nan 8.310 nan 0.000 0.492 227 V N 3.218 123.223 119.914 0.152 0.000 3.012 227 V HA 0.473 4.592 4.120 -0.001 0.000 0.307 227 V C -0.759 175.427 176.094 0.155 0.000 1.166 227 V CA -0.619 61.777 62.300 0.160 0.000 0.974 227 V CB 2.412 34.366 31.823 0.218 0.000 1.040 227 V HN 0.876 nan 8.190 nan 0.000 0.428 228 N N 1.576 120.348 118.700 0.119 0.000 2.545 228 N HA 0.116 4.855 4.740 -0.001 0.000 0.190 228 N C 0.584 176.188 175.510 0.157 0.000 1.043 228 N CA 0.784 53.880 53.050 0.077 0.000 0.879 228 N CB 0.273 38.769 38.487 0.014 0.000 1.210 228 N HN 0.673 nan 8.380 nan 0.000 0.437 229 C N 2.464 121.848 119.300 0.140 0.000 2.648 229 C HA 0.091 4.551 4.460 -0.001 0.000 0.419 229 C C 2.147 177.247 174.990 0.183 0.000 1.352 229 C CA -0.143 58.951 59.018 0.127 0.000 1.816 229 C CB 0.232 28.018 27.740 0.076 0.000 2.598 229 C HN 0.417 nan 8.230 nan 0.000 0.598 230 E N 2.107 122.405 120.200 0.164 0.000 2.046 230 E HA -0.114 4.235 4.350 -0.001 0.000 0.190 230 E C 2.239 178.900 176.600 0.101 0.000 0.982 230 E CA 2.171 58.677 56.400 0.177 0.000 0.800 230 E CB 0.070 29.856 29.700 0.143 0.000 0.756 230 E HN 0.918 nan 8.360 nan 0.000 0.449 231 S N -0.352 115.389 115.700 0.068 0.000 2.436 231 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 231 S C 1.934 176.557 174.600 0.039 0.000 1.014 231 S CA 0.642 58.862 58.200 0.033 0.000 0.950 231 S CB -0.296 62.916 63.200 0.020 0.000 0.784 231 S HN 0.250 nan 8.310 nan 0.000 0.504 232 L N 2.221 123.487 121.223 0.072 0.000 2.056 232 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 232 L C 2.536 179.471 176.870 0.110 0.000 1.078 232 L CA 2.063 56.957 54.840 0.090 0.000 0.749 232 L CB -1.173 40.949 42.059 0.105 0.000 0.901 232 L HN 0.562 nan 8.230 nan 0.000 0.433 233 H N -0.719 118.349 119.070 -0.003 0.000 2.319 233 H HA -0.172 4.383 4.556 -0.002 0.000 0.299 233 H C 1.749 177.019 175.328 -0.097 0.000 1.092 233 H CA 1.781 57.770 56.048 -0.097 0.000 1.302 233 H CB 0.277 29.811 29.762 -0.379 0.000 1.373 233 H HN 0.406 nan 8.280 nan 0.000 0.497 234 N N 0.894 119.458 118.700 -0.226 0.000 2.104 234 N HA -0.130 4.609 4.740 -0.001 0.000 0.190 234 N C 2.205 177.663 175.510 -0.087 0.000 1.024 234 N CA 0.982 53.900 53.050 -0.220 0.000 0.853 234 N CB -0.441 37.982 38.487 -0.107 0.000 1.008 234 N HN 0.433 nan 8.380 nan 0.000 0.424 235 R N 0.503 120.989 120.500 -0.024 0.000 2.081 235 R HA 0.028 4.367 4.340 -0.001 0.000 0.235 235 R C 2.320 178.696 176.300 0.127 0.000 1.131 235 R CA 0.778 56.908 56.100 0.049 0.000 0.960 235 R CB -0.325 30.003 30.300 0.047 0.000 0.856 235 R HN 0.199 nan 8.270 nan 0.000 0.436 236 L N -0.349 120.927 121.223 0.089 0.000 2.072 236 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 236 L C 2.592 179.531 176.870 0.115 0.000 1.079 236 L CA 1.073 56.000 54.840 0.144 0.000 0.752 236 L CB -0.226 41.946 42.059 0.187 0.000 0.906 236 L HN 0.040 nan 8.230 nan 0.000 0.436 237 R N -0.272 120.199 120.500 -0.048 0.000 2.105 237 R HA -0.226 4.114 4.340 -0.001 0.000 0.239 237 R C 2.154 178.455 176.300 0.001 0.000 1.135 237 R CA 1.608 57.643 56.100 -0.108 0.000 0.967 237 R CB -0.533 29.553 30.300 -0.356 0.000 0.861 237 R HN 0.243 nan 8.270 nan 0.000 0.442 238 F N 0.197 120.098 119.950 -0.081 0.000 2.134 238 F HA -0.110 4.419 4.527 0.003 0.000 0.299 238 F C 1.518 177.315 175.800 -0.004 0.000 1.097 238 F CA 1.484 59.459 58.000 -0.042 0.000 1.264 238 F CB -0.120 38.858 39.000 -0.036 0.000 1.001 238 F HN -0.016 nan 8.300 nan 0.000 0.479 239 L N -0.143 121.123 121.223 0.071 0.000 2.109 239 L HA -0.186 4.154 4.340 -0.001 0.000 0.207 239 L C 2.590 179.461 176.870 0.002 0.000 1.086 239 L CA 1.352 56.189 54.840 -0.005 0.000 0.760 239 L CB -0.897 41.232 42.059 0.118 0.000 0.910 239 L HN 0.246 nan 8.230 nan 0.000 0.437 240 Q N 0.337 120.205 119.800 0.114 0.000 2.077 240 Q HA -0.263 4.077 4.340 -0.001 0.000 0.206 240 Q C 2.081 178.063 176.000 -0.029 0.000 0.989 240 Q CA 1.826 57.708 55.803 0.132 0.000 0.853 240 Q CB 0.007 28.750 28.738 0.008 0.000 0.907 240 Q HN 0.484 nan 8.270 nan 0.000 0.418 241 N N -0.609 118.020 118.700 -0.119 0.000 2.080 241 N HA -0.085 4.654 4.740 -0.001 0.000 0.189 241 N C 1.815 177.190 175.510 -0.225 0.000 1.036 241 N CA 1.665 54.611 53.050 -0.174 0.000 0.846 241 N CB -0.122 38.230 38.487 -0.225 0.000 1.015 241 N HN 0.133 nan 8.380 nan 0.000 0.423 242 S N 0.662 116.143 115.700 -0.365 0.000 2.406 242 S HA 0.150 4.620 4.470 -0.001 0.000 0.224 242 S C 2.020 176.487 174.600 -0.222 0.000 1.030 242 S CA 0.368 58.340 58.200 -0.381 0.000 0.958 242 S CB 0.174 62.978 63.200 -0.661 0.000 0.811 242 S HN 0.241 nan 8.310 nan 0.000 0.489 243 L N 0.536 121.646 121.223 -0.188 0.000 2.446 243 L HA 0.253 4.592 4.340 -0.001 0.000 0.219 243 L C 1.659 178.470 176.870 -0.099 0.000 1.116 243 L CA 0.404 55.146 54.840 -0.163 0.000 0.844 243 L CB -0.646 41.275 42.059 -0.229 0.000 0.970 243 L HN 0.461 nan 8.230 nan 0.000 0.457 244 G N 0.959 109.719 108.800 -0.066 0.000 2.198 244 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.260 244 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.260 244 G C 0.455 175.355 174.900 0.001 0.000 1.025 244 G CA 0.268 45.348 45.100 -0.034 0.000 0.769 244 G HN 0.486 nan 8.290 nan 0.000 0.507 245 A N -0.190 122.658 122.820 0.047 0.000 3.202 245 A HA 0.643 4.963 4.320 -0.001 0.000 0.258 245 A C 0.869 178.550 177.584 0.162 0.000 1.572 245 A CA 0.414 52.503 52.037 0.087 0.000 1.241 245 A CB -0.260 18.780 19.000 0.068 0.000 1.127 245 A HN 1.826 nan 8.150 nan 0.000 0.648 246 V N -1.656 118.298 119.914 0.067 0.000 2.732 246 V HA 0.769 4.888 4.120 -0.001 0.000 0.310 246 V C -2.561 173.544 176.094 0.018 0.000 1.053 246 V CA -2.361 59.947 62.300 0.013 0.000 0.957 246 V CB 1.552 33.357 31.823 -0.029 0.000 1.018 246 V HN 0.406 nan 8.190 nan 0.000 0.452 247 P HA 0.253 nan 4.420 nan 0.000 0.281 247 P C -0.091 177.218 177.300 0.014 0.000 1.249 247 P CA -0.146 62.964 63.100 0.017 0.000 0.810 247 P CB 1.467 33.175 31.700 0.013 0.000 1.008 248 S N 2.170 117.883 115.700 0.022 0.000 2.549 248 S HA 0.085 4.554 4.470 -0.001 0.000 0.286 248 S C -1.342 173.276 174.600 0.030 0.000 1.314 248 S CA -0.942 57.272 58.200 0.023 0.000 1.062 248 S CB -0.347 62.868 63.200 0.026 0.000 0.865 248 S HN 0.265 nan 8.310 nan 0.000 0.498 249 P HA -0.119 nan 4.420 nan 0.000 0.218 249 P C 1.510 178.845 177.300 0.060 0.000 1.148 249 P CA 0.499 63.622 63.100 0.039 0.000 0.822 249 P CB 0.041 31.758 31.700 0.029 0.000 0.784 250 I N 0.135 120.737 120.570 0.054 0.000 2.315 250 I HA -0.190 3.980 4.170 -0.001 0.000 0.248 250 I C 1.045 177.256 176.117 0.155 0.000 1.117 250 I CA 1.999 63.358 61.300 0.098 0.000 1.404 250 I CB -0.951 37.077 38.000 0.046 0.000 1.071 250 I HN -0.102 nan 8.210 nan 0.000 0.419 251 D N 0.299 120.751 120.400 0.086 0.000 2.144 251 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 251 D C 2.391 178.715 176.300 0.039 0.000 0.984 251 D CA 1.122 55.156 54.000 0.058 0.000 0.834 251 D CB -0.401 40.422 40.800 0.039 0.000 0.955 251 D HN 0.349 nan 8.370 nan 0.000 0.465 252 C N 0.466 119.796 119.300 0.050 0.000 2.413 252 C HA -0.188 4.271 4.460 -0.001 0.000 0.276 252 C C 2.532 177.545 174.990 0.039 0.000 1.236 252 C CA 0.532 59.572 59.018 0.037 0.000 1.735 252 C CB -1.288 26.477 27.740 0.042 0.000 2.031 252 C HN 0.455 nan 8.230 nan 0.000 0.474 253 Y N 1.472 121.758 120.300 -0.023 0.000 2.128 253 Y HA -0.210 4.339 4.550 -0.001 0.000 0.284 253 Y C 2.186 178.064 175.900 -0.036 0.000 1.154 253 Y CA 1.668 59.746 58.100 -0.036 0.000 1.149 253 Y CB -0.577 37.851 38.460 -0.053 0.000 0.976 253 Y HN 0.235 nan 8.280 nan 0.000 0.505 254 L N -0.651 120.342 121.223 -0.382 0.000 2.046 254 L HA -0.244 4.095 4.340 -0.001 0.000 0.208 254 L C 2.913 179.591 176.870 -0.320 0.000 1.077 254 L CA 1.379 55.925 54.840 -0.490 0.000 0.747 254 L CB -0.867 41.103 42.059 -0.149 0.000 0.896 254 L HN 0.516 nan 8.230 nan 0.000 0.432 255 C N 0.140 119.343 119.300 -0.162 0.000 2.429 255 C HA -0.183 4.277 4.460 -0.001 0.000 0.277 255 C C 2.584 177.509 174.990 -0.108 0.000 1.262 255 C CA 1.492 60.456 59.018 -0.091 0.000 1.733 255 C CB -1.094 26.625 27.740 -0.036 0.000 2.010 255 C HN 0.591 nan 8.230 nan 0.000 0.483 256 N N -0.467 118.158 118.700 -0.125 0.000 2.223 256 N HA -0.174 4.565 4.740 -0.001 0.000 0.185 256 N C 2.199 177.623 175.510 -0.143 0.000 1.016 256 N CA 0.799 53.788 53.050 -0.101 0.000 0.863 256 N CB -0.284 38.170 38.487 -0.055 0.000 0.983 256 N HN 0.537 nan 8.380 nan 0.000 0.429 257 R N 0.154 120.489 120.500 -0.274 0.000 2.075 257 R HA -0.070 4.269 4.340 -0.001 0.000 0.232 257 R C 2.200 178.380 176.300 -0.200 0.000 1.126 257 R CA 1.507 57.431 56.100 -0.293 0.000 0.963 257 R CB -0.505 29.465 30.300 -0.549 0.000 0.858 257 R HN 0.240 nan 8.270 nan 0.000 0.435 258 G N 1.377 110.062 108.800 -0.190 0.000 2.442 258 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 258 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 258 G C 1.269 176.215 174.900 0.077 0.000 1.141 258 G CA 0.316 45.403 45.100 -0.021 0.000 0.763 258 G HN 0.186 nan 8.290 nan 0.000 0.554 259 L N 0.570 121.802 121.223 0.015 0.000 2.127 259 L HA 0.006 4.345 4.340 -0.001 0.000 0.211 259 L C 2.592 179.496 176.870 0.057 0.000 1.089 259 L CA 1.447 56.305 54.840 0.030 0.000 0.757 259 L CB -0.633 41.411 42.059 -0.024 0.000 0.899 259 L HN 0.261 nan 8.230 nan 0.000 0.434 260 K N -1.241 119.178 120.400 0.031 0.000 2.439 260 K HA -0.016 4.303 4.320 -0.001 0.000 0.197 260 K C 1.277 177.972 176.600 0.158 0.000 1.041 260 K CA 1.205 57.523 56.287 0.052 0.000 0.970 260 K CB -0.023 32.471 32.500 -0.009 0.000 0.773 260 K HN 0.468 nan 8.250 nan 0.000 0.479 261 T N -1.991 112.649 114.554 0.144 0.000 3.129 261 T HA 0.111 4.461 4.350 -0.001 0.000 0.267 261 T C 1.365 176.112 174.700 0.078 0.000 1.018 261 T CA -0.379 61.783 62.100 0.104 0.000 0.903 261 T CB 0.106 69.026 68.868 0.087 0.000 1.067 261 T HN -0.051 nan 8.240 nan 0.000 0.549 262 L N 3.093 124.415 121.223 0.165 0.000 2.012 262 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 262 L C 2.738 179.525 176.870 -0.139 0.000 1.073 262 L CA 2.193 57.083 54.840 0.083 0.000 0.748 262 L CB -0.794 41.367 42.059 0.171 0.000 0.891 262 L HN 0.599 nan 8.230 nan 0.000 0.431 263 H N -0.549 118.326 119.070 -0.324 0.000 2.290 263 H HA -0.121 4.435 4.556 -0.001 0.000 0.298 263 H C 2.141 177.111 175.328 -0.596 0.000 1.087 263 H CA 2.360 57.920 56.048 -0.814 0.000 1.291 263 H CB -1.759 27.767 29.762 -0.394 0.000 1.369 263 H HN 0.359 nan 8.280 nan 0.000 0.492 264 V N 0.009 119.464 119.914 -0.766 0.000 2.515 264 V HA -0.109 4.011 4.120 -0.001 0.000 0.250 264 V C 2.661 178.584 176.094 -0.285 0.000 1.058 264 V CA 1.534 63.529 62.300 -0.509 0.000 1.064 264 V CB -0.642 30.871 31.823 -0.517 0.000 0.675 264 V HN 0.168 nan 8.190 nan 0.000 0.461 265 R N -0.625 119.744 120.500 -0.219 0.000 2.062 265 R HA -0.008 4.331 4.340 -0.001 0.000 0.231 265 R C 2.460 178.731 176.300 -0.048 0.000 1.136 265 R CA 1.889 57.910 56.100 -0.132 0.000 0.948 265 R CB -0.479 29.823 30.300 0.004 0.000 0.845 265 R HN 0.383 nan 8.270 nan 0.000 0.430 266 M N 0.902 120.469 119.600 -0.056 0.000 2.117 266 M HA -0.126 4.354 4.480 -0.001 0.000 0.262 266 M C 1.935 178.385 176.300 0.251 0.000 1.065 266 M CA 1.523 56.857 55.300 0.056 0.000 1.114 266 M CB -0.798 31.569 32.600 -0.388 0.000 1.361 266 M HN 0.062 nan 8.290 nan 0.000 0.408 267 E N 0.163 120.403 120.200 0.067 0.000 2.110 267 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 267 E C 2.031 178.744 176.600 0.189 0.000 0.988 267 E CA 1.162 57.713 56.400 0.252 0.000 0.804 267 E CB -0.271 29.474 29.700 0.075 0.000 0.745 267 E HN 0.326 nan 8.360 nan 0.000 0.458 268 K N 0.432 120.855 120.400 0.038 0.000 2.062 268 K HA -0.109 4.211 4.320 -0.001 0.000 0.205 268 K C 1.966 178.592 176.600 0.044 0.000 1.051 268 K CA 1.158 57.433 56.287 -0.020 0.000 0.941 268 K CB -0.293 32.123 32.500 -0.139 0.000 0.719 268 K HN 0.154 nan 8.250 nan 0.000 0.440 269 H N -0.554 118.612 119.070 0.160 0.000 2.353 269 H HA -0.157 4.399 4.556 -0.001 0.000 0.298 269 H C 1.863 177.361 175.328 0.283 0.000 1.103 269 H CA 1.660 57.833 56.048 0.207 0.000 1.293 269 H CB -0.386 29.511 29.762 0.225 0.000 1.372 269 H HN 0.192 nan 8.280 nan 0.000 0.501 270 F N 2.145 122.249 119.950 0.257 0.000 2.075 270 F HA -0.157 4.370 4.527 -0.001 0.000 0.297 270 F C 2.154 178.023 175.800 0.115 0.000 1.113 270 F CA 1.413 59.503 58.000 0.151 0.000 1.218 270 F CB -0.363 38.697 39.000 0.100 0.000 0.984 270 F HN -0.001 nan 8.300 nan 0.000 0.472 271 K N -0.116 120.357 120.400 0.122 0.000 2.026 271 K HA -0.192 4.127 4.320 -0.001 0.000 0.208 271 K C 1.815 178.429 176.600 0.024 0.000 1.048 271 K CA 1.638 57.901 56.287 -0.041 0.000 0.929 271 K CB -0.307 32.165 32.500 -0.047 0.000 0.713 271 K HN 0.169 nan 8.250 nan 0.000 0.439 272 N N 0.208 118.948 118.700 0.068 0.000 2.188 272 N HA -0.084 4.655 4.740 -0.001 0.000 0.184 272 N C 1.837 177.386 175.510 0.065 0.000 1.018 272 N CA 1.308 54.391 53.050 0.056 0.000 0.858 272 N CB -0.523 37.996 38.487 0.053 0.000 0.989 272 N HN 0.320 nan 8.380 nan 0.000 0.426 273 G N 0.394 109.262 108.800 0.113 0.000 2.408 273 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 273 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 273 G C 1.598 176.324 174.900 -0.290 0.000 1.150 273 G CA 0.748 45.840 45.100 -0.012 0.000 0.776 273 G HN 0.213 nan 8.290 nan 0.000 0.542 274 M N 1.516 121.093 119.600 -0.038 0.000 2.099 274 M HA 0.260 4.739 4.480 -0.001 0.000 0.262 274 M C 2.679 178.960 176.300 -0.032 0.000 1.067 274 M CA 1.637 56.939 55.300 0.003 0.000 1.124 274 M CB -0.423 32.278 32.600 0.168 0.000 1.353 274 M HN 0.199 nan 8.290 nan 0.000 0.410 275 A N -0.806 122.009 122.820 -0.009 0.000 1.908 275 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 275 A C 2.183 179.790 177.584 0.039 0.000 1.181 275 A CA 2.128 54.175 52.037 0.017 0.000 0.627 275 A CB -1.343 17.663 19.000 0.009 0.000 0.818 275 A HN 0.394 nan 8.150 nan 0.000 0.445 276 V N -0.275 119.642 119.914 0.006 0.000 2.295 276 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 276 V C 3.068 179.173 176.094 0.018 0.000 1.049 276 V CA 1.963 64.286 62.300 0.039 0.000 1.024 276 V CB -1.216 30.643 31.823 0.059 0.000 0.648 276 V HN 0.634 nan 8.190 nan 0.000 0.447 277 A N -0.795 121.948 122.820 -0.129 0.000 1.877 277 A HA -0.294 4.025 4.320 -0.001 0.000 0.216 277 A C 2.171 179.748 177.584 -0.013 0.000 1.186 277 A CA 2.039 54.002 52.037 -0.124 0.000 0.620 277 A CB -0.498 18.312 19.000 -0.317 0.000 0.822 277 A HN 0.635 nan 8.150 nan 0.000 0.443 278 Q N -1.816 117.994 119.800 0.016 0.000 2.084 278 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 278 Q C 1.959 177.969 176.000 0.016 0.000 0.978 278 Q CA 1.570 57.391 55.803 0.030 0.000 0.844 278 Q CB -0.348 28.418 28.738 0.046 0.000 0.898 278 Q HN 0.756 nan 8.270 nan 0.000 0.426 279 F N 1.406 121.320 119.950 -0.060 0.000 2.095 279 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 279 F C 1.760 177.501 175.800 -0.098 0.000 1.104 279 F CA 1.379 59.341 58.000 -0.065 0.000 1.232 279 F CB -0.145 38.825 39.000 -0.050 0.000 0.987 279 F HN -0.045 nan 8.300 nan 0.000 0.475 280 L N 0.055 121.183 121.223 -0.159 0.000 2.056 280 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 280 L C 2.520 179.218 176.870 -0.286 0.000 1.078 280 L CA 1.842 56.489 54.840 -0.321 0.000 0.749 280 L CB -0.803 41.068 42.059 -0.313 0.000 0.901 280 L HN 0.216 nan 8.230 nan 0.000 0.433 281 E N -0.335 119.766 120.200 -0.164 0.000 2.204 281 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 281 E C 1.852 178.353 176.600 -0.165 0.000 0.989 281 E CA 0.912 57.245 56.400 -0.113 0.000 0.824 281 E CB 0.196 29.872 29.700 -0.039 0.000 0.756 281 E HN 0.299 nan 8.360 nan 0.000 0.477 282 S N 0.493 116.055 115.700 -0.229 0.000 2.593 282 S HA 0.029 4.498 4.470 -0.001 0.000 0.217 282 S C 0.291 174.683 174.600 -0.347 0.000 0.966 282 S CA -0.268 57.785 58.200 -0.245 0.000 0.914 282 S CB -0.015 63.061 63.200 -0.207 0.000 0.776 282 S HN 0.203 nan 8.310 nan 0.000 0.523 283 N N 2.337 120.778 118.700 -0.431 0.000 2.426 283 N HA 0.185 4.924 4.740 -0.001 0.000 0.275 283 N C -2.188 173.088 175.510 -0.391 0.000 1.019 283 N CA -1.717 51.045 53.050 -0.481 0.000 0.941 283 N CB 1.783 39.920 38.487 -0.584 0.000 1.123 283 N HN -0.005 nan 8.380 nan 0.000 0.486 284 P HA 0.021 nan 4.420 nan 0.000 0.241 284 P C 0.389 177.388 177.300 -0.502 0.000 1.191 284 P CA 0.636 63.415 63.100 -0.534 0.000 0.771 284 P CB -0.091 31.197 31.700 -0.687 0.000 0.929 285 W N -0.148 121.037 121.300 -0.193 0.000 3.256 285 W HA 0.163 4.823 4.660 -0.001 0.000 0.269 285 W C 0.245 176.676 176.519 -0.148 0.000 1.310 285 W CA -0.521 56.662 57.345 -0.270 0.000 1.673 285 W CB 0.001 29.356 29.460 -0.176 0.000 1.115 285 W HN -0.339 nan 8.180 nan 0.000 0.686 286 V N 1.546 121.485 119.914 0.040 0.000 2.370 286 V HA 0.087 4.206 4.120 -0.001 0.000 0.279 286 V C 1.038 177.170 176.094 0.063 0.000 1.029 286 V CA -0.405 61.949 62.300 0.090 0.000 0.870 286 V CB 1.550 33.362 31.823 -0.018 0.000 0.984 286 V HN -0.107 nan 8.190 nan 0.000 0.451 287 E N 4.196 124.472 120.200 0.126 0.000 2.072 287 E HA -0.008 4.341 4.350 -0.001 0.000 0.190 287 E C 0.686 177.327 176.600 0.068 0.000 0.982 287 E CA 1.310 57.752 56.400 0.070 0.000 0.803 287 E CB 0.268 30.012 29.700 0.074 0.000 0.755 287 E HN 0.620 nan 8.360 nan 0.000 0.453 288 K N -0.761 119.739 120.400 0.167 0.000 2.583 288 K HA 0.300 4.620 4.320 -0.001 0.000 0.260 288 K C -1.912 174.855 176.600 0.279 0.000 0.931 288 K CA -0.575 55.814 56.287 0.170 0.000 0.849 288 K CB 1.674 34.247 32.500 0.121 0.000 1.347 288 K HN -0.090 nan 8.250 nan 0.000 0.425 289 V N 5.025 125.062 119.914 0.206 0.000 2.513 289 V HA 0.527 4.646 4.120 -0.001 0.000 0.299 289 V C -0.256 175.986 176.094 0.248 0.000 1.035 289 V CA -0.751 61.692 62.300 0.238 0.000 0.889 289 V CB 1.554 33.469 31.823 0.153 0.000 0.988 289 V HN 0.600 nan 8.190 nan 0.000 0.440 290 I N 5.393 126.140 120.570 0.295 0.000 2.405 290 I HA 0.426 4.595 4.170 -0.001 0.000 0.280 290 I C -1.341 175.049 176.117 0.455 0.000 1.027 290 I CA -0.419 61.076 61.300 0.324 0.000 1.161 290 I CB 0.898 39.059 38.000 0.267 0.000 1.300 290 I HN 0.596 nan 8.210 nan 0.000 0.463 291 Y N 8.495 128.992 120.300 0.329 0.000 2.330 291 Y HA 0.407 4.957 4.550 -0.001 0.000 0.324 291 Y C -2.349 173.672 175.900 0.202 0.000 1.093 291 Y CA -2.206 56.043 58.100 0.249 0.000 1.103 291 Y CB 2.210 40.783 38.460 0.189 0.000 1.183 291 Y HN 0.307 nan 8.280 nan 0.000 0.433 292 P HA -0.115 nan 4.420 nan 0.000 0.218 292 P C 1.278 178.444 177.300 -0.223 0.000 1.146 292 P CA 2.244 64.985 63.100 -0.599 0.000 0.813 292 P CB 0.302 31.659 31.700 -0.572 0.000 0.778 293 G N -1.637 106.898 108.800 -0.443 0.000 2.712 293 G HA2 0.023 3.983 3.960 -0.001 0.000 0.212 293 G HA3 0.023 3.983 3.960 -0.001 0.000 0.212 293 G C 0.384 175.452 174.900 0.280 0.000 1.142 293 G CA -0.060 45.145 45.100 0.175 0.000 0.789 293 G HN 0.213 nan 8.290 nan 0.000 0.535 294 L N 0.559 121.883 121.223 0.170 0.000 2.326 294 L HA 0.248 4.587 4.340 -0.001 0.000 0.278 294 L C -1.338 175.263 176.870 -0.448 0.000 1.092 294 L CA -1.950 52.882 54.840 -0.014 0.000 0.810 294 L CB 2.019 44.167 42.059 0.150 0.000 1.153 294 L HN -0.105 nan 8.230 nan 0.000 0.439 295 P HA -0.151 nan 4.420 nan 0.000 0.221 295 P C 1.418 178.631 177.300 -0.144 0.000 1.145 295 P CA 0.923 63.714 63.100 -0.514 0.000 0.795 295 P CB 0.161 31.730 31.700 -0.218 0.000 0.775 296 S N -2.436 113.226 115.700 -0.063 0.000 2.447 296 S HA -0.158 4.312 4.470 -0.001 0.000 0.233 296 S C 1.141 175.777 174.600 0.060 0.000 1.006 296 S CA 0.290 58.496 58.200 0.009 0.000 0.957 296 S CB -1.328 61.885 63.200 0.022 0.000 0.773 296 S HN 0.235 nan 8.310 nan 0.000 0.507 297 H N 3.430 122.508 119.070 0.014 0.000 2.886 297 H HA 0.162 4.717 4.556 -0.001 0.000 0.329 297 H C -1.903 173.470 175.328 0.075 0.000 1.044 297 H CA -1.233 54.857 56.048 0.069 0.000 1.456 297 H CB 1.196 31.016 29.762 0.096 0.000 1.464 297 H HN 0.051 nan 8.280 nan 0.000 0.573 298 P HA -0.112 nan 4.420 nan 0.000 0.219 298 P C 0.359 177.757 177.300 0.163 0.000 1.146 298 P CA 1.300 64.406 63.100 0.010 0.000 0.808 298 P CB 0.346 31.989 31.700 -0.095 0.000 0.779 299 Q N -2.813 117.239 119.800 0.420 0.000 2.189 299 Q HA 0.065 4.405 4.340 -0.001 0.000 0.221 299 Q C 1.292 177.396 176.000 0.174 0.000 0.848 299 Q CA -0.072 55.890 55.803 0.266 0.000 1.007 299 Q CB -0.647 28.227 28.738 0.227 0.000 1.116 299 Q HN 0.297 nan 8.270 nan 0.000 0.481 300 H N 1.224 120.367 119.070 0.121 0.000 2.319 300 H HA -0.161 4.395 4.556 -0.001 0.000 0.297 300 H C 1.374 176.636 175.328 -0.110 0.000 1.097 300 H CA 2.037 58.071 56.048 -0.023 0.000 1.285 300 H CB 0.602 30.377 29.762 0.023 0.000 1.368 300 H HN 0.152 nan 8.280 nan 0.000 0.495 301 E N -0.103 120.005 120.200 -0.153 0.000 2.106 301 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 301 E C 2.402 178.874 176.600 -0.213 0.000 0.984 301 E CA 0.788 57.049 56.400 -0.232 0.000 0.806 301 E CB -0.466 29.177 29.700 -0.095 0.000 0.750 301 E HN 0.428 nan 8.360 nan 0.000 0.458 302 L N 0.713 121.860 121.223 -0.126 0.000 2.046 302 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 302 L C 2.269 179.055 176.870 -0.141 0.000 1.077 302 L CA 1.270 56.050 54.840 -0.099 0.000 0.747 302 L CB -0.613 41.424 42.059 -0.038 0.000 0.896 302 L HN -0.119 nan 8.230 nan 0.000 0.432 303 V N 0.241 120.046 119.914 -0.183 0.000 2.282 303 V HA -0.364 3.756 4.120 -0.001 0.000 0.249 303 V C 2.609 178.551 176.094 -0.255 0.000 1.057 303 V CA 2.345 64.526 62.300 -0.198 0.000 1.032 303 V CB -0.785 30.899 31.823 -0.231 0.000 0.645 303 V HN 0.502 nan 8.190 nan 0.000 0.447 304 K N -0.430 119.652 120.400 -0.530 0.000 2.209 304 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 304 K C 2.279 178.690 176.600 -0.315 0.000 1.048 304 K CA 1.090 56.952 56.287 -0.707 0.000 0.940 304 K CB -0.220 31.675 32.500 -1.009 0.000 0.729 304 K HN 0.453 nan 8.250 nan 0.000 0.451 305 R N 0.862 121.234 120.500 -0.214 0.000 2.119 305 R HA -0.101 4.238 4.340 -0.001 0.000 0.222 305 R C 2.101 178.367 176.300 -0.057 0.000 1.088 305 R CA 1.252 57.283 56.100 -0.115 0.000 0.984 305 R CB 0.085 30.333 30.300 -0.088 0.000 0.884 305 R HN 0.390 nan 8.270 nan 0.000 0.447 306 Q N -1.142 118.630 119.800 -0.048 0.000 2.217 306 Q HA 0.197 4.536 4.340 -0.001 0.000 0.217 306 Q C -0.256 175.767 176.000 0.038 0.000 0.844 306 Q CA -0.123 55.681 55.803 0.002 0.000 0.957 306 Q CB 0.858 29.592 28.738 -0.006 0.000 1.127 306 Q HN 0.057 nan 8.270 nan 0.000 0.503 307 C N 0.596 119.912 119.300 0.026 0.000 2.802 307 C HA 0.471 4.930 4.460 -0.001 0.000 0.307 307 C C 1.408 176.415 174.990 0.028 0.000 1.222 307 C CA -0.139 58.907 59.018 0.045 0.000 1.580 307 C CB 1.873 29.620 27.740 0.012 0.000 2.119 307 C HN 0.540 nan 8.230 nan 0.000 0.479 308 T N -1.512 112.956 114.554 -0.143 0.000 3.100 308 T HA 0.483 4.833 4.350 -0.001 0.000 0.253 308 T C 0.639 175.012 174.700 -0.546 0.000 1.118 308 T CA 0.708 62.570 62.100 -0.397 0.000 1.058 308 T CB 0.005 68.369 68.868 -0.839 0.000 0.953 308 T HN 1.483 nan 8.240 nan 0.000 0.515 309 G N -0.841 107.468 108.800 -0.820 0.000 2.321 309 G HA2 0.443 4.403 3.960 -0.001 0.000 0.296 309 G HA3 0.443 4.403 3.960 -0.001 0.000 0.296 309 G C -1.627 171.941 174.900 -2.221 0.000 1.287 309 G CA -0.384 43.558 45.100 -1.931 0.000 0.846 309 G HN 0.409 nan 8.290 nan 0.000 0.508 310 C N -0.474 117.003 119.300 -3.039 0.000 2.848 310 C HA 0.964 5.423 4.460 -0.001 0.000 0.317 310 C C 1.052 175.336 174.990 -1.175 0.000 1.260 310 C CA 0.134 58.164 59.018 -1.646 0.000 1.656 310 C CB 1.256 28.379 27.740 -1.028 0.000 2.174 310 C HN 1.243 nan 8.230 nan 0.000 0.479 311 T N -1.268 113.033 114.554 -0.422 0.000 2.898 311 T HA 0.542 4.892 4.350 -0.001 0.000 0.283 311 T C 1.049 175.877 174.700 0.214 0.000 1.059 311 T CA 0.416 62.457 62.100 -0.098 0.000 0.958 311 T CB 0.693 69.401 68.868 -0.266 0.000 1.594 311 T HN 0.891 nan 8.240 nan 0.000 0.598 312 G N -0.165 108.767 108.800 0.220 0.000 3.042 312 G HA2 0.222 4.182 3.960 -0.001 0.000 0.212 312 G HA3 0.222 4.182 3.960 -0.001 0.000 0.212 312 G C 0.497 175.541 174.900 0.240 0.000 1.166 312 G CA -0.294 44.984 45.100 0.298 0.000 0.767 312 G HN 0.476 nan 8.290 nan 0.000 0.546 313 M N 1.754 121.479 119.600 0.208 0.000 2.194 313 M HA 0.332 4.811 4.480 -0.001 0.000 0.347 313 M C -0.784 175.708 176.300 0.321 0.000 1.439 313 M CA -0.490 54.886 55.300 0.127 0.000 1.131 313 M CB 0.781 33.274 32.600 -0.179 0.000 1.733 313 M HN -0.218 nan 8.290 nan 0.000 0.467 314 V N 3.563 123.636 119.914 0.265 0.000 2.483 314 V HA 0.448 4.567 4.120 -0.001 0.000 0.297 314 V C 0.071 176.341 176.094 0.293 0.000 1.027 314 V CA -0.679 61.793 62.300 0.286 0.000 0.855 314 V CB 2.038 33.931 31.823 0.116 0.000 0.995 314 V HN 0.826 nan 8.190 nan 0.000 0.424 315 T N 6.297 121.033 114.554 0.302 0.000 2.829 315 T HA 0.783 5.132 4.350 -0.001 0.000 0.282 315 T C -0.620 174.236 174.700 0.260 0.000 0.990 315 T CA -0.167 62.056 62.100 0.205 0.000 1.028 315 T CB 0.845 69.794 68.868 0.135 0.000 0.951 315 T HN 0.615 nan 8.240 nan 0.000 0.460 316 F N 0.576 120.485 119.950 -0.069 0.000 2.626 316 F HA 0.742 5.268 4.527 -0.001 0.000 0.311 316 F C -2.042 173.643 175.800 -0.192 0.000 1.088 316 F CA -1.693 56.273 58.000 -0.057 0.000 0.949 316 F CB 1.209 40.195 39.000 -0.022 0.000 1.322 316 F HN 0.393 nan 8.300 nan 0.000 0.461 317 Y N 3.361 123.660 120.300 -0.001 0.000 2.331 317 Y HA 0.492 5.042 4.550 -0.001 0.000 0.338 317 Y C 0.195 176.108 175.900 0.021 0.000 0.976 317 Y CA -0.808 57.231 58.100 -0.101 0.000 1.137 317 Y CB 1.510 39.959 38.460 -0.018 0.000 1.172 317 Y HN 0.695 nan 8.280 nan 0.000 0.478 318 I N 4.083 124.669 120.570 0.026 0.000 2.575 318 I HA 0.128 4.297 4.170 -0.001 0.000 0.285 318 I C -0.085 176.141 176.117 0.182 0.000 1.085 318 I CA -0.353 61.045 61.300 0.164 0.000 1.403 318 I CB 0.438 38.478 38.000 0.067 0.000 1.409 318 I HN 0.585 nan 8.210 nan 0.000 0.557 319 K N 4.628 125.136 120.400 0.180 0.000 2.319 319 K HA 0.424 4.743 4.320 -0.001 0.000 0.265 319 K C 0.452 177.132 176.600 0.135 0.000 1.000 319 K CA 0.782 57.127 56.287 0.096 0.000 0.943 319 K CB 0.613 33.092 32.500 -0.035 0.000 0.950 319 K HN 0.948 nan 8.250 nan 0.000 0.485 320 G N 0.604 109.443 108.800 0.066 0.000 2.578 320 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.232 320 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.232 320 G C -0.253 174.790 174.900 0.238 0.000 1.176 320 G CA -0.148 44.986 45.100 0.057 0.000 0.968 320 G HN 0.828 nan 8.290 nan 0.000 0.583 321 T N -2.618 112.218 114.554 0.470 0.000 2.742 321 T HA 0.643 4.993 4.350 -0.001 0.000 0.282 321 T C 1.357 176.148 174.700 0.151 0.000 1.025 321 T CA 0.510 62.748 62.100 0.231 0.000 1.020 321 T CB 1.485 70.447 68.868 0.156 0.000 1.317 321 T HN 1.744 nan 8.240 nan 0.000 0.538 322 L N 0.826 122.087 121.223 0.064 0.000 2.051 322 L HA -0.144 4.196 4.340 -0.001 0.000 0.214 322 L C 2.849 179.710 176.870 -0.015 0.000 1.076 322 L CA 2.520 57.375 54.840 0.024 0.000 0.758 322 L CB -0.966 41.098 42.059 0.008 0.000 0.890 322 L HN 0.925 nan 8.230 nan 0.000 0.433 323 Q N -1.414 118.331 119.800 -0.091 0.000 2.077 323 Q HA -0.289 4.050 4.340 -0.001 0.000 0.206 323 Q C 2.115 177.971 176.000 -0.240 0.000 0.989 323 Q CA 2.324 58.005 55.803 -0.203 0.000 0.853 323 Q CB -0.219 28.317 28.738 -0.336 0.000 0.907 323 Q HN 0.751 nan 8.270 nan 0.000 0.418 324 H N -0.450 118.585 119.070 -0.058 0.000 2.357 324 H HA -0.031 4.524 4.556 -0.001 0.000 0.301 324 H C 2.018 177.350 175.328 0.006 0.000 1.082 324 H CA 1.359 57.339 56.048 -0.114 0.000 1.342 324 H CB -0.168 29.479 29.762 -0.191 0.000 1.389 324 H HN 0.446 nan 8.280 nan 0.000 0.511 325 A N 1.182 124.083 122.820 0.134 0.000 1.883 325 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 325 A C 2.109 179.787 177.584 0.158 0.000 1.186 325 A CA 1.999 54.108 52.037 0.121 0.000 0.624 325 A CB -0.370 18.653 19.000 0.038 0.000 0.822 325 A HN 0.500 nan 8.150 nan 0.000 0.444 326 E N -0.497 119.745 120.200 0.070 0.000 2.047 326 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 326 E C 1.946 178.570 176.600 0.039 0.000 0.987 326 E CA 1.156 57.582 56.400 0.044 0.000 0.799 326 E CB -0.288 29.412 29.700 0.001 0.000 0.752 326 E HN 0.701 nan 8.360 nan 0.000 0.449 327 I N 0.810 121.390 120.570 0.017 0.000 2.208 327 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 327 I C 2.349 178.494 176.117 0.046 0.000 1.097 327 I CA 0.967 62.268 61.300 0.002 0.000 1.363 327 I CB -0.298 37.675 38.000 -0.045 0.000 1.051 327 I HN 0.084 nan 8.210 nan 0.000 0.413 328 F N 1.860 121.806 119.950 -0.006 0.000 2.043 328 F HA -0.271 4.256 4.527 -0.001 0.000 0.297 328 F C 2.210 178.030 175.800 0.034 0.000 1.121 328 F CA 1.877 59.899 58.000 0.036 0.000 1.199 328 F CB -0.462 38.597 39.000 0.099 0.000 0.968 328 F HN -0.126 nan 8.300 nan 0.000 0.478 329 L N 0.350 121.557 121.223 -0.027 0.000 2.046 329 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 329 L C 2.610 179.399 176.870 -0.135 0.000 1.077 329 L CA 1.846 56.609 54.840 -0.128 0.000 0.747 329 L CB -0.830 41.265 42.059 0.060 0.000 0.896 329 L HN 0.160 nan 8.230 nan 0.000 0.432 330 K N 0.056 120.412 120.400 -0.073 0.000 2.211 330 K HA -0.163 4.157 4.320 -0.001 0.000 0.204 330 K C 1.634 178.186 176.600 -0.081 0.000 1.047 330 K CA 1.184 57.435 56.287 -0.058 0.000 0.935 330 K CB 0.038 32.516 32.500 -0.036 0.000 0.728 330 K HN 0.373 nan 8.250 nan 0.000 0.452 331 N N 0.452 119.076 118.700 -0.126 0.000 2.373 331 N HA 0.020 4.759 4.740 -0.001 0.000 0.181 331 N C -0.062 175.365 175.510 -0.139 0.000 1.082 331 N CA 0.118 53.099 53.050 -0.115 0.000 0.885 331 N CB 0.285 38.715 38.487 -0.095 0.000 0.977 331 N HN 0.127 nan 8.380 nan 0.000 0.462 332 L N 1.419 122.516 121.223 -0.209 0.000 2.455 332 L HA 0.030 4.369 4.340 -0.001 0.000 0.272 332 L C 1.219 178.067 176.870 -0.037 0.000 1.174 332 L CA 0.479 55.229 54.840 -0.149 0.000 0.869 332 L CB 0.587 42.538 42.059 -0.181 0.000 1.130 332 L HN -0.113 nan 8.230 nan 0.000 0.474 333 K N 2.676 123.079 120.400 0.006 0.000 2.402 333 K HA 0.124 4.443 4.320 -0.001 0.000 0.204 333 K C 0.573 177.194 176.600 0.034 0.000 1.056 333 K CA -0.116 56.181 56.287 0.016 0.000 1.069 333 K CB 0.774 33.277 32.500 0.005 0.000 0.888 333 K HN 0.425 nan 8.250 nan 0.000 0.546 334 L N -0.553 120.716 121.223 0.076 0.000 2.664 334 L HA 0.396 4.736 4.340 -0.001 0.000 0.198 334 L C -0.311 176.575 176.870 0.026 0.000 1.057 334 L CA 0.412 55.275 54.840 0.038 0.000 0.871 334 L CB 0.204 42.276 42.059 0.021 0.000 1.364 334 L HN -0.152 nan 8.230 nan 0.000 0.483 335 F N 1.490 121.434 119.950 -0.010 0.000 2.607 335 F HA 0.220 4.746 4.527 -0.001 0.000 0.374 335 F C 0.741 176.538 175.800 -0.004 0.000 1.104 335 F CA 0.764 58.767 58.000 0.006 0.000 1.296 335 F CB 0.193 39.202 39.000 0.015 0.000 1.085 335 F HN -0.050 nan 8.300 nan 0.000 0.584 336 T N 4.976 119.626 114.554 0.161 0.000 2.824 336 T HA 0.356 4.705 4.350 -0.001 0.000 0.280 336 T C -0.722 174.045 174.700 0.111 0.000 0.995 336 T CA -0.621 61.539 62.100 0.099 0.000 1.009 336 T CB 1.253 70.154 68.868 0.056 0.000 0.955 336 T HN 0.368 nan 8.240 nan 0.000 0.452 337 L N 3.984 125.253 121.223 0.078 0.000 2.385 337 L HA 0.617 4.956 4.340 -0.001 0.000 0.281 337 L C -0.132 176.775 176.870 0.061 0.000 1.106 337 L CA 0.458 55.341 54.840 0.071 0.000 0.856 337 L CB -1.148 40.938 42.059 0.046 0.000 1.186 337 L HN 0.864 nan 8.230 nan 0.000 0.453 338 A N 4.085 126.946 122.820 0.070 0.000 2.583 338 A HA 0.534 4.853 4.320 -0.001 0.000 0.292 338 A C -0.837 176.785 177.584 0.064 0.000 1.045 338 A CA -0.854 51.216 52.037 0.056 0.000 0.672 338 A CB 0.671 19.695 19.000 0.039 0.000 1.283 338 A HN 0.642 nan 8.150 nan 0.000 0.419 339 E N 0.504 120.740 120.200 0.060 0.000 2.351 339 E HA 0.596 4.945 4.350 -0.001 0.000 0.255 339 E C 0.322 176.949 176.600 0.044 0.000 1.188 339 E CA 0.442 56.887 56.400 0.074 0.000 0.940 339 E CB 0.906 30.658 29.700 0.086 0.000 1.094 339 E HN 1.142 nan 8.360 nan 0.000 0.474 340 S N -1.364 114.365 115.700 0.049 0.000 4.024 340 S HA -0.100 4.369 4.470 -0.001 0.000 0.651 340 S C -1.489 173.079 174.600 -0.055 0.000 1.390 340 S CA 0.332 58.524 58.200 -0.015 0.000 1.539 340 S CB -0.518 62.652 63.200 -0.050 0.000 0.334 340 S HN 0.656 nan 8.310 nan 0.000 1.574 341 L N -2.161 118.969 121.223 -0.155 0.000 3.020 341 L HA 0.805 5.144 4.340 -0.001 0.000 0.273 341 L C 0.811 177.383 176.870 -0.496 0.000 1.018 341 L CA 0.157 54.831 54.840 -0.278 0.000 0.950 341 L CB 0.835 42.734 42.059 -0.266 0.000 1.510 341 L HN 2.189 nan 8.230 nan 0.000 0.404 342 G N -1.166 107.135 108.800 -0.833 0.000 2.175 342 G HA2 0.068 4.028 3.960 -0.001 0.000 0.244 342 G HA3 0.068 4.028 3.960 -0.001 0.000 0.244 342 G C 0.365 174.873 174.900 -0.653 0.000 0.982 342 G CA 0.209 44.472 45.100 -1.396 0.000 0.641 342 G HN 1.485 nan 8.290 nan 0.000 0.527 343 G N -0.523 108.009 108.800 -0.446 0.000 2.522 343 G HA2 0.655 4.614 3.960 -0.001 0.000 0.304 343 G HA3 0.655 4.614 3.960 -0.001 0.000 0.304 343 G C 0.843 175.594 174.900 -0.247 0.000 1.210 343 G CA -0.235 44.589 45.100 -0.459 0.000 0.960 343 G HN 0.659 nan 8.290 nan 0.000 0.497 344 F N -0.720 119.182 119.950 -0.079 0.000 2.293 344 F HA 0.133 4.659 4.527 -0.001 0.000 0.300 344 F C 1.354 177.115 175.800 -0.064 0.000 1.086 344 F CA 0.204 58.154 58.000 -0.083 0.000 1.375 344 F CB -0.304 38.597 39.000 -0.165 0.000 1.045 344 F HN 0.299 nan 8.300 nan 0.000 0.516 345 E N 1.877 122.164 120.200 0.145 0.000 2.277 345 E HA 0.244 4.593 4.350 -0.001 0.000 0.274 345 E C -0.865 175.703 176.600 -0.052 0.000 1.022 345 E CA -0.642 55.814 56.400 0.094 0.000 0.853 345 E CB 1.574 31.348 29.700 0.124 0.000 1.086 345 E HN 0.025 nan 8.360 nan 0.000 0.397 346 S N 2.378 117.978 115.700 -0.167 0.000 2.528 346 S HA 0.373 4.842 4.470 -0.001 0.000 0.277 346 S C 0.112 174.640 174.600 -0.119 0.000 1.297 346 S CA -0.520 57.487 58.200 -0.322 0.000 1.052 346 S CB 0.132 62.701 63.200 -1.051 0.000 0.917 346 S HN 0.357 nan 8.310 nan 0.000 0.492 347 L N 2.109 123.389 121.223 0.095 0.000 2.354 347 L HA 0.865 5.205 4.340 -0.001 0.000 0.264 347 L C -0.161 176.930 176.870 0.368 0.000 1.008 347 L CA -0.876 54.079 54.840 0.192 0.000 0.819 347 L CB 1.918 44.025 42.059 0.080 0.000 1.339 347 L HN 0.673 nan 8.230 nan 0.000 0.420 348 A N 1.840 124.839 122.820 0.298 0.000 2.435 348 A HA 0.855 5.175 4.320 -0.001 0.000 0.304 348 A C -1.113 176.569 177.584 0.163 0.000 1.064 348 A CA -0.394 51.792 52.037 0.249 0.000 0.727 348 A CB 2.016 21.153 19.000 0.228 0.000 1.284 348 A HN 0.823 nan 8.150 nan 0.000 0.415 349 E N 0.029 120.312 120.200 0.139 0.000 2.445 349 E HA 0.623 4.973 4.350 -0.001 0.000 0.279 349 E C -1.923 174.714 176.600 0.062 0.000 1.018 349 E CA -0.837 55.624 56.400 0.102 0.000 0.816 349 E CB 1.360 31.125 29.700 0.108 0.000 1.356 349 E HN 0.504 nan 8.360 nan 0.000 0.462 350 L N 2.398 123.649 121.223 0.048 0.000 2.356 350 L HA 0.443 4.783 4.340 -0.001 0.000 0.264 350 L C -2.228 174.658 176.870 0.027 0.000 1.029 350 L CA -2.237 52.608 54.840 0.008 0.000 0.897 350 L CB 1.404 43.471 42.059 0.014 0.000 1.256 350 L HN 0.507 nan 8.230 nan 0.000 0.444 351 P HA -0.187 nan 4.420 nan 0.000 0.216 351 P C 1.397 178.748 177.300 0.086 0.000 1.153 351 P CA 1.788 64.934 63.100 0.076 0.000 0.858 351 P CB 0.294 31.961 31.700 -0.056 0.000 0.789 352 A N -1.292 121.542 122.820 0.023 0.000 2.024 352 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 352 A C 2.052 179.660 177.584 0.039 0.000 1.164 352 A CA 1.540 53.595 52.037 0.031 0.000 0.643 352 A CB -1.353 17.651 19.000 0.007 0.000 0.806 352 A HN 0.208 nan 8.150 nan 0.000 0.451 353 I N -2.637 117.956 120.570 0.038 0.000 4.035 353 I HA 0.088 4.257 4.170 -0.001 0.000 0.321 353 I C 1.965 178.106 176.117 0.041 0.000 1.289 353 I CA 0.166 61.485 61.300 0.032 0.000 1.236 353 I CB 0.145 38.159 38.000 0.024 0.000 1.076 353 I HN 0.290 nan 8.210 nan 0.000 0.418 354 M N -0.163 119.474 119.600 0.062 0.000 2.586 354 M HA 0.061 4.541 4.480 -0.001 0.000 0.150 354 M C 2.222 178.571 176.300 0.081 0.000 1.550 354 M CA 0.986 56.328 55.300 0.069 0.000 1.553 354 M CB -0.357 32.291 32.600 0.079 0.000 0.785 354 M HN 0.023 nan 8.290 nan 0.000 0.609 355 T N -1.967 112.670 114.554 0.138 0.000 2.929 355 T HA -0.137 4.212 4.350 -0.001 0.000 0.271 355 T C 0.867 175.527 174.700 -0.068 0.000 1.085 355 T CA 1.547 63.718 62.100 0.118 0.000 1.125 355 T CB -0.535 68.504 68.868 0.284 0.000 0.874 355 T HN 0.405 nan 8.240 nan 0.000 0.494 356 H N -0.206 118.861 119.070 -0.006 0.000 2.512 356 H HA 0.725 5.280 4.556 -0.001 0.000 0.276 356 H C 1.906 177.206 175.328 -0.046 0.000 1.126 356 H CA -0.087 55.934 56.048 -0.045 0.000 1.060 356 H CB 0.040 29.790 29.762 -0.019 0.000 1.646 356 H HN 0.430 nan 8.280 nan 0.000 0.571 357 A N 0.382 123.220 122.820 0.031 0.000 2.024 357 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 357 A C 2.211 179.779 177.584 -0.028 0.000 1.164 357 A CA 1.726 53.766 52.037 0.006 0.000 0.643 357 A CB -0.463 18.538 19.000 0.003 0.000 0.806 357 A HN 0.472 nan 8.150 nan 0.000 0.451 358 S N -0.817 114.839 115.700 -0.073 0.000 2.515 358 S HA 0.126 4.596 4.470 -0.001 0.000 0.231 358 S C 0.493 175.036 174.600 -0.094 0.000 0.987 358 S CA 0.379 58.520 58.200 -0.098 0.000 0.936 358 S CB -0.636 62.465 63.200 -0.165 0.000 0.766 358 S HN 0.160 nan 8.310 nan 0.000 0.528 359 V N 3.009 122.880 119.914 -0.070 0.000 2.498 359 V HA 0.274 4.393 4.120 -0.001 0.000 0.279 359 V C 0.472 176.539 176.094 -0.046 0.000 1.048 359 V CA -0.853 61.410 62.300 -0.062 0.000 0.967 359 V CB 0.888 32.706 31.823 -0.008 0.000 0.988 359 V HN 0.423 nan 8.190 nan 0.000 0.473 360 L N 4.430 125.615 121.223 -0.063 0.000 2.559 360 L HA 0.032 4.371 4.340 -0.001 0.000 0.282 360 L C 1.970 178.820 176.870 -0.034 0.000 1.232 360 L CA -0.013 54.799 54.840 -0.046 0.000 0.885 360 L CB 0.120 42.147 42.059 -0.053 0.000 1.131 360 L HN 0.669 nan 8.230 nan 0.000 0.498 361 K N 3.054 123.442 120.400 -0.021 0.000 2.034 361 K HA -0.268 4.051 4.320 -0.001 0.000 0.214 361 K C 1.564 178.156 176.600 -0.014 0.000 1.051 361 K CA 2.274 58.553 56.287 -0.012 0.000 0.931 361 K CB -0.373 32.123 32.500 -0.007 0.000 0.715 361 K HN 0.691 nan 8.250 nan 0.000 0.446 362 N N 0.906 119.595 118.700 -0.018 0.000 2.149 362 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 362 N C 1.205 176.700 175.510 -0.025 0.000 1.019 362 N CA 1.891 54.931 53.050 -0.017 0.000 0.857 362 N CB -0.153 38.325 38.487 -0.016 0.000 0.997 362 N HN 0.176 nan 8.380 nan 0.000 0.426 363 D N -0.056 120.318 120.400 -0.043 0.000 2.097 363 D HA -0.104 4.535 4.640 -0.001 0.000 0.195 363 D C 1.983 178.257 176.300 -0.043 0.000 0.989 363 D CA 0.755 54.716 54.000 -0.065 0.000 0.827 363 D CB -0.255 40.469 40.800 -0.127 0.000 0.966 363 D HN 0.308 nan 8.370 nan 0.000 0.456 364 R N 0.522 121.004 120.500 -0.029 0.000 2.096 364 R HA -0.144 4.195 4.340 -0.001 0.000 0.240 364 R C 1.750 178.051 176.300 0.002 0.000 1.139 364 R CA 1.472 57.566 56.100 -0.010 0.000 0.952 364 R CB -0.152 30.148 30.300 -0.000 0.000 0.854 364 R HN 0.215 nan 8.270 nan 0.000 0.436 365 D N -0.126 120.275 120.400 0.002 0.000 2.097 365 D HA -0.120 4.519 4.640 -0.001 0.000 0.195 365 D C 1.993 178.299 176.300 0.009 0.000 0.989 365 D CA 1.040 55.046 54.000 0.010 0.000 0.827 365 D CB -0.265 40.538 40.800 0.005 0.000 0.966 365 D HN 0.029 nan 8.370 nan 0.000 0.456 366 V N 1.158 121.073 119.914 0.001 0.000 2.343 366 V HA -0.204 3.916 4.120 -0.001 0.000 0.247 366 V C 2.572 178.672 176.094 0.010 0.000 1.051 366 V CA 1.137 63.439 62.300 0.003 0.000 1.036 366 V CB -0.406 31.416 31.823 -0.003 0.000 0.654 366 V HN 0.200 nan 8.190 nan 0.000 0.451 367 L N -0.030 121.198 121.223 0.009 0.000 2.291 367 L HA 0.141 4.480 4.340 -0.001 0.000 0.214 367 L C 1.816 178.713 176.870 0.045 0.000 1.120 367 L CA 1.082 55.934 54.840 0.019 0.000 0.799 367 L CB -0.482 41.579 42.059 0.003 0.000 0.925 367 L HN 0.595 nan 8.230 nan 0.000 0.446 368 G N 0.350 109.184 108.800 0.057 0.000 2.141 368 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.231 368 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.231 368 G C 0.278 175.274 174.900 0.161 0.000 0.984 368 G CA -0.293 44.883 45.100 0.127 0.000 0.660 368 G HN 0.285 nan 8.290 nan 0.000 0.525 369 I N 3.265 123.867 120.570 0.054 0.000 2.204 369 I HA 0.271 4.440 4.170 -0.001 0.000 0.291 369 I C 1.355 177.484 176.117 0.019 0.000 1.153 369 I CA 0.298 61.593 61.300 -0.009 0.000 1.546 369 I CB -0.159 37.800 38.000 -0.068 0.000 1.490 369 I HN 0.367 nan 8.210 nan 0.000 0.697 370 S N 1.245 116.990 115.700 0.076 0.000 2.686 370 S HA 0.219 4.688 4.470 -0.001 0.000 0.270 370 S C 0.887 175.509 174.600 0.037 0.000 1.194 370 S CA -0.672 57.577 58.200 0.082 0.000 0.990 370 S CB 1.272 64.568 63.200 0.160 0.000 1.029 370 S HN 0.384 nan 8.310 nan 0.000 0.560 371 D N 0.727 121.152 120.400 0.042 0.000 2.309 371 D HA -0.005 4.634 4.640 -0.001 0.000 0.212 371 D C 1.593 177.904 176.300 0.017 0.000 0.968 371 D CA 1.745 55.760 54.000 0.025 0.000 0.882 371 D CB -0.375 40.445 40.800 0.034 0.000 0.918 371 D HN 0.807 nan 8.370 nan 0.000 0.503 372 T N -2.492 112.087 114.554 0.042 0.000 3.085 372 T HA 0.204 4.554 4.350 -0.001 0.000 0.264 372 T C 0.706 175.322 174.700 -0.140 0.000 1.019 372 T CA -0.484 61.625 62.100 0.015 0.000 0.910 372 T CB -0.039 68.900 68.868 0.118 0.000 1.059 372 T HN -0.007 nan 8.240 nan 0.000 0.542 373 L N 2.227 123.301 121.223 -0.248 0.000 2.369 373 L HA 0.553 4.892 4.340 -0.001 0.000 0.279 373 L C -0.884 175.710 176.870 -0.460 0.000 1.108 373 L CA -0.648 53.822 54.840 -0.616 0.000 0.852 373 L CB 0.325 42.033 42.059 -0.586 0.000 1.169 373 L HN 0.257 nan 8.230 nan 0.000 0.452 374 I N 5.791 125.970 120.570 -0.651 0.000 2.441 374 I HA 0.440 4.609 4.170 -0.001 0.000 0.295 374 I C -0.121 175.812 176.117 -0.307 0.000 0.994 374 I CA -0.596 60.394 61.300 -0.516 0.000 1.144 374 I CB 1.668 39.131 38.000 -0.895 0.000 1.314 374 I HN 0.599 nan 8.210 nan 0.000 0.445 375 R N 6.969 127.423 120.500 -0.076 0.000 2.387 375 R HA 0.650 4.989 4.340 -0.001 0.000 0.314 375 R C -1.611 174.783 176.300 0.155 0.000 0.958 375 R CA -0.635 55.502 56.100 0.062 0.000 0.846 375 R CB 1.147 31.502 30.300 0.092 0.000 1.147 375 R HN 0.598 nan 8.270 nan 0.000 0.447 376 L N 2.343 123.698 121.223 0.220 0.000 2.307 376 L HA 0.361 4.700 4.340 -0.001 0.000 0.284 376 L C 0.113 177.118 176.870 0.226 0.000 1.023 376 L CA -0.655 54.352 54.840 0.279 0.000 0.810 376 L CB 1.978 44.233 42.059 0.327 0.000 1.231 376 L HN 0.528 nan 8.230 nan 0.000 0.423 377 S N 2.703 118.528 115.700 0.208 0.000 2.474 377 S HA 0.413 4.883 4.470 -0.001 0.000 0.320 377 S C -0.369 174.327 174.600 0.161 0.000 1.067 377 S CA -0.610 57.644 58.200 0.090 0.000 1.127 377 S CB 0.441 63.612 63.200 -0.049 0.000 0.971 377 S HN 0.312 nan 8.310 nan 0.000 0.472 378 V N 5.743 125.785 119.914 0.214 0.000 2.508 378 V HA 0.463 4.583 4.120 -0.001 0.000 0.281 378 V C 1.398 177.631 176.094 0.231 0.000 1.041 378 V CA 0.173 62.596 62.300 0.206 0.000 1.016 378 V CB 0.673 32.637 31.823 0.236 0.000 0.984 378 V HN 0.902 nan 8.190 nan 0.000 0.478 379 G N 3.545 112.391 108.800 0.076 0.000 2.695 379 G HA2 0.496 4.456 3.960 -0.001 0.000 0.213 379 G HA3 0.496 4.456 3.960 -0.001 0.000 0.213 379 G C 0.298 175.195 174.900 -0.005 0.000 1.406 379 G CA -0.743 44.433 45.100 0.127 0.000 1.049 379 G HN 0.614 nan 8.290 nan 0.000 0.573 380 L N 0.017 121.202 121.223 -0.065 0.000 2.769 380 L HA 0.277 4.617 4.340 -0.001 0.000 0.240 380 L C 0.349 177.161 176.870 -0.097 0.000 1.163 380 L CA -0.093 54.667 54.840 -0.133 0.000 0.962 380 L CB -0.060 41.902 42.059 -0.161 0.000 1.258 380 L HN 0.333 nan 8.230 nan 0.000 0.513 381 E N 0.301 120.446 120.200 -0.092 0.000 2.410 381 E HA 0.022 4.371 4.350 -0.001 0.000 0.255 381 E C -0.113 176.439 176.600 -0.080 0.000 1.194 381 E CA -0.113 56.232 56.400 -0.092 0.000 0.955 381 E CB 0.396 30.026 29.700 -0.117 0.000 0.988 381 E HN 0.025 nan 8.360 nan 0.000 0.461 382 D N 1.750 122.108 120.400 -0.069 0.000 2.487 382 D HA -0.105 4.535 4.640 -0.001 0.000 0.243 382 D C 0.932 177.201 176.300 -0.052 0.000 1.154 382 D CA 0.420 54.386 54.000 -0.056 0.000 0.876 382 D CB 0.777 41.548 40.800 -0.048 0.000 1.161 382 D HN 0.543 nan 8.370 nan 0.000 0.478 383 E N 2.462 122.636 120.200 -0.044 0.000 2.086 383 E HA -0.272 4.078 4.350 -0.001 0.000 0.200 383 E C 1.582 178.154 176.600 -0.046 0.000 1.012 383 E CA 1.211 57.589 56.400 -0.038 0.000 0.812 383 E CB 0.168 29.849 29.700 -0.030 0.000 0.743 383 E HN 0.553 nan 8.360 nan 0.000 0.453 384 E N 0.567 120.741 120.200 -0.044 0.000 2.110 384 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 384 E C 1.398 177.967 176.600 -0.052 0.000 0.988 384 E CA 1.537 57.907 56.400 -0.049 0.000 0.804 384 E CB -0.147 29.532 29.700 -0.034 0.000 0.745 384 E HN 0.304 nan 8.360 nan 0.000 0.458 385 D N 0.995 121.370 120.400 -0.042 0.000 2.117 385 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 385 D C 2.285 178.576 176.300 -0.015 0.000 0.987 385 D CA 0.880 54.860 54.000 -0.032 0.000 0.829 385 D CB -0.287 40.490 40.800 -0.038 0.000 0.961 385 D HN 0.283 nan 8.370 nan 0.000 0.460 386 L N 0.324 121.539 121.223 -0.015 0.000 2.056 386 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 386 L C 2.581 179.489 176.870 0.065 0.000 1.078 386 L CA 0.629 55.521 54.840 0.087 0.000 0.749 386 L CB -0.333 41.756 42.059 0.049 0.000 0.901 386 L HN 0.026 nan 8.230 nan 0.000 0.433 387 L N -0.668 120.480 121.223 -0.126 0.000 2.093 387 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 387 L C 2.730 179.350 176.870 -0.416 0.000 1.085 387 L CA 0.842 55.416 54.840 -0.444 0.000 0.755 387 L CB -0.547 41.236 42.059 -0.460 0.000 0.904 387 L HN 0.320 nan 8.230 nan 0.000 0.435 388 E N 0.638 120.731 120.200 -0.177 0.000 2.077 388 E HA -0.268 4.081 4.350 -0.001 0.000 0.193 388 E C 1.613 178.194 176.600 -0.033 0.000 0.989 388 E CA 1.561 57.911 56.400 -0.084 0.000 0.800 388 E CB 0.026 29.704 29.700 -0.036 0.000 0.746 388 E HN 0.375 nan 8.360 nan 0.000 0.452 389 D N 0.057 120.460 120.400 0.006 0.000 2.097 389 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 389 D C 2.288 178.602 176.300 0.024 0.000 0.989 389 D CA 0.948 54.981 54.000 0.054 0.000 0.827 389 D CB -0.198 40.712 40.800 0.184 0.000 0.966 389 D HN 0.169 nan 8.370 nan 0.000 0.456 390 L N 0.002 121.224 121.223 -0.001 0.000 2.056 390 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 390 L C 2.229 179.239 176.870 0.234 0.000 1.078 390 L CA 1.288 56.172 54.840 0.074 0.000 0.749 390 L CB -0.497 41.554 42.059 -0.014 0.000 0.901 390 L HN 0.061 nan 8.230 nan 0.000 0.433 391 D N 0.034 120.515 120.400 0.136 0.000 2.106 391 D HA -0.256 4.383 4.640 -0.001 0.000 0.191 391 D C 2.202 178.654 176.300 0.253 0.000 0.997 391 D CA 1.859 56.057 54.000 0.330 0.000 0.834 391 D CB 0.040 40.978 40.800 0.230 0.000 0.956 391 D HN 0.436 nan 8.370 nan 0.000 0.448 392 Q N 0.203 120.088 119.800 0.142 0.000 2.119 392 Q HA 0.062 4.401 4.340 -0.001 0.000 0.201 392 Q C 2.046 178.104 176.000 0.097 0.000 0.972 392 Q CA 1.890 57.756 55.803 0.107 0.000 0.847 392 Q CB -0.772 28.000 28.738 0.057 0.000 0.903 392 Q HN 0.201 nan 8.270 nan 0.000 0.433 393 A N 1.050 123.918 122.820 0.081 0.000 1.898 393 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 393 A C 2.176 179.914 177.584 0.257 0.000 1.181 393 A CA 1.241 53.295 52.037 0.029 0.000 0.620 393 A CB -0.739 18.077 19.000 -0.306 0.000 0.819 393 A HN 0.389 nan 8.150 nan 0.000 0.442 394 L N -0.716 120.770 121.223 0.438 0.000 2.046 394 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 394 L C 2.572 179.509 176.870 0.112 0.000 1.077 394 L CA 1.656 56.747 54.840 0.418 0.000 0.747 394 L CB -0.391 41.966 42.059 0.497 0.000 0.896 394 L HN 0.340 nan 8.230 nan 0.000 0.432 395 K N -0.088 120.400 120.400 0.146 0.000 2.103 395 K HA -0.201 4.118 4.320 -0.001 0.000 0.207 395 K C 2.170 178.742 176.600 -0.047 0.000 1.048 395 K CA 1.482 57.795 56.287 0.043 0.000 0.930 395 K CB -0.275 32.317 32.500 0.154 0.000 0.716 395 K HN 0.320 nan 8.250 nan 0.000 0.444 396 A N 1.062 123.881 122.820 -0.001 0.000 1.969 396 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 396 A C 2.262 179.800 177.584 -0.076 0.000 1.169 396 A CA 1.739 53.759 52.037 -0.028 0.000 0.635 396 A CB -0.471 18.522 19.000 -0.010 0.000 0.810 396 A HN 0.341 nan 8.150 nan 0.000 0.445 397 A N -1.905 120.863 122.820 -0.086 0.000 1.970 397 A HA 0.052 4.372 4.320 -0.001 0.000 0.216 397 A C 0.983 178.301 177.584 -0.445 0.000 1.170 397 A CA 0.633 52.562 52.037 -0.180 0.000 0.645 397 A CB -0.208 18.745 19.000 -0.078 0.000 0.816 397 A HN 0.540 nan 8.150 nan 0.000 0.447 398 H N -0.275 118.532 119.070 -0.438 0.000 2.569 398 H HA 0.316 4.871 4.556 -0.001 0.000 0.247 398 H C -2.796 172.056 175.328 -0.794 0.000 1.346 398 H CA -1.891 53.659 56.048 -0.830 0.000 1.502 398 H CB 0.537 29.251 29.762 -1.747 0.000 1.512 398 H HN 0.293 nan 8.280 nan 0.000 0.502 399 P HA 0.000 nan 4.420 nan 0.000 0.216 399 P CA 0.000 63.033 63.100 -0.112 0.000 0.800 399 P CB 0.000 31.670 31.700 -0.050 0.000 0.726