REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3oae_1_B DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQLGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.638 177.584 0.090 0.000 1.274 20 A CA 0.000 52.065 52.037 0.047 0.000 0.836 20 A CB 0.000 19.034 19.000 0.056 0.000 0.831 21 V N 1.524 121.445 119.914 0.011 0.000 2.743 21 V HA 0.718 5.255 4.120 0.695 0.000 0.301 21 V C 0.411 176.422 176.094 -0.138 0.000 1.057 21 V CA 0.069 62.389 62.300 0.032 0.000 1.006 21 V CB 1.480 33.215 31.823 -0.147 0.000 1.024 21 V HN 1.594 nan 8.190 nan 0.000 0.473 22 V N 0.343 120.252 119.914 -0.009 0.000 3.078 22 V HA 0.714 5.251 4.120 0.695 0.000 0.311 22 V C -0.061 175.990 176.094 -0.071 0.000 1.138 22 V CA -0.775 61.403 62.300 -0.203 0.000 1.007 22 V CB 1.756 33.557 31.823 -0.037 0.000 1.045 22 V HN 0.832 nan 8.190 nan 0.000 0.432 23 S N 1.305 116.998 115.700 -0.012 0.000 2.563 23 S HA 0.110 4.997 4.470 0.695 0.000 0.284 23 S C 1.554 176.154 174.600 -0.000 0.000 1.331 23 S CA 0.499 58.795 58.200 0.161 0.000 1.047 23 S CB 0.868 64.164 63.200 0.160 0.000 0.859 23 S HN 1.705 nan 8.310 nan 0.000 0.514 24 T N 1.161 115.684 114.554 -0.051 0.000 2.962 24 T HA -0.075 4.692 4.350 0.695 0.000 0.270 24 T C 0.913 175.352 174.700 -0.435 0.000 1.088 24 T CA 1.226 63.057 62.100 -0.448 0.000 1.127 24 T CB -0.459 68.311 68.868 -0.164 0.000 0.883 24 T HN 0.662 nan 8.240 nan 0.000 0.493 25 D N 1.475 121.767 120.400 -0.181 0.000 2.263 25 D HA -0.065 4.991 4.640 0.695 0.000 0.208 25 D C 2.156 178.391 176.300 -0.109 0.000 0.971 25 D CA 0.692 54.622 54.000 -0.116 0.000 0.867 25 D CB -0.140 40.636 40.800 -0.039 0.000 0.929 25 D HN 0.560 nan 8.370 nan 0.000 0.492 26 E N 0.080 120.205 120.200 -0.125 0.000 2.028 26 E HA -0.152 4.615 4.350 0.695 0.000 0.191 26 E C 1.904 178.522 176.600 0.030 0.000 0.988 26 E CA 0.963 57.348 56.400 -0.025 0.000 0.799 26 E CB -0.194 29.533 29.700 0.045 0.000 0.755 26 E HN 0.582 nan 8.360 nan 0.000 0.447 27 Y N -1.289 119.010 120.300 -0.002 0.000 2.444 27 Y HA 0.377 5.344 4.550 0.695 0.000 0.249 27 Y C 0.547 176.501 175.900 0.090 0.000 1.134 27 Y CA -0.396 57.720 58.100 0.027 0.000 1.261 27 Y CB 0.243 38.700 38.460 -0.006 0.000 1.143 27 Y HN -0.332 nan 8.280 nan 0.000 0.523 28 V N 2.496 122.330 119.914 -0.133 0.000 2.370 28 V HA 0.722 5.259 4.120 0.695 0.000 0.279 28 V C 0.218 176.287 176.094 -0.041 0.000 1.029 28 V CA -1.068 61.212 62.300 -0.033 0.000 0.870 28 V CB 0.625 32.373 31.823 -0.125 0.000 0.984 28 V HN 0.415 nan 8.190 nan 0.000 0.451 29 A N 6.491 129.306 122.820 -0.007 0.000 2.310 29 A HA 0.711 5.448 4.320 0.695 0.000 0.299 29 A C 0.133 177.684 177.584 -0.056 0.000 1.147 29 A CA -0.655 51.370 52.037 -0.020 0.000 0.818 29 A CB 0.506 19.508 19.000 0.004 0.000 1.096 29 A HN 0.719 nan 8.150 nan 0.000 0.495 30 R N 1.832 122.298 120.500 -0.056 0.000 2.229 30 R HA 0.359 5.115 4.340 0.695 0.000 0.328 30 R C 0.498 176.738 176.300 -0.100 0.000 1.009 30 R CA -0.026 56.023 56.100 -0.084 0.000 0.864 30 R CB 1.177 31.446 30.300 -0.053 0.000 1.085 30 R HN 0.945 nan 8.270 nan 0.000 0.453 31 T N -1.703 112.746 114.554 -0.176 0.000 2.867 31 T HA 0.130 4.897 4.350 0.695 0.000 0.286 31 T C 0.828 175.398 174.700 -0.216 0.000 1.022 31 T CA -0.496 61.482 62.100 -0.203 0.000 0.933 31 T CB 0.958 69.606 68.868 -0.366 0.000 1.280 31 T HN 0.608 nan 8.240 nan 0.000 0.566 32 N N -0.826 117.764 118.700 -0.183 0.000 2.203 32 N HA 0.199 5.356 4.740 0.695 0.000 0.207 32 N C -0.115 175.343 175.510 -0.086 0.000 1.130 32 N CA -0.347 52.658 53.050 -0.076 0.000 0.861 32 N CB 0.099 38.601 38.487 0.025 0.000 1.005 32 N HN 0.499 nan 8.380 nan 0.000 0.507 33 I N 1.490 121.921 120.570 -0.233 0.000 2.428 33 I HA 0.192 4.778 4.170 0.695 0.000 0.289 33 I C -0.736 175.330 176.117 -0.085 0.000 1.019 33 I CA -0.183 61.088 61.300 -0.048 0.000 1.351 33 I CB -0.054 37.924 38.000 -0.036 0.000 1.412 33 I HN -0.029 nan 8.210 nan 0.000 0.513 34 Y N 5.001 125.439 120.300 0.230 0.000 2.442 34 Y HA 0.538 5.505 4.550 0.695 0.000 0.344 34 Y C -0.716 175.280 175.900 0.161 0.000 0.976 34 Y CA -0.653 57.577 58.100 0.217 0.000 1.040 34 Y CB 2.037 40.551 38.460 0.090 0.000 1.228 34 Y HN 0.339 nan 8.280 nan 0.000 0.451 35 Y N 1.545 121.946 120.300 0.167 0.000 2.485 35 Y HA 0.369 5.336 4.550 0.695 0.000 0.345 35 Y C -0.215 175.551 175.900 -0.225 0.000 0.998 35 Y CA -1.119 56.977 58.100 -0.007 0.000 1.059 35 Y CB 1.561 39.974 38.460 -0.078 0.000 1.234 35 Y HN 0.576 nan 8.280 nan 0.000 0.461 36 H N 1.741 120.659 119.070 -0.253 0.000 2.499 36 H HA 0.880 5.853 4.556 0.695 0.000 0.340 36 H C -1.650 173.325 175.328 -0.589 0.000 1.148 36 H CA -0.573 55.215 56.048 -0.433 0.000 1.215 36 H CB 1.650 31.092 29.762 -0.533 0.000 1.529 36 H HN 0.824 nan 8.280 nan 0.000 0.510 37 A N 2.471 124.655 122.820 -1.059 0.000 2.547 37 A HA 0.662 5.399 4.320 0.695 0.000 0.297 37 A C -0.959 176.331 177.584 -0.490 0.000 1.056 37 A CA -0.042 51.616 52.037 -0.631 0.000 0.688 37 A CB 1.781 20.350 19.000 -0.719 0.000 1.282 37 A HN 0.941 nan 8.150 nan 0.000 0.400 38 G N 0.118 108.825 108.800 -0.155 0.000 2.732 38 G HA2 0.668 5.044 3.960 0.695 0.000 0.296 38 G HA3 0.668 5.044 3.960 0.695 0.000 0.296 38 G C -0.380 174.546 174.900 0.044 0.000 1.448 38 G CA 0.251 45.336 45.100 -0.024 0.000 0.911 38 G HN 1.526 nan 8.290 nan 0.000 0.528 39 T N -1.144 113.428 114.554 0.030 0.000 2.898 39 T HA 0.417 5.184 4.350 0.695 0.000 0.301 39 T C 1.891 176.614 174.700 0.038 0.000 1.049 39 T CA 0.695 62.807 62.100 0.020 0.000 1.095 39 T CB 1.374 70.206 68.868 -0.060 0.000 0.976 39 T HN 1.315 nan 8.240 nan 0.000 0.539 40 S N 1.969 117.706 115.700 0.062 0.000 2.344 40 S HA -0.081 4.806 4.470 0.695 0.000 0.217 40 S C 0.976 175.607 174.600 0.051 0.000 1.033 40 S CA 0.620 58.863 58.200 0.072 0.000 1.017 40 S CB -0.456 62.793 63.200 0.082 0.000 0.941 40 S HN 1.052 nan 8.310 nan 0.000 0.430 41 R N 0.257 120.787 120.500 0.050 0.000 3.599 41 R HA 0.208 4.965 4.340 0.695 0.000 0.310 41 R C -1.955 174.395 176.300 0.083 0.000 1.004 41 R CA -0.289 55.837 56.100 0.042 0.000 1.105 41 R CB -0.095 30.232 30.300 0.046 0.000 1.350 41 R HN 0.411 nan 8.270 nan 0.000 0.412 42 L N 4.051 125.315 121.223 0.069 0.000 2.397 42 L HA 0.471 5.228 4.340 0.695 0.000 0.271 42 L C -0.263 176.768 176.870 0.268 0.000 1.148 42 L CA -0.702 54.245 54.840 0.178 0.000 0.825 42 L CB 0.702 42.704 42.059 -0.094 0.000 1.117 42 L HN 0.403 nan 8.230 nan 0.000 0.456 43 L N 2.666 124.127 121.223 0.396 0.000 2.431 43 L HA 0.791 5.548 4.340 0.695 0.000 0.266 43 L C -0.754 176.357 176.870 0.401 0.000 0.978 43 L CA -0.254 54.782 54.840 0.326 0.000 0.822 43 L CB 1.947 44.121 42.059 0.192 0.000 1.310 43 L HN 0.702 nan 8.230 nan 0.000 0.409 44 A N 4.080 127.113 122.820 0.356 0.000 2.375 44 A HA 0.835 5.571 4.320 0.695 0.000 0.295 44 A C -1.718 175.978 177.584 0.187 0.000 1.066 44 A CA -0.488 51.722 52.037 0.289 0.000 0.722 44 A CB 1.493 20.750 19.000 0.427 0.000 1.206 44 A HN 0.416 nan 8.150 nan 0.000 0.435 45 V N 1.466 121.450 119.914 0.115 0.000 2.709 45 V HA 0.960 5.497 4.120 0.695 0.000 0.308 45 V C 0.549 176.684 176.094 0.067 0.000 1.062 45 V CA 0.283 62.631 62.300 0.081 0.000 0.901 45 V CB 1.510 33.359 31.823 0.044 0.000 1.003 45 V HN 1.666 nan 8.190 nan 0.000 0.425 46 G N 1.389 110.231 108.800 0.069 0.000 2.427 46 G HA2 0.346 4.723 3.960 0.695 0.000 0.306 46 G HA3 0.346 4.723 3.960 0.695 0.000 0.306 46 G C -1.762 173.165 174.900 0.046 0.000 1.280 46 G CA -0.663 44.475 45.100 0.064 0.000 0.837 46 G HN 0.745 nan 8.290 nan 0.000 0.482 47 H N 1.854 120.886 119.070 -0.063 0.000 2.548 47 H HA 0.364 5.337 4.556 0.694 0.000 0.331 47 H C -1.357 173.834 175.328 -0.228 0.000 1.093 47 H CA -1.500 54.440 56.048 -0.181 0.000 1.367 47 H CB 2.464 32.076 29.762 -0.250 0.000 1.455 47 H HN 0.176 nan 8.280 nan 0.000 0.519 48 P HA -0.142 nan 4.420 nan 0.000 0.218 48 P C 0.627 177.888 177.300 -0.065 0.000 1.149 48 P CA 1.472 64.358 63.100 -0.356 0.000 0.817 48 P CB 0.175 31.482 31.700 -0.655 0.000 0.785 49 Y N -1.015 119.291 120.300 0.009 0.000 2.500 49 Y HA 0.218 5.183 4.550 0.692 0.000 0.284 49 Y C 1.154 177.047 175.900 -0.013 0.000 1.118 49 Y CA -0.752 57.320 58.100 -0.048 0.000 1.241 49 Y CB 0.229 38.644 38.460 -0.075 0.000 1.171 49 Y HN -0.118 nan 8.280 nan 0.000 0.540 50 F N -1.992 118.093 119.950 0.225 0.000 2.713 50 F HA 0.636 5.578 4.527 0.692 0.000 0.311 50 F C -3.440 172.323 175.800 -0.061 0.000 1.141 50 F CA -3.571 54.442 58.000 0.021 0.000 0.939 50 F CB 0.482 39.452 39.000 -0.051 0.000 1.325 50 F HN -0.390 nan 8.300 nan 0.000 0.453 51 P HA 0.380 nan 4.420 nan 0.000 0.284 51 P C -0.866 176.542 177.300 0.180 0.000 1.253 51 P CA -0.001 63.190 63.100 0.152 0.000 0.800 51 P CB 1.970 33.730 31.700 0.100 0.000 0.961 52 I N 3.736 124.382 120.570 0.127 0.000 2.325 52 I HA 0.273 4.859 4.170 0.695 0.000 0.291 52 I C 1.006 177.166 176.117 0.072 0.000 1.019 52 I CA 0.282 61.653 61.300 0.118 0.000 1.302 52 I CB 0.500 38.575 38.000 0.126 0.000 1.401 52 I HN 0.394 nan 8.210 nan 0.000 0.485 53 K N 4.367 124.797 120.400 0.050 0.000 2.439 53 K HA 0.601 5.338 4.320 0.695 0.000 0.260 53 K C -0.914 175.697 176.600 0.019 0.000 1.032 53 K CA -1.312 54.992 56.287 0.029 0.000 0.882 53 K CB 1.269 33.779 32.500 0.017 0.000 1.420 53 K HN 0.141 nan 8.250 nan 0.000 0.455 54 K N 1.900 122.308 120.400 0.013 0.000 2.379 54 K HA 0.111 4.848 4.320 0.695 0.000 0.284 54 K C -1.628 174.971 176.600 -0.002 0.000 1.044 54 K CA -1.711 54.580 56.287 0.008 0.000 0.974 54 K CB 0.732 33.236 32.500 0.007 0.000 0.962 54 K HN 0.333 nan 8.250 nan 0.000 0.474 55 P HA -0.242 nan 4.420 nan 0.000 0.214 55 P C 0.235 177.526 177.300 -0.014 0.000 1.163 55 P CA 1.975 65.066 63.100 -0.015 0.000 0.889 55 P CB -0.129 31.562 31.700 -0.015 0.000 0.790 56 N N -0.950 117.745 118.700 -0.009 0.000 2.244 56 N HA -0.117 5.040 4.740 0.695 0.000 0.183 56 N C 1.219 176.724 175.510 -0.008 0.000 1.016 56 N CA 0.695 53.740 53.050 -0.009 0.000 0.866 56 N CB -0.834 37.650 38.487 -0.006 0.000 0.980 56 N HN 0.109 nan 8.380 nan 0.000 0.430 57 N N 0.046 118.743 118.700 -0.006 0.000 2.593 57 N HA 0.172 5.329 4.740 0.695 0.000 0.304 57 N C -0.089 175.417 175.510 -0.007 0.000 1.296 57 N CA -0.295 52.752 53.050 -0.005 0.000 0.950 57 N CB 0.462 38.947 38.487 -0.002 0.000 1.127 57 N HN 0.376 nan 8.380 nan 0.000 0.587 58 N N -0.956 117.741 118.700 -0.006 0.000 2.036 58 N HA -0.014 5.143 4.740 0.695 0.000 0.228 58 N C -0.590 174.918 175.510 -0.003 0.000 1.368 58 N CA -0.201 52.845 53.050 -0.006 0.000 0.846 58 N CB 0.258 38.739 38.487 -0.009 0.000 1.145 58 N HN 0.413 nan 8.380 nan 0.000 0.502 59 K N 1.803 122.202 120.400 -0.002 0.000 2.401 59 K HA 0.176 4.913 4.320 0.695 0.000 0.278 59 K C -0.277 176.325 176.600 0.004 0.000 1.018 59 K CA -0.368 55.918 56.287 -0.001 0.000 0.981 59 K CB 0.546 33.045 32.500 -0.001 0.000 0.933 59 K HN 0.120 nan 8.250 nan 0.000 0.477 60 I N 4.995 125.568 120.570 0.004 0.000 2.379 60 I HA 0.030 4.617 4.170 0.695 0.000 0.290 60 I C 0.921 177.046 176.117 0.014 0.000 1.063 60 I CA -0.393 60.914 61.300 0.012 0.000 1.351 60 I CB 0.667 38.673 38.000 0.010 0.000 1.410 60 I HN 0.604 nan 8.210 nan 0.000 0.505 61 L N 7.086 128.324 121.223 0.024 0.000 2.168 61 L HA 0.293 5.050 4.340 0.695 0.000 0.203 61 L C 0.493 177.380 176.870 0.028 0.000 1.078 61 L CA 1.371 56.225 54.840 0.024 0.000 0.780 61 L CB 0.435 42.514 42.059 0.032 0.000 0.939 61 L HN 0.465 nan 8.230 nan 0.000 0.451 62 V N 1.546 121.485 119.914 0.042 0.000 2.623 62 V HA 0.442 4.979 4.120 0.695 0.000 0.304 62 V C -2.454 173.674 176.094 0.056 0.000 1.054 62 V CA -1.350 60.980 62.300 0.049 0.000 0.882 62 V CB 1.627 33.493 31.823 0.071 0.000 1.002 62 V HN 0.065 nan 8.190 nan 0.000 0.424 63 P HA 0.253 nan 4.420 nan 0.000 0.278 63 P C -1.049 176.291 177.300 0.067 0.000 1.258 63 P CA -0.728 62.398 63.100 0.044 0.000 0.811 63 P CB 1.357 33.065 31.700 0.013 0.000 1.063 64 K N 1.376 121.819 120.400 0.071 0.000 2.316 64 K HA 0.306 5.043 4.320 0.695 0.000 0.289 64 K C -1.247 175.396 176.600 0.072 0.000 1.070 64 K CA -0.353 55.984 56.287 0.082 0.000 0.928 64 K CB 0.051 32.609 32.500 0.098 0.000 1.039 64 K HN 0.217 nan 8.250 nan 0.000 0.480 65 V N 3.580 123.535 119.914 0.068 0.000 2.380 65 V HA 0.228 4.764 4.120 0.695 0.000 0.286 65 V C -0.439 175.656 176.094 0.002 0.000 1.015 65 V CA -0.731 61.623 62.300 0.090 0.000 0.834 65 V CB 1.196 33.110 31.823 0.152 0.000 1.009 65 V HN 0.812 nan 8.190 nan 0.000 0.428 66 S N 3.261 118.925 115.700 -0.061 0.000 2.570 66 S HA 0.658 5.545 4.470 0.695 0.000 0.286 66 S C 1.154 175.618 174.600 -0.228 0.000 1.099 66 S CA 0.189 58.220 58.200 -0.282 0.000 0.913 66 S CB 2.065 65.216 63.200 -0.082 0.000 1.085 66 S HN 0.914 nan 8.310 nan 0.000 0.480 67 G N 1.642 110.210 108.800 -0.388 0.000 2.679 67 G HA2 0.074 4.451 3.960 0.695 0.000 0.212 67 G HA3 0.074 4.451 3.960 0.695 0.000 0.212 67 G C 0.712 175.625 174.900 0.022 0.000 1.137 67 G CA 0.299 45.365 45.100 -0.056 0.000 0.787 67 G HN 0.644 nan 8.290 nan 0.000 0.534 68 L N 0.005 121.241 121.223 0.021 0.000 2.653 68 L HA 0.271 5.028 4.340 0.695 0.000 0.231 68 L C 0.992 177.878 176.870 0.026 0.000 1.153 68 L CA 0.020 54.893 54.840 0.054 0.000 0.933 68 L CB 0.174 42.319 42.059 0.144 0.000 1.175 68 L HN 0.217 nan 8.230 nan 0.000 0.473 69 Q N -1.420 118.405 119.800 0.041 0.000 2.215 69 Q HA 0.365 5.122 4.340 0.695 0.000 0.256 69 Q C -1.192 174.841 176.000 0.055 0.000 0.972 69 Q CA -0.863 54.989 55.803 0.081 0.000 0.889 69 Q CB 1.189 29.994 28.738 0.112 0.000 1.281 69 Q HN -0.009 nan 8.270 nan 0.000 0.456 70 Y N 0.424 120.755 120.300 0.051 0.000 2.304 70 Y HA 0.219 5.186 4.550 0.695 0.000 0.327 70 Y C 0.331 176.222 175.900 -0.015 0.000 1.209 70 Y CA -0.113 58.005 58.100 0.030 0.000 1.299 70 Y CB 0.878 39.344 38.460 0.011 0.000 1.249 70 Y HN 0.211 nan 8.280 nan 0.000 0.519 71 R N 2.415 122.955 120.500 0.066 0.000 2.371 71 R HA 0.409 5.165 4.340 0.695 0.000 0.312 71 R C -1.777 174.264 176.300 -0.431 0.000 0.980 71 R CA -0.669 55.270 56.100 -0.269 0.000 0.867 71 R CB 1.175 31.190 30.300 -0.476 0.000 1.163 71 R HN 0.413 nan 8.270 nan 0.000 0.492 72 V N 5.397 125.127 119.914 -0.307 0.000 2.313 72 V HA 0.407 4.944 4.120 0.695 0.000 0.278 72 V C -0.237 175.738 176.094 -0.199 0.000 1.017 72 V CA -0.666 61.560 62.300 -0.123 0.000 0.823 72 V CB 0.691 32.628 31.823 0.189 0.000 1.010 72 V HN 0.437 nan 8.190 nan 0.000 0.443 73 F N 3.869 123.876 119.950 0.094 0.000 2.411 73 F HA 0.525 5.468 4.527 0.694 0.000 0.355 73 F C 0.903 176.550 175.800 -0.255 0.000 1.117 73 F CA -0.534 57.451 58.000 -0.025 0.000 1.139 73 F CB 0.933 39.859 39.000 -0.123 0.000 1.120 73 F HN 0.243 nan 8.300 nan 0.000 0.493 74 R N 4.933 125.307 120.500 -0.211 0.000 2.287 74 R HA 0.300 5.057 4.340 0.695 0.000 0.327 74 R C -0.896 175.018 176.300 -0.642 0.000 1.109 74 R CA -0.491 55.127 56.100 -0.804 0.000 1.013 74 R CB 0.152 30.083 30.300 -0.616 0.000 1.126 74 R HN 0.516 nan 8.270 nan 0.000 0.503 75 I N 5.392 125.576 120.570 -0.643 0.000 2.337 75 I HA 0.158 4.744 4.170 0.695 0.000 0.291 75 I C 0.609 176.378 176.117 -0.581 0.000 1.046 75 I CA -0.425 60.589 61.300 -0.477 0.000 1.324 75 I CB 0.418 38.174 38.000 -0.408 0.000 1.409 75 I HN 0.241 nan 8.210 nan 0.000 0.494 76 H N 7.031 126.001 119.070 -0.167 0.000 2.517 76 H HA 0.504 5.476 4.556 0.695 0.000 0.317 76 H C -0.169 175.048 175.328 -0.185 0.000 1.080 76 H CA -0.478 55.483 56.048 -0.145 0.000 1.301 76 H CB 1.890 31.603 29.762 -0.082 0.000 1.425 76 H HN 0.418 nan 8.280 nan 0.000 0.471 77 L N 5.168 126.314 121.223 -0.129 0.000 2.331 77 L HA 0.375 5.132 4.340 0.695 0.000 0.275 77 L C -2.091 174.618 176.870 -0.270 0.000 1.022 77 L CA -2.185 52.462 54.840 -0.322 0.000 0.812 77 L CB 1.840 43.639 42.059 -0.434 0.000 1.257 77 L HN 0.365 nan 8.230 nan 0.000 0.435 78 P HA -0.018 nan 4.420 nan 0.000 0.271 78 P C -0.892 176.362 177.300 -0.077 0.000 1.216 78 P CA -0.255 62.689 63.100 -0.261 0.000 0.771 78 P CB 0.782 32.253 31.700 -0.382 0.000 0.864 79 D N 5.363 125.774 120.400 0.018 0.000 2.389 79 D HA -0.022 5.034 4.640 0.695 0.000 0.263 79 D C -0.962 175.351 176.300 0.023 0.000 1.255 79 D CA -1.737 52.299 54.000 0.060 0.000 0.914 79 D CB 0.567 41.427 40.800 0.099 0.000 1.116 79 D HN 0.234 nan 8.370 nan 0.000 0.502 80 P HA -0.158 nan 4.420 nan 0.000 0.221 80 P C 0.712 178.054 177.300 0.070 0.000 1.145 80 P CA 0.793 63.733 63.100 -0.267 0.000 0.795 80 P CB 0.461 31.605 31.700 -0.927 0.000 0.775 81 N N 0.130 118.852 118.700 0.037 0.000 2.300 81 N HA -0.072 5.085 4.740 0.695 0.000 0.179 81 N C 1.645 177.245 175.510 0.150 0.000 1.016 81 N CA 0.993 54.093 53.050 0.083 0.000 0.876 81 N CB -0.142 38.366 38.487 0.036 0.000 0.979 81 N HN 0.146 nan 8.380 nan 0.000 0.432 82 K N -0.096 120.389 120.400 0.141 0.000 2.314 82 K HA 0.135 4.872 4.320 0.695 0.000 0.198 82 K C 0.266 176.943 176.600 0.129 0.000 1.045 82 K CA -0.270 56.089 56.287 0.118 0.000 0.988 82 K CB -0.152 32.403 32.500 0.092 0.000 0.783 82 K HN -0.045 nan 8.250 nan 0.000 0.484 83 F N 0.378 120.303 119.950 -0.042 0.000 2.628 83 F HA 0.208 5.151 4.527 0.695 0.000 0.346 83 F C 1.032 176.747 175.800 -0.142 0.000 1.188 83 F CA 0.311 58.197 58.000 -0.189 0.000 1.376 83 F CB 0.498 39.242 39.000 -0.426 0.000 1.104 83 F HN 0.051 nan 8.300 nan 0.000 0.616 84 G N 4.875 113.163 108.800 -0.853 0.000 2.873 84 G HA2 0.442 4.819 3.960 0.695 0.000 0.340 84 G HA3 0.442 4.819 3.960 0.695 0.000 0.340 84 G C -1.326 173.304 174.900 -0.450 0.000 1.171 84 G CA -0.398 44.429 45.100 -0.455 0.000 1.113 84 G HN 0.378 nan 8.290 nan 0.000 0.471 85 F N 2.329 122.307 119.950 0.047 0.000 2.389 85 F HA 0.319 5.263 4.527 0.695 0.000 0.337 85 F C -0.085 175.818 175.800 0.173 0.000 1.112 85 F CA -1.958 56.178 58.000 0.227 0.000 1.192 85 F CB 1.409 40.671 39.000 0.437 0.000 1.185 85 F HN 0.287 nan 8.300 nan 0.000 0.552 86 P HA -0.137 nan 4.420 nan 0.000 0.217 86 P C -0.298 177.151 177.300 0.247 0.000 1.150 86 P CA 1.273 64.521 63.100 0.247 0.000 0.832 86 P CB 0.218 32.057 31.700 0.232 0.000 0.787 87 D N -1.036 119.567 120.400 0.339 0.000 2.481 87 D HA 0.317 5.373 4.640 0.695 0.000 0.244 87 D C 0.127 176.622 176.300 0.325 0.000 1.057 87 D CA -0.479 53.689 54.000 0.281 0.000 0.848 87 D CB 1.350 42.315 40.800 0.275 0.000 1.388 87 D HN -0.137 nan 8.370 nan 0.000 0.475 88 T N -1.062 113.547 114.554 0.093 0.000 3.275 88 T HA 0.112 4.879 4.350 0.695 0.000 0.298 88 T C 1.291 175.753 174.700 -0.398 0.000 0.988 88 T CA 0.176 62.154 62.100 -0.205 0.000 0.936 88 T CB -0.206 68.614 68.868 -0.080 0.000 1.159 88 T HN 0.245 nan 8.240 nan 0.000 0.519 89 S N 1.687 117.282 115.700 -0.176 0.000 2.461 89 S HA -0.026 4.861 4.470 0.695 0.000 0.228 89 S C 1.731 176.257 174.600 -0.123 0.000 1.005 89 S CA 0.159 58.278 58.200 -0.136 0.000 0.942 89 S CB -1.146 62.046 63.200 -0.013 0.000 0.776 89 S HN 0.640 nan 8.310 nan 0.000 0.514 90 F N 1.766 121.745 119.950 0.048 0.000 2.583 90 F HA 0.240 5.184 4.527 0.695 0.000 0.297 90 F C 0.525 176.391 175.800 0.110 0.000 1.131 90 F CA -0.741 57.286 58.000 0.044 0.000 1.467 90 F CB -1.293 37.703 39.000 -0.008 0.000 1.097 90 F HN 0.476 nan 8.300 nan 0.000 0.586 91 Y N -1.457 118.528 120.300 -0.525 0.000 2.656 91 Y HA 0.459 5.426 4.550 0.695 0.000 0.334 91 Y C -1.483 174.234 175.900 -0.305 0.000 1.179 91 Y CA -1.837 56.072 58.100 -0.318 0.000 1.050 91 Y CB 0.700 39.001 38.460 -0.266 0.000 1.308 91 Y HN -0.150 nan 8.280 nan 0.000 0.456 92 N N 3.929 122.363 118.700 -0.444 0.000 2.501 92 N HA 0.313 5.469 4.740 0.695 0.000 0.245 92 N C -2.176 172.969 175.510 -0.609 0.000 0.974 92 N CA -2.620 50.124 53.050 -0.511 0.000 0.941 92 N CB 1.606 39.956 38.487 -0.229 0.000 1.122 92 N HN 0.573 nan 8.380 nan 0.000 0.507 93 P HA -0.021 nan 4.420 nan 0.000 0.236 93 P C -0.296 176.870 177.300 -0.225 0.000 1.172 93 P CA 0.787 63.581 63.100 -0.511 0.000 0.759 93 P CB 0.677 32.089 31.700 -0.479 0.000 0.843 94 D N -0.600 119.677 120.400 -0.205 0.000 2.369 94 D HA -0.060 4.997 4.640 0.695 0.000 0.231 94 D C 2.032 178.281 176.300 -0.084 0.000 0.967 94 D CA 1.609 55.537 54.000 -0.120 0.000 0.905 94 D CB -0.857 39.876 40.800 -0.111 0.000 1.044 94 D HN 0.181 nan 8.370 nan 0.000 0.487 95 T N -1.395 113.108 114.554 -0.086 0.000 3.035 95 T HA 0.027 4.794 4.350 0.695 0.000 0.259 95 T C 1.005 175.683 174.700 -0.037 0.000 1.078 95 T CA 0.193 62.264 62.100 -0.049 0.000 1.132 95 T CB -0.030 68.814 68.868 -0.040 0.000 0.900 95 T HN 0.229 nan 8.240 nan 0.000 0.480 96 Q N -0.325 119.450 119.800 -0.041 0.000 2.633 96 Q HA 0.721 5.478 4.340 0.695 0.000 0.292 96 Q C -1.046 174.904 176.000 -0.083 0.000 1.089 96 Q CA -1.373 54.413 55.803 -0.029 0.000 0.811 96 Q CB 1.785 30.552 28.738 0.049 0.000 1.472 96 Q HN -0.068 nan 8.270 nan 0.000 0.464 97 R N -0.171 120.171 120.500 -0.263 0.000 2.855 97 R HA 0.648 5.405 4.340 0.695 0.000 0.266 97 R C -0.938 175.054 176.300 -0.513 0.000 1.034 97 R CA -0.842 54.908 56.100 -0.583 0.000 0.944 97 R CB 1.544 30.927 30.300 -1.529 0.000 1.219 97 R HN 0.656 nan 8.270 nan 0.000 0.474 98 L N 0.861 121.762 121.223 -0.538 0.000 2.342 98 L HA 0.733 5.490 4.340 0.695 0.000 0.271 98 L C -0.552 176.187 176.870 -0.217 0.000 1.008 98 L CA -1.138 53.443 54.840 -0.432 0.000 0.818 98 L CB 2.144 43.856 42.059 -0.577 0.000 1.296 98 L HN 0.169 nan 8.230 nan 0.000 0.427 99 V N -0.362 119.424 119.914 -0.214 0.000 2.925 99 V HA 0.386 4.923 4.120 0.695 0.000 0.311 99 V C -1.204 174.755 176.094 -0.226 0.000 1.104 99 V CA -0.863 61.379 62.300 -0.097 0.000 0.954 99 V CB 2.097 33.929 31.823 0.016 0.000 1.022 99 V HN 0.650 nan 8.190 nan 0.000 0.427 100 W N 1.657 122.907 121.300 -0.082 0.000 2.315 100 W HA 0.700 5.777 4.660 0.695 0.000 0.316 100 W C 0.253 176.752 176.519 -0.032 0.000 1.211 100 W CA -0.328 56.973 57.345 -0.074 0.000 1.201 100 W CB 1.498 30.858 29.460 -0.167 0.000 1.184 100 W HN 0.735 nan 8.180 nan 0.000 0.544 101 A N 3.219 126.249 122.820 0.349 0.000 2.318 101 A HA 0.463 5.200 4.320 0.695 0.000 0.317 101 A C -1.034 176.686 177.584 0.227 0.000 1.159 101 A CA -0.663 51.462 52.037 0.148 0.000 0.799 101 A CB 0.738 19.738 19.000 0.001 0.000 1.194 101 A HN 0.749 nan 8.150 nan 0.000 0.479 102 C N 3.351 122.724 119.300 0.122 0.000 2.566 102 C HA 0.452 5.329 4.460 0.695 0.000 0.393 102 C C 1.111 176.037 174.990 -0.107 0.000 1.309 102 C CA 0.092 59.068 59.018 -0.070 0.000 1.801 102 C CB -1.000 26.772 27.740 0.054 0.000 2.493 102 C HN 0.676 nan 8.230 nan 0.000 0.575 103 V N 5.304 125.131 119.914 -0.144 0.000 3.612 103 V HA 0.401 4.938 4.120 0.695 0.000 0.268 103 V C 1.174 177.311 176.094 0.072 0.000 1.365 103 V CA 0.761 63.056 62.300 -0.009 0.000 1.044 103 V CB -0.006 31.858 31.823 0.069 0.000 0.820 103 V HN 1.028 nan 8.190 nan 0.000 0.444 104 G N -0.277 108.470 108.800 -0.088 0.000 2.753 104 G HA2 0.608 4.985 3.960 0.695 0.000 0.297 104 G HA3 0.608 4.985 3.960 0.695 0.000 0.297 104 G C -1.909 172.786 174.900 -0.341 0.000 1.430 104 G CA -0.291 44.780 45.100 -0.049 0.000 1.040 104 G HN -0.110 nan 8.290 nan 0.000 0.530 105 V N 1.253 120.872 119.914 -0.493 0.000 2.841 105 V HA 0.657 5.193 4.120 0.695 0.000 0.310 105 V C -0.872 174.734 176.094 -0.814 0.000 1.090 105 V CA -0.824 61.095 62.300 -0.634 0.000 0.930 105 V CB 2.275 33.878 31.823 -0.367 0.000 1.014 105 V HN 0.746 nan 8.190 nan 0.000 0.425 106 E N 2.462 122.183 120.200 -0.798 0.000 2.316 106 E HA 0.363 5.130 4.350 0.695 0.000 0.254 106 E C -1.555 174.725 176.600 -0.532 0.000 0.902 106 E CA -0.320 55.659 56.400 -0.703 0.000 0.801 106 E CB 2.264 31.659 29.700 -0.507 0.000 1.270 106 E HN 0.448 nan 8.360 nan 0.000 0.414 107 V N 3.354 123.030 119.914 -0.396 0.000 2.338 107 V HA 0.267 4.803 4.120 0.695 0.000 0.255 107 V C 0.815 176.842 176.094 -0.111 0.000 1.082 107 V CA -0.362 61.847 62.300 -0.151 0.000 0.951 107 V CB 0.812 32.733 31.823 0.163 0.000 1.102 107 V HN 0.614 nan 8.190 nan 0.000 0.489 108 G N 5.664 114.361 108.800 -0.171 0.000 2.390 108 G HA2 0.516 4.893 3.960 0.695 0.000 0.270 108 G HA3 0.516 4.893 3.960 0.695 0.000 0.270 108 G C -0.197 174.576 174.900 -0.211 0.000 1.211 108 G CA -0.530 44.482 45.100 -0.147 0.000 0.842 108 G HN 0.483 nan 8.290 nan 0.000 0.519 109 R N 0.993 121.370 120.500 -0.206 0.000 2.740 109 R HA 0.556 5.313 4.340 0.695 0.000 0.282 109 R C 0.522 176.707 176.300 -0.192 0.000 0.969 109 R CA -0.581 55.323 56.100 -0.326 0.000 0.918 109 R CB 2.153 32.252 30.300 -0.335 0.000 1.175 109 R HN 0.614 nan 8.270 nan 0.000 0.464 110 G N 0.547 109.230 108.800 -0.195 0.000 3.342 110 G HA2 0.014 4.391 3.960 0.695 0.000 0.252 110 G HA3 0.014 4.391 3.960 0.695 0.000 0.252 110 G C 0.092 174.941 174.900 -0.085 0.000 1.011 110 G CA -0.012 45.021 45.100 -0.112 0.000 0.869 110 G HN 0.213 nan 8.290 nan 0.000 0.514 111 Q N 0.716 120.457 119.800 -0.097 0.000 2.185 111 Q HA 0.360 5.116 4.340 0.695 0.000 0.225 111 Q C -2.314 173.654 176.000 -0.053 0.000 0.983 111 Q CA -1.617 54.142 55.803 -0.074 0.000 0.950 111 Q CB 1.324 30.006 28.738 -0.094 0.000 1.176 111 Q HN 0.130 nan 8.270 nan 0.000 0.510 112 P HA 0.145 nan 4.420 nan 0.000 0.274 112 P C -0.483 176.811 177.300 -0.010 0.000 1.231 112 P CA -0.502 62.584 63.100 -0.022 0.000 0.790 112 P CB 0.594 32.282 31.700 -0.020 0.000 0.951 113 L N 1.357 122.583 121.223 0.005 0.000 2.485 113 L HA 0.499 5.256 4.340 0.695 0.000 0.275 113 L C 1.265 178.150 176.870 0.025 0.000 1.207 113 L CA 1.505 56.359 54.840 0.024 0.000 0.855 113 L CB -0.446 41.632 42.059 0.032 0.000 1.114 113 L HN 0.789 nan 8.230 nan 0.000 0.485 114 G N 1.650 110.475 108.800 0.040 0.000 2.368 114 G HA2 0.515 4.892 3.960 0.695 0.000 0.293 114 G HA3 0.515 4.892 3.960 0.695 0.000 0.293 114 G C -2.146 172.791 174.900 0.062 0.000 1.467 114 G CA -0.644 44.482 45.100 0.042 0.000 0.804 114 G HN 0.358 nan 8.290 nan 0.000 0.535 115 V N 0.568 120.518 119.914 0.059 0.000 2.495 115 V HA 0.784 5.321 4.120 0.695 0.000 0.298 115 V C 1.205 177.338 176.094 0.064 0.000 1.031 115 V CA 0.270 62.611 62.300 0.068 0.000 0.871 115 V CB 1.183 33.042 31.823 0.061 0.000 0.988 115 V HN 1.245 nan 8.190 nan 0.000 0.432 116 G N 2.951 111.796 108.800 0.075 0.000 2.514 116 G HA2 0.667 5.044 3.960 0.695 0.000 0.245 116 G HA3 0.667 5.044 3.960 0.695 0.000 0.245 116 G C -0.535 174.379 174.900 0.023 0.000 1.488 116 G CA -0.243 44.894 45.100 0.063 0.000 1.063 116 G HN 0.813 nan 8.290 nan 0.000 0.557 117 I N -1.907 118.665 120.570 0.004 0.000 2.661 117 I HA 0.356 4.942 4.170 0.695 0.000 0.290 117 I C -1.518 174.578 176.117 -0.036 0.000 1.734 117 I CA -0.377 60.891 61.300 -0.053 0.000 1.018 117 I CB 1.356 39.359 38.000 0.005 0.000 1.532 117 I HN 0.512 nan 8.210 nan 0.000 0.488 118 S N 4.079 119.609 115.700 -0.283 0.000 2.549 118 S HA 0.979 5.866 4.470 0.695 0.000 0.280 118 S C -0.280 174.109 174.600 -0.351 0.000 1.109 118 S CA -0.196 57.761 58.200 -0.405 0.000 0.905 118 S CB 2.001 64.835 63.200 -0.610 0.000 1.081 118 S HN 1.003 nan 8.310 nan 0.000 0.477 119 G N 0.674 109.247 108.800 -0.379 0.000 2.911 119 G HA2 0.654 5.031 3.960 0.695 0.000 0.299 119 G HA3 0.654 5.031 3.960 0.695 0.000 0.299 119 G C -2.006 172.817 174.900 -0.128 0.000 1.283 119 G CA -0.342 44.664 45.100 -0.157 0.000 0.805 119 G HN 0.639 nan 8.290 nan 0.000 0.548 120 H N -0.513 118.498 119.070 -0.098 0.000 3.026 120 H HA 0.391 5.363 4.556 0.694 0.000 0.352 120 H C -2.292 173.015 175.328 -0.035 0.000 1.090 120 H CA -1.411 54.591 56.048 -0.076 0.000 1.268 120 H CB 2.849 32.559 29.762 -0.087 0.000 1.816 120 H HN 0.116 nan 8.280 nan 0.000 0.518 121 P HA 0.042 nan 4.420 nan 0.000 0.223 121 P C 0.244 177.650 177.300 0.177 0.000 1.151 121 P CA 0.963 64.171 63.100 0.181 0.000 0.787 121 P CB 0.464 32.230 31.700 0.110 0.000 0.788 122 L N -1.171 120.219 121.223 0.278 0.000 2.783 122 L HA 0.285 5.042 4.340 0.695 0.000 0.265 122 L C -0.288 176.348 176.870 -0.391 0.000 1.398 122 L CA -0.760 54.043 54.840 -0.062 0.000 0.802 122 L CB 0.633 42.670 42.059 -0.035 0.000 1.126 122 L HN -0.098 nan 8.230 nan 0.000 0.529 123 L N 1.037 122.108 121.223 -0.252 0.000 2.416 123 L HA 0.235 4.992 4.340 0.695 0.000 0.272 123 L C 0.782 177.543 176.870 -0.182 0.000 1.161 123 L CA 0.267 54.947 54.840 -0.266 0.000 0.845 123 L CB 0.620 42.652 42.059 -0.045 0.000 1.119 123 L HN 0.225 nan 8.230 nan 0.000 0.464 124 N N 4.803 123.375 118.700 -0.214 0.000 2.498 124 N HA 0.050 5.206 4.740 0.695 0.000 0.277 124 N C -1.050 174.447 175.510 -0.022 0.000 1.208 124 N CA 0.277 53.241 53.050 -0.143 0.000 1.029 124 N CB -0.224 38.156 38.487 -0.179 0.000 1.403 124 N HN 0.421 nan 8.380 nan 0.000 0.500 125 K N 4.711 125.121 120.400 0.017 0.000 2.616 125 K HA 0.118 4.855 4.320 0.695 0.000 0.241 125 K C -0.015 176.547 176.600 -0.064 0.000 0.961 125 K CA -0.567 55.765 56.287 0.074 0.000 0.942 125 K CB 0.909 33.362 32.500 -0.079 0.000 1.153 125 K HN 0.292 nan 8.250 nan 0.000 0.452 126 L N 3.798 125.016 121.223 -0.008 0.000 1.868 126 L HA 0.053 4.810 4.340 0.695 0.000 0.222 126 L C -0.047 176.757 176.870 -0.111 0.000 1.108 126 L CA 1.770 56.579 54.840 -0.051 0.000 0.822 126 L CB -0.186 41.860 42.059 -0.021 0.000 0.891 126 L HN 0.775 nan 8.230 nan 0.000 0.441 127 D N -1.835 118.515 120.400 -0.083 0.000 2.414 127 D HA 0.244 5.300 4.640 0.695 0.000 0.241 127 D C -1.173 175.093 176.300 -0.056 0.000 1.008 127 D CA -0.695 53.245 54.000 -0.101 0.000 1.001 127 D CB 0.341 41.096 40.800 -0.076 0.000 1.277 127 D HN 0.113 nan 8.370 nan 0.000 0.538 128 D N -0.172 120.213 120.400 -0.025 0.000 2.338 128 D HA 0.078 5.135 4.640 0.695 0.000 0.255 128 D C 0.597 176.974 176.300 0.128 0.000 1.237 128 D CA -0.020 54.065 54.000 0.141 0.000 0.883 128 D CB 0.843 41.708 40.800 0.109 0.000 1.087 128 D HN 0.481 nan 8.370 nan 0.000 0.485 129 T N 0.103 114.763 114.554 0.177 0.000 3.086 129 T HA 0.034 4.801 4.350 0.695 0.000 0.250 129 T C 1.242 175.964 174.700 0.036 0.000 1.074 129 T CA -0.140 62.026 62.100 0.110 0.000 0.988 129 T CB 0.147 69.140 68.868 0.209 0.000 0.988 129 T HN 0.466 nan 8.240 nan 0.000 0.530 130 E N 1.614 121.842 120.200 0.047 0.000 2.274 130 E HA -0.074 4.693 4.350 0.695 0.000 0.194 130 E C 0.125 176.730 176.600 0.009 0.000 0.996 130 E CA 0.379 56.781 56.400 0.004 0.000 0.840 130 E CB 0.198 29.916 29.700 0.030 0.000 0.772 130 E HN 0.489 nan 8.360 nan 0.000 0.491 131 N N -0.676 118.041 118.700 0.029 0.000 3.343 131 N HA 0.203 5.359 4.740 0.695 0.000 0.225 131 N C -2.125 173.403 175.510 0.029 0.000 1.096 131 N CA 0.043 53.107 53.050 0.024 0.000 1.040 131 N CB 1.382 39.885 38.487 0.026 0.000 1.611 131 N HN 0.084 nan 8.380 nan 0.000 0.689 132 A N 1.740 124.574 122.820 0.024 0.000 2.393 132 A HA 0.611 5.348 4.320 0.695 0.000 0.306 132 A C 0.739 178.341 177.584 0.031 0.000 1.050 132 A CA -0.094 51.956 52.037 0.020 0.000 0.724 132 A CB 0.974 19.975 19.000 0.001 0.000 1.248 132 A HN 0.741 nan 8.150 nan 0.000 0.424 133 S N 0.610 116.328 115.700 0.030 0.000 2.503 133 S HA 0.526 5.412 4.470 0.695 0.000 0.217 133 S C 0.719 175.349 174.600 0.050 0.000 0.999 133 S CA 0.644 58.865 58.200 0.036 0.000 0.914 133 S CB 0.012 63.230 63.200 0.029 0.000 0.782 133 S HN 1.992 nan 8.310 nan 0.000 0.520 134 A N 0.100 122.954 122.820 0.057 0.000 2.606 134 A HA 0.622 5.359 4.320 0.695 0.000 0.293 134 A C -1.535 176.117 177.584 0.114 0.000 1.082 134 A CA -0.816 51.275 52.037 0.090 0.000 0.685 134 A CB 0.300 19.341 19.000 0.069 0.000 1.284 134 A HN 0.184 nan 8.150 nan 0.000 0.408 135 Y N 1.616 121.926 120.300 0.017 0.000 2.632 135 Y HA 0.343 5.310 4.550 0.695 0.000 0.329 135 Y C 1.123 177.031 175.900 0.013 0.000 1.174 135 Y CA 1.041 59.151 58.100 0.017 0.000 1.469 135 Y CB 0.429 38.898 38.460 0.015 0.000 1.242 135 Y HN 0.970 nan 8.280 nan 0.000 0.540 136 A N 4.857 127.544 122.820 -0.223 0.000 2.507 136 A HA 0.403 5.140 4.320 0.695 0.000 0.235 136 A C 0.977 178.541 177.584 -0.033 0.000 1.070 136 A CA 0.061 52.021 52.037 -0.127 0.000 0.768 136 A CB -0.380 18.507 19.000 -0.188 0.000 1.011 136 A HN 1.111 nan 8.150 nan 0.000 0.502 137 A N 1.727 124.540 122.820 -0.011 0.000 3.291 137 A HA 0.138 4.875 4.320 0.695 0.000 0.157 137 A C 0.722 178.320 177.584 0.023 0.000 0.779 137 A CA 1.505 53.552 52.037 0.017 0.000 1.190 137 A CB -0.432 18.569 19.000 0.002 0.000 0.838 137 A HN 0.954 nan 8.150 nan 0.000 0.524 138 N N -2.505 116.201 118.700 0.009 0.000 2.369 138 N HA 0.492 5.649 4.740 0.695 0.000 0.287 138 N C -1.033 174.474 175.510 -0.005 0.000 1.067 138 N CA -0.154 52.902 53.050 0.011 0.000 0.888 138 N CB 1.804 40.304 38.487 0.022 0.000 1.616 138 N HN 0.801 nan 8.380 nan 0.000 0.482 139 A N 1.495 124.308 122.820 -0.011 0.000 2.545 139 A HA 0.383 5.119 4.320 0.695 0.000 0.253 139 A C 0.936 178.512 177.584 -0.014 0.000 1.074 139 A CA 0.592 52.618 52.037 -0.018 0.000 0.760 139 A CB -0.173 18.814 19.000 -0.022 0.000 1.005 139 A HN 0.762 nan 8.150 nan 0.000 0.506 140 G N 0.924 109.714 108.800 -0.016 0.000 3.411 140 G HA2 0.461 4.838 3.960 0.695 0.000 0.186 140 G HA3 0.461 4.838 3.960 0.695 0.000 0.186 140 G C -0.296 174.594 174.900 -0.017 0.000 1.766 140 G CA 0.201 45.293 45.100 -0.014 0.000 0.971 140 G HN 0.954 nan 8.290 nan 0.000 0.590 141 V N 1.081 120.984 119.914 -0.018 0.000 2.409 141 V HA 0.425 4.962 4.120 0.695 0.000 0.291 141 V C -0.603 175.476 176.094 -0.024 0.000 1.020 141 V CA -0.450 61.838 62.300 -0.020 0.000 0.848 141 V CB 1.216 33.029 31.823 -0.016 0.000 0.990 141 V HN 0.738 nan 8.190 nan 0.000 0.430 142 D N 3.892 124.273 120.400 -0.030 0.000 3.763 142 D HA -0.186 4.870 4.640 0.695 0.000 0.232 142 D C 0.331 176.608 176.300 -0.038 0.000 1.108 142 D CA 0.669 54.647 54.000 -0.036 0.000 1.117 142 D CB -0.449 40.331 40.800 -0.032 0.000 0.846 142 D HN 0.857 nan 8.370 nan 0.000 0.405 143 N N 1.609 120.282 118.700 -0.045 0.000 2.238 143 N HA 0.100 5.257 4.740 0.695 0.000 0.222 143 N C 0.091 175.564 175.510 -0.061 0.000 1.133 143 N CA -0.380 52.641 53.050 -0.049 0.000 0.854 143 N CB 0.441 38.898 38.487 -0.049 0.000 1.041 143 N HN 0.254 nan 8.380 nan 0.000 0.510 144 R N 1.287 121.748 120.500 -0.065 0.000 2.640 144 R HA 0.071 4.827 4.340 0.695 0.000 0.270 144 R C 0.035 176.294 176.300 -0.067 0.000 1.024 144 R CA 0.448 56.500 56.100 -0.079 0.000 1.085 144 R CB 0.434 30.676 30.300 -0.097 0.000 0.963 144 R HN 0.191 nan 8.270 nan 0.000 0.426 145 E N 1.079 121.236 120.200 -0.073 0.000 2.299 145 E HA 0.127 4.894 4.350 0.695 0.000 0.265 145 E C -0.872 175.715 176.600 -0.022 0.000 0.911 145 E CA -0.821 55.544 56.400 -0.058 0.000 0.789 145 E CB 2.193 31.834 29.700 -0.099 0.000 1.246 145 E HN 0.515 nan 8.360 nan 0.000 0.427 146 C N 3.551 122.850 119.300 -0.001 0.000 2.383 146 C HA 0.477 5.354 4.460 0.695 0.000 0.350 146 C C -0.093 174.916 174.990 0.032 0.000 1.173 146 C CA -0.208 58.829 59.018 0.033 0.000 1.645 146 C CB -2.161 25.600 27.740 0.034 0.000 2.221 146 C HN 0.416 nan 8.230 nan 0.000 0.528 147 I N 6.063 126.667 120.570 0.056 0.000 2.647 147 I HA 0.463 5.050 4.170 0.695 0.000 0.295 147 I C 0.145 176.314 176.117 0.087 0.000 1.078 147 I CA -0.018 61.328 61.300 0.077 0.000 1.048 147 I CB 2.496 40.559 38.000 0.105 0.000 1.239 147 I HN 0.687 nan 8.210 nan 0.000 0.421 148 S N 6.418 122.167 115.700 0.080 0.000 2.677 148 S HA 0.941 5.828 4.470 0.695 0.000 0.304 148 S C -0.613 174.027 174.600 0.066 0.000 1.108 148 S CA -0.748 57.476 58.200 0.040 0.000 0.944 148 S CB 2.534 65.743 63.200 0.016 0.000 1.127 148 S HN 0.703 nan 8.310 nan 0.000 0.511 149 M N -0.209 119.387 119.600 -0.007 0.000 2.682 149 M HA 0.498 5.394 4.480 0.695 0.000 0.272 149 M C -2.422 173.817 176.300 -0.102 0.000 1.232 149 M CA -0.776 54.529 55.300 0.009 0.000 0.849 149 M CB 2.047 34.715 32.600 0.114 0.000 1.695 149 M HN 0.704 nan 8.290 nan 0.000 0.481 150 D N 1.666 122.036 120.400 -0.051 0.000 2.373 150 D HA 0.337 5.394 4.640 0.695 0.000 0.227 150 D C -0.837 175.490 176.300 0.045 0.000 1.091 150 D CA -0.262 53.709 54.000 -0.048 0.000 0.840 150 D CB 0.710 41.503 40.800 -0.011 0.000 1.060 150 D HN 0.672 nan 8.370 nan 0.000 0.502 151 Y N 1.114 121.435 120.300 0.035 0.000 2.554 151 Y HA -0.140 4.828 4.550 0.697 0.000 0.353 151 Y C 1.675 177.576 175.900 0.002 0.000 1.269 151 Y CA -0.555 57.566 58.100 0.035 0.000 1.494 151 Y CB 0.805 39.305 38.460 0.067 0.000 1.365 151 Y HN 0.355 nan 8.280 nan 0.000 0.664 152 K N 2.220 122.721 120.400 0.168 0.000 2.350 152 K HA 0.069 4.806 4.320 0.695 0.000 0.279 152 K C -0.590 176.070 176.600 0.100 0.000 1.027 152 K CA -0.580 55.751 56.287 0.074 0.000 0.969 152 K CB 0.816 33.330 32.500 0.023 0.000 0.954 152 K HN 0.616 nan 8.250 nan 0.000 0.474 153 Q N 2.211 122.066 119.800 0.093 0.000 2.337 153 Q HA 0.080 4.837 4.340 0.695 0.000 0.270 153 Q C -1.119 174.940 176.000 0.098 0.000 1.002 153 Q CA 0.344 56.208 55.803 0.101 0.000 0.888 153 Q CB 0.874 29.670 28.738 0.097 0.000 1.222 153 Q HN 0.737 nan 8.270 nan 0.000 0.400 154 T N 4.552 119.170 114.554 0.106 0.000 3.032 154 T HA 0.335 5.102 4.350 0.695 0.000 0.312 154 T C -1.363 173.421 174.700 0.139 0.000 1.078 154 T CA -0.675 61.491 62.100 0.110 0.000 1.028 154 T CB 1.505 70.427 68.868 0.090 0.000 1.091 154 T HN 0.583 nan 8.240 nan 0.000 0.457 155 Q N 2.404 122.292 119.800 0.146 0.000 2.304 155 Q HA 0.727 5.484 4.340 0.695 0.000 0.270 155 Q C -1.375 174.730 176.000 0.176 0.000 1.035 155 Q CA -1.014 54.918 55.803 0.215 0.000 0.781 155 Q CB 2.447 31.246 28.738 0.102 0.000 1.261 155 Q HN 0.617 nan 8.270 nan 0.000 0.444 156 L N -0.893 120.499 121.223 0.281 0.000 2.582 156 L HA 0.881 5.638 4.340 0.695 0.000 0.257 156 L C -1.622 175.437 176.870 0.315 0.000 0.974 156 L CA -0.753 54.219 54.840 0.220 0.000 0.851 156 L CB 2.041 44.217 42.059 0.194 0.000 1.424 156 L HN 0.659 nan 8.230 nan 0.000 0.412 157 C N 2.955 122.395 119.300 0.234 0.000 2.599 157 C HA 0.810 5.687 4.460 0.695 0.000 0.354 157 C C -1.117 173.988 174.990 0.191 0.000 1.092 157 C CA -0.441 58.749 59.018 0.287 0.000 1.280 157 C CB 0.323 28.282 27.740 0.365 0.000 1.829 157 C HN 0.876 nan 8.230 nan 0.000 0.454 158 L N 6.858 128.206 121.223 0.208 0.000 2.346 158 L HA 0.740 5.497 4.340 0.695 0.000 0.276 158 L C -0.397 176.586 176.870 0.188 0.000 1.006 158 L CA -0.592 54.337 54.840 0.149 0.000 0.817 158 L CB 1.566 43.651 42.059 0.044 0.000 1.272 158 L HN 0.515 nan 8.230 nan 0.000 0.421 159 I N 1.699 122.378 120.570 0.181 0.000 2.533 159 I HA 0.826 5.413 4.170 0.695 0.000 0.290 159 I C 0.117 176.029 176.117 -0.342 0.000 1.056 159 I CA -0.401 60.973 61.300 0.123 0.000 1.057 159 I CB 2.189 40.416 38.000 0.379 0.000 1.240 159 I HN 0.760 nan 8.210 nan 0.000 0.423 160 G N 2.486 110.967 108.800 -0.531 0.000 2.548 160 G HA2 0.345 4.722 3.960 0.695 0.000 0.301 160 G HA3 0.345 4.722 3.960 0.695 0.000 0.301 160 G C -0.340 174.335 174.900 -0.376 0.000 1.349 160 G CA -0.250 44.188 45.100 -1.104 0.000 0.792 160 G HN 0.747 nan 8.290 nan 0.000 0.481 161 C N -1.003 118.236 119.300 -0.101 0.000 2.855 161 C HA 0.651 5.528 4.460 0.695 0.000 0.279 161 C C 0.166 175.308 174.990 0.253 0.000 1.270 161 C CA -0.907 58.250 59.018 0.230 0.000 1.702 161 C CB -1.328 26.629 27.740 0.361 0.000 1.949 161 C HN 0.344 nan 8.230 nan 0.000 0.618 162 K N 1.885 122.309 120.400 0.040 0.000 2.435 162 K HA 0.587 5.324 4.320 0.695 0.000 0.251 162 K C -2.951 173.162 176.600 -0.811 0.000 0.954 162 K CA -1.741 54.418 56.287 -0.213 0.000 0.820 162 K CB 1.943 34.361 32.500 -0.136 0.000 1.292 162 K HN -0.034 nan 8.250 nan 0.000 0.436 163 P HA 0.099 nan 4.420 nan 0.000 0.269 163 P C -2.452 174.427 177.300 -0.702 0.000 1.215 163 P CA -0.950 61.208 63.100 -1.569 0.000 0.780 163 P CB -0.374 30.644 31.700 -1.138 0.000 0.898 164 P HA 0.294 nan 4.420 nan 0.000 0.274 164 P C -0.479 176.615 177.300 -0.343 0.000 1.231 164 P CA 0.089 62.979 63.100 -0.351 0.000 0.790 164 P CB 0.712 32.249 31.700 -0.272 0.000 0.951 165 I N 1.090 121.469 120.570 -0.319 0.000 2.433 165 I HA 0.525 5.112 4.170 0.695 0.000 0.292 165 I C 0.886 176.824 176.117 -0.299 0.000 1.001 165 I CA -0.346 60.784 61.300 -0.284 0.000 1.119 165 I CB 2.084 39.946 38.000 -0.229 0.000 1.289 165 I HN 0.386 nan 8.210 nan 0.000 0.438 166 G N 4.012 112.657 108.800 -0.257 0.000 2.597 166 G HA2 0.778 5.155 3.960 0.695 0.000 0.317 166 G HA3 0.778 5.155 3.960 0.695 0.000 0.317 166 G C -1.348 173.479 174.900 -0.121 0.000 1.230 166 G CA -0.438 44.529 45.100 -0.223 0.000 0.996 166 G HN 0.658 nan 8.290 nan 0.000 0.490 167 E N -0.903 119.257 120.200 -0.066 0.000 2.343 167 E HA 0.657 5.424 4.350 0.695 0.000 0.270 167 E C -1.271 175.330 176.600 0.002 0.000 0.895 167 E CA -1.024 55.320 56.400 -0.093 0.000 0.767 167 E CB 2.384 31.991 29.700 -0.155 0.000 1.248 167 E HN 0.778 nan 8.360 nan 0.000 0.440 168 H N 0.091 119.020 119.070 -0.235 0.000 3.037 168 H HA 0.250 5.223 4.556 0.695 0.000 0.336 168 H C -1.921 173.230 175.328 -0.295 0.000 1.323 168 H CA -1.186 54.749 56.048 -0.189 0.000 1.159 168 H CB 0.232 29.960 29.762 -0.057 0.000 1.882 168 H HN 0.648 nan 8.280 nan 0.000 0.535 169 W N 1.216 122.480 121.300 -0.059 0.000 2.351 169 W HA 0.602 5.679 4.660 0.694 0.000 0.311 169 W C 0.587 177.057 176.519 -0.082 0.000 1.168 169 W CA 0.205 57.470 57.345 -0.133 0.000 1.200 169 W CB 1.846 31.254 29.460 -0.086 0.000 1.221 169 W HN 0.883 nan 8.180 nan 0.000 0.519 170 G N 1.523 110.372 108.800 0.083 0.000 3.105 170 G HA2 0.394 4.771 3.960 0.695 0.000 0.277 170 G HA3 0.394 4.771 3.960 0.695 0.000 0.277 170 G C -1.525 173.422 174.900 0.078 0.000 1.375 170 G CA -1.098 44.056 45.100 0.089 0.000 0.962 170 G HN 0.256 nan 8.290 nan 0.000 0.541 171 K N 0.677 121.111 120.400 0.056 0.000 2.310 171 K HA 0.377 5.114 4.320 0.695 0.000 0.290 171 K C 0.753 177.372 176.600 0.033 0.000 1.077 171 K CA -0.226 56.086 56.287 0.040 0.000 0.922 171 K CB 0.064 32.581 32.500 0.029 0.000 1.057 171 K HN 0.544 nan 8.250 nan 0.000 0.479 172 G N 1.958 110.781 108.800 0.038 0.000 2.667 172 G HA2 -0.004 4.373 3.960 0.695 0.000 0.250 172 G HA3 -0.004 4.373 3.960 0.695 0.000 0.250 172 G C -0.333 174.577 174.900 0.018 0.000 1.212 172 G CA -0.581 44.536 45.100 0.028 0.000 0.874 172 G HN 0.695 nan 8.290 nan 0.000 0.561 173 S N 1.184 116.892 115.700 0.012 0.000 2.545 173 S HA 0.509 5.396 4.470 0.695 0.000 0.275 173 S C -1.736 172.869 174.600 0.009 0.000 1.299 173 S CA -0.986 57.219 58.200 0.009 0.000 1.048 173 S CB 1.403 64.606 63.200 0.005 0.000 0.938 173 S HN 0.637 nan 8.310 nan 0.000 0.496 174 P HA 0.305 nan 4.420 nan 0.000 0.277 174 P C -0.552 176.750 177.300 0.005 0.000 1.240 174 P CA -0.641 62.463 63.100 0.006 0.000 0.798 174 P CB 0.551 32.253 31.700 0.004 0.000 0.979 175 C N 1.222 120.525 119.300 0.004 0.000 2.637 175 C HA 0.144 5.021 4.460 0.695 0.000 0.418 175 C C 1.116 176.107 174.990 0.002 0.000 1.319 175 C CA 0.247 59.267 59.018 0.004 0.000 1.949 175 C CB -0.507 27.235 27.740 0.004 0.000 2.639 175 C HN 0.552 nan 8.230 nan 0.000 0.594 176 T N 5.233 119.788 114.554 0.002 0.000 3.182 176 T HA 0.230 4.996 4.350 0.695 0.000 0.274 176 T C 0.138 174.839 174.700 0.001 0.000 0.997 176 T CA 0.405 62.505 62.100 0.001 0.000 1.082 176 T CB -0.089 68.780 68.868 0.001 0.000 1.005 176 T HN 0.780 nan 8.240 nan 0.000 0.688 177 Q N 0.542 120.343 119.800 0.001 0.000 2.365 177 Q HA 0.296 5.053 4.340 0.695 0.000 0.300 177 Q C -0.294 175.707 176.000 0.000 0.000 0.778 177 Q CA -0.764 55.039 55.803 0.001 0.000 0.647 177 Q CB 0.502 29.241 28.738 0.001 0.000 2.776 177 Q HN 0.322 nan 8.270 nan 0.000 0.217 178 V N 2.811 122.726 119.914 0.000 0.000 2.479 178 V HA 0.156 4.693 4.120 0.695 0.000 0.284 178 V C 0.132 176.226 176.094 -0.000 0.000 0.981 178 V CA 0.194 62.494 62.300 -0.000 0.000 1.139 178 V CB -0.879 30.944 31.823 -0.000 0.000 0.947 178 V HN 0.538 nan 8.190 nan 0.000 0.468 179 A N 5.859 128.679 122.820 -0.000 0.000 2.553 179 A HA 0.263 5.000 4.320 0.695 0.000 0.258 179 A C 0.443 178.026 177.584 -0.001 0.000 1.069 179 A CA -0.219 51.818 52.037 -0.001 0.000 0.767 179 A CB -0.240 18.759 19.000 -0.001 0.000 0.997 179 A HN 0.876 nan 8.150 nan 0.000 0.512 180 V N 5.515 125.429 119.914 -0.001 0.000 2.479 180 V HA -0.078 4.459 4.120 0.695 0.000 0.284 180 V C 0.720 176.813 176.094 -0.002 0.000 0.981 180 V CA 0.301 62.600 62.300 -0.002 0.000 1.139 180 V CB -0.721 31.102 31.823 -0.001 0.000 0.947 180 V HN 0.866 nan 8.190 nan 0.000 0.468 181 Q N 6.157 125.956 119.800 -0.003 0.000 2.337 181 Q HA 0.230 4.987 4.340 0.695 0.000 0.270 181 Q C -2.163 173.835 176.000 -0.004 0.000 1.002 181 Q CA -1.905 53.896 55.803 -0.003 0.000 0.888 181 Q CB 0.350 29.087 28.738 -0.003 0.000 1.222 181 Q HN 0.468 nan 8.270 nan 0.000 0.400 182 P HA -0.025 nan 4.420 nan 0.000 0.264 182 P C 0.664 177.960 177.300 -0.006 0.000 1.183 182 P CA 1.084 64.181 63.100 -0.005 0.000 0.763 182 P CB 0.389 32.086 31.700 -0.005 0.000 0.807 183 G N 1.693 110.489 108.800 -0.007 0.000 2.225 183 G HA2 -0.221 4.155 3.960 0.695 0.000 0.254 183 G HA3 -0.221 4.155 3.960 0.695 0.000 0.254 183 G C 0.078 174.973 174.900 -0.009 0.000 0.988 183 G CA -0.159 44.936 45.100 -0.009 0.000 0.625 183 G HN 0.512 nan 8.290 nan 0.000 0.527 184 D N 0.160 120.555 120.400 -0.007 0.000 2.472 184 D HA 0.328 5.385 4.640 0.695 0.000 0.237 184 D C 1.127 177.421 176.300 -0.010 0.000 1.141 184 D CA 0.063 54.058 54.000 -0.008 0.000 0.875 184 D CB 0.832 41.629 40.800 -0.006 0.000 1.192 184 D HN 0.425 nan 8.370 nan 0.000 0.450 185 C N 5.010 124.303 119.300 -0.012 0.000 2.634 185 C HA 0.232 5.109 4.460 0.695 0.000 0.418 185 C C -1.808 173.174 174.990 -0.014 0.000 1.373 185 C CA -1.263 57.745 59.018 -0.016 0.000 1.756 185 C CB -0.605 27.122 27.740 -0.022 0.000 2.589 185 C HN 0.448 nan 8.230 nan 0.000 0.602 186 P HA 0.329 nan 4.420 nan 0.000 0.278 186 P C -2.646 174.649 177.300 -0.009 0.000 1.238 186 P CA -0.988 62.108 63.100 -0.007 0.000 0.794 186 P CB 0.484 32.182 31.700 -0.003 0.000 0.955 187 P HA 0.182 nan 4.420 nan 0.000 0.275 187 P C -0.508 176.806 177.300 0.024 0.000 1.227 187 P CA -0.211 62.892 63.100 0.005 0.000 0.781 187 P CB 0.654 32.361 31.700 0.012 0.000 0.906 188 L N 2.098 123.340 121.223 0.031 0.000 2.399 188 L HA 0.510 5.267 4.340 0.695 0.000 0.265 188 L C 0.691 177.686 176.870 0.209 0.000 1.089 188 L CA 0.021 54.926 54.840 0.109 0.000 0.802 188 L CB 0.270 42.332 42.059 0.004 0.000 1.180 188 L HN 0.604 nan 8.230 nan 0.000 0.454 189 E N 1.817 122.204 120.200 0.313 0.000 2.406 189 E HA 0.150 4.917 4.350 0.695 0.000 0.297 189 E C -1.795 174.793 176.600 -0.021 0.000 0.917 189 E CA -0.721 55.783 56.400 0.173 0.000 0.795 189 E CB 2.178 31.905 29.700 0.045 0.000 1.285 189 E HN 0.364 nan 8.360 nan 0.000 0.400 190 L N 5.862 126.901 121.223 -0.307 0.000 2.418 190 L HA 0.352 5.109 4.340 0.695 0.000 0.274 190 L C -0.743 175.846 176.870 -0.467 0.000 1.135 190 L CA 0.480 54.861 54.840 -0.765 0.000 0.870 190 L CB 0.215 41.719 42.059 -0.926 0.000 1.154 190 L HN 0.457 nan 8.230 nan 0.000 0.462 191 I N 5.378 125.606 120.570 -0.570 0.000 2.389 191 I HA 0.312 4.899 4.170 0.695 0.000 0.288 191 I C -0.098 175.822 176.117 -0.328 0.000 0.999 191 I CA -0.652 60.389 61.300 -0.433 0.000 1.129 191 I CB 1.170 38.866 38.000 -0.506 0.000 1.288 191 I HN 0.528 nan 8.210 nan 0.000 0.444 192 N N 3.816 122.404 118.700 -0.186 0.000 2.514 192 N HA 0.354 5.510 4.740 0.695 0.000 0.277 192 N C -0.330 175.145 175.510 -0.058 0.000 1.126 192 N CA 0.214 53.190 53.050 -0.124 0.000 0.978 192 N CB 1.829 40.246 38.487 -0.117 0.000 1.106 192 N HN 0.649 nan 8.380 nan 0.000 0.461 193 T N -0.489 114.037 114.554 -0.045 0.000 2.812 193 T HA 0.453 5.220 4.350 0.695 0.000 0.294 193 T C -1.101 173.530 174.700 -0.116 0.000 1.159 193 T CA -0.578 61.507 62.100 -0.024 0.000 1.008 193 T CB 0.826 69.726 68.868 0.054 0.000 1.289 193 T HN -0.000 nan 8.240 nan 0.000 0.514 194 V N 3.034 122.864 119.914 -0.140 0.000 2.465 194 V HA 0.446 4.982 4.120 0.695 0.000 0.279 194 V C 0.321 176.273 176.094 -0.237 0.000 1.045 194 V CA -0.688 61.440 62.300 -0.286 0.000 0.938 194 V CB 1.117 32.573 31.823 -0.612 0.000 0.986 194 V HN 0.714 nan 8.190 nan 0.000 0.467 195 I N 5.409 125.810 120.570 -0.282 0.000 2.363 195 I HA 0.205 4.792 4.170 0.695 0.000 0.292 195 I C 0.516 176.535 176.117 -0.163 0.000 1.075 195 I CA 0.156 61.263 61.300 -0.321 0.000 1.333 195 I CB 0.291 37.973 38.000 -0.530 0.000 1.415 195 I HN 0.657 nan 8.210 nan 0.000 0.502 196 Q N 3.992 123.727 119.800 -0.110 0.000 2.205 196 Q HA 0.213 4.969 4.340 0.695 0.000 0.249 196 Q C -0.554 175.465 176.000 0.033 0.000 0.948 196 Q CA -0.878 54.916 55.803 -0.015 0.000 0.895 196 Q CB 1.549 30.245 28.738 -0.070 0.000 1.249 196 Q HN 0.470 nan 8.270 nan 0.000 0.458 197 D N -0.542 119.916 120.400 0.096 0.000 2.434 197 D HA 0.224 5.281 4.640 0.695 0.000 0.252 197 D C 0.707 177.050 176.300 0.071 0.000 1.185 197 D CA 1.729 55.789 54.000 0.100 0.000 0.886 197 D CB 0.060 40.945 40.800 0.140 0.000 1.148 197 D HN 0.682 nan 8.370 nan 0.000 0.483 198 G N 3.365 112.226 108.800 0.103 0.000 2.218 198 G HA2 -0.220 4.157 3.960 0.695 0.000 0.216 198 G HA3 -0.220 4.157 3.960 0.695 0.000 0.216 198 G C 0.243 175.211 174.900 0.113 0.000 0.994 198 G CA -0.128 45.028 45.100 0.094 0.000 0.637 198 G HN 0.602 nan 8.290 nan 0.000 0.505 199 D N 1.092 121.567 120.400 0.126 0.000 2.362 199 D HA 0.428 5.485 4.640 0.695 0.000 0.238 199 D C 1.154 177.617 176.300 0.272 0.000 1.212 199 D CA 0.352 54.435 54.000 0.139 0.000 0.902 199 D CB 0.354 41.173 40.800 0.031 0.000 1.180 199 D HN 0.093 nan 8.370 nan 0.000 0.445 200 M N 0.838 120.576 119.600 0.231 0.000 2.367 200 M HA 0.286 5.183 4.480 0.695 0.000 0.339 200 M C -0.241 176.238 176.300 0.298 0.000 1.177 200 M CA -0.889 54.539 55.300 0.213 0.000 1.068 200 M CB 1.336 34.015 32.600 0.132 0.000 1.602 200 M HN -0.025 nan 8.290 nan 0.000 0.457 201 V N 1.754 121.743 119.914 0.124 0.000 2.617 201 V HA 0.198 4.734 4.120 0.695 0.000 0.298 201 V C 0.209 176.364 176.094 0.100 0.000 1.048 201 V CA -1.180 61.167 62.300 0.078 0.000 0.964 201 V CB 1.381 33.090 31.823 -0.189 0.000 1.004 201 V HN 0.915 nan 8.190 nan 0.000 0.466 202 D N 1.964 122.472 120.400 0.181 0.000 2.533 202 D HA -0.077 4.979 4.640 0.695 0.000 0.236 202 D C 0.826 177.135 176.300 0.015 0.000 1.137 202 D CA 0.553 54.640 54.000 0.145 0.000 0.867 202 D CB 1.227 42.121 40.800 0.157 0.000 1.170 202 D HN 0.789 nan 8.370 nan 0.000 0.474 203 T N -1.505 112.999 114.554 -0.083 0.000 3.085 203 T HA 0.471 5.237 4.350 0.695 0.000 0.264 203 T C 1.268 175.882 174.700 -0.144 0.000 1.019 203 T CA 0.120 62.031 62.100 -0.316 0.000 0.910 203 T CB 0.335 68.490 68.868 -1.188 0.000 1.059 203 T HN 0.813 nan 8.240 nan 0.000 0.542 204 G N 0.899 109.666 108.800 -0.055 0.000 2.318 204 G HA2 -0.098 4.279 3.960 0.695 0.000 0.172 204 G HA3 -0.098 4.279 3.960 0.695 0.000 0.172 204 G C 0.176 174.883 174.900 -0.322 0.000 1.002 204 G CA -0.359 44.633 45.100 -0.179 0.000 0.697 204 G HN 0.437 nan 8.290 nan 0.000 0.483 205 F N 2.103 122.099 119.950 0.076 0.000 2.647 205 F HA 0.522 5.466 4.527 0.694 0.000 0.300 205 F C 1.589 177.527 175.800 0.230 0.000 1.106 205 F CA 0.603 58.715 58.000 0.186 0.000 1.313 205 F CB 0.825 39.977 39.000 0.253 0.000 1.007 205 F HN 0.736 nan 8.300 nan 0.000 0.536 206 G N 0.979 109.926 108.800 0.244 0.000 2.828 206 G HA2 0.079 4.456 3.960 0.695 0.000 0.463 206 G HA3 0.079 4.456 3.960 0.695 0.000 0.463 206 G C -0.482 174.573 174.900 0.258 0.000 1.394 206 G CA -0.675 44.541 45.100 0.195 0.000 0.862 206 G HN 0.647 nan 8.290 nan 0.000 0.540 207 A N 0.503 123.457 122.820 0.223 0.000 2.444 207 A HA 0.791 5.527 4.320 0.695 0.000 0.332 207 A C 0.457 178.175 177.584 0.224 0.000 1.430 207 A CA 0.843 53.023 52.037 0.239 0.000 0.975 207 A CB -0.491 18.651 19.000 0.236 0.000 1.147 207 A HN 1.970 nan 8.150 nan 0.000 0.524 208 M N 0.267 119.900 119.600 0.055 0.000 2.683 208 M HA 0.559 5.456 4.480 0.695 0.000 0.274 208 M C -1.627 174.497 176.300 -0.294 0.000 1.272 208 M CA -0.848 54.396 55.300 -0.093 0.000 0.833 208 M CB 1.727 34.150 32.600 -0.295 0.000 1.708 208 M HN 0.243 nan 8.290 nan 0.000 0.463 209 D N 1.072 121.401 120.400 -0.118 0.000 2.479 209 D HA 0.337 5.394 4.640 0.695 0.000 0.218 209 D C -0.102 176.118 176.300 -0.133 0.000 1.131 209 D CA -0.292 53.671 54.000 -0.061 0.000 0.916 209 D CB 0.028 40.883 40.800 0.092 0.000 1.022 209 D HN 0.555 nan 8.370 nan 0.000 0.515 210 F N 1.080 121.056 119.950 0.044 0.000 2.269 210 F HA -0.124 4.820 4.527 0.696 0.000 0.301 210 F C 2.426 178.230 175.800 0.007 0.000 1.082 210 F CA 0.747 58.756 58.000 0.015 0.000 1.360 210 F CB -0.453 38.537 39.000 -0.017 0.000 1.041 210 F HN 0.273 nan 8.300 nan 0.000 0.512 211 T N -1.152 113.505 114.554 0.172 0.000 2.668 211 T HA -0.188 4.579 4.350 0.695 0.000 0.262 211 T C 2.142 176.880 174.700 0.062 0.000 1.045 211 T CA 2.058 64.218 62.100 0.099 0.000 1.152 211 T CB -0.775 68.138 68.868 0.074 0.000 0.864 211 T HN 0.409 nan 8.240 nan 0.000 0.419 212 T N -0.609 113.975 114.554 0.051 0.000 3.148 212 T HA 0.163 4.930 4.350 0.695 0.000 0.253 212 T C 1.213 175.927 174.700 0.023 0.000 1.134 212 T CA 0.224 62.346 62.100 0.035 0.000 1.051 212 T CB -0.110 68.782 68.868 0.039 0.000 0.959 212 T HN 0.050 nan 8.240 nan 0.000 0.525 213 L N 0.171 121.404 121.223 0.015 0.000 2.966 213 L HA 0.501 5.258 4.340 0.695 0.000 0.262 213 L C 0.172 177.045 176.870 0.006 0.000 1.165 213 L CA 0.301 55.138 54.840 -0.006 0.000 0.978 213 L CB 0.210 42.240 42.059 -0.049 0.000 1.337 213 L HN 0.366 nan 8.230 nan 0.000 0.563 214 Q N -1.024 118.796 119.800 0.034 0.000 3.021 214 Q HA 0.416 5.173 4.340 0.695 0.000 0.234 214 Q C 0.771 176.786 176.000 0.024 0.000 0.930 214 Q CA 0.125 55.949 55.803 0.035 0.000 0.714 214 Q CB 1.548 30.335 28.738 0.081 0.000 1.325 214 Q HN 0.116 nan 8.270 nan 0.000 0.473 215 A N 2.016 124.840 122.820 0.007 0.000 1.978 215 A HA -0.241 4.496 4.320 0.695 0.000 0.220 215 A C 1.827 179.406 177.584 -0.008 0.000 1.170 215 A CA 1.722 53.760 52.037 0.001 0.000 0.636 215 A CB -0.313 18.684 19.000 -0.005 0.000 0.810 215 A HN 0.753 nan 8.150 nan 0.000 0.448 216 N N -0.196 118.491 118.700 -0.021 0.000 2.096 216 N HA -0.264 4.893 4.740 0.695 0.000 0.195 216 N C 0.661 176.144 175.510 -0.046 0.000 1.017 216 N CA 1.976 54.999 53.050 -0.044 0.000 0.870 216 N CB -0.244 38.203 38.487 -0.066 0.000 1.024 216 N HN 0.529 nan 8.380 nan 0.000 0.434 217 K N -1.939 118.445 120.400 -0.026 0.000 3.341 217 K HA -0.128 4.609 4.320 0.695 0.000 0.305 217 K C -0.346 176.237 176.600 -0.030 0.000 1.270 217 K CA 0.838 57.125 56.287 0.000 0.000 0.897 217 K CB -1.333 31.178 32.500 0.018 0.000 1.264 217 K HN 0.212 nan 8.250 nan 0.000 0.468 218 S N -0.626 114.979 115.700 -0.157 0.000 3.053 218 S HA 0.101 4.987 4.470 0.695 0.000 0.255 218 S C 0.558 174.947 174.600 -0.351 0.000 0.976 218 S CA -0.680 57.278 58.200 -0.403 0.000 1.159 218 S CB 0.629 63.572 63.200 -0.429 0.000 1.110 218 S HN 0.194 nan 8.310 nan 0.000 0.633 219 E N 1.451 121.498 120.200 -0.255 0.000 2.216 219 E HA 0.050 4.816 4.350 0.695 0.000 0.192 219 E C 1.032 177.362 176.600 -0.451 0.000 0.988 219 E CA 0.774 56.979 56.400 -0.325 0.000 0.834 219 E CB 0.219 29.796 29.700 -0.205 0.000 0.772 219 E HN 0.541 nan 8.360 nan 0.000 0.479 220 V N -2.544 117.119 119.914 -0.418 0.000 3.130 220 V HA 0.535 5.072 4.120 0.695 0.000 0.310 220 V C -2.916 173.045 176.094 -0.222 0.000 1.158 220 V CA -3.027 58.930 62.300 -0.572 0.000 1.029 220 V CB 1.712 32.941 31.823 -0.991 0.000 1.057 220 V HN -0.270 nan 8.190 nan 0.000 0.436 221 P HA 0.126 nan 4.420 nan 0.000 0.269 221 P C 0.977 178.210 177.300 -0.110 0.000 1.211 221 P CA -0.169 62.892 63.100 -0.065 0.000 0.781 221 P CB 0.313 31.973 31.700 -0.067 0.000 0.877 222 L N 2.111 123.199 121.223 -0.224 0.000 2.021 222 L HA -0.214 4.543 4.340 0.695 0.000 0.215 222 L C 1.895 178.750 176.870 -0.025 0.000 1.074 222 L CA 2.261 56.998 54.840 -0.172 0.000 0.760 222 L CB -1.944 40.033 42.059 -0.137 0.000 0.889 222 L HN 0.531 nan 8.230 nan 0.000 0.433 223 D N -0.032 120.357 120.400 -0.019 0.000 2.311 223 D HA -0.205 4.852 4.640 0.695 0.000 0.212 223 D C 1.646 177.989 176.300 0.071 0.000 0.972 223 D CA 1.394 55.463 54.000 0.115 0.000 0.887 223 D CB -0.321 40.608 40.800 0.215 0.000 0.915 223 D HN 0.656 nan 8.370 nan 0.000 0.497 224 I N -3.647 116.905 120.570 -0.031 0.000 4.439 224 I HA 0.253 4.840 4.170 0.695 0.000 0.331 224 I C 2.075 178.062 176.117 -0.216 0.000 1.345 224 I CA -0.614 60.609 61.300 -0.129 0.000 1.193 224 I CB 0.024 37.844 38.000 -0.301 0.000 1.221 224 I HN 0.008 nan 8.210 nan 0.000 0.429 225 C N 2.686 121.886 119.300 -0.166 0.000 2.385 225 C HA -0.175 4.702 4.460 0.695 0.000 0.275 225 C C 2.223 177.213 174.990 0.001 0.000 1.199 225 C CA 2.214 61.166 59.018 -0.111 0.000 1.782 225 C CB -1.238 26.484 27.740 -0.030 0.000 2.068 225 C HN 0.746 nan 8.230 nan 0.000 0.471 226 T N -1.923 112.650 114.554 0.032 0.000 3.415 226 T HA 0.502 5.269 4.350 0.695 0.000 0.282 226 T C 0.051 174.800 174.700 0.081 0.000 1.007 226 T CA -0.162 61.977 62.100 0.066 0.000 0.958 226 T CB 0.120 69.013 68.868 0.040 0.000 1.171 226 T HN 0.426 nan 8.240 nan 0.000 0.500 227 S N 0.584 116.350 115.700 0.110 0.000 2.823 227 S HA 0.813 5.700 4.470 0.695 0.000 0.316 227 S C -0.809 173.900 174.600 0.183 0.000 1.116 227 S CA -0.886 57.381 58.200 0.112 0.000 0.911 227 S CB 0.988 64.243 63.200 0.091 0.000 1.276 227 S HN 0.422 nan 8.310 nan 0.000 0.565 228 I N 0.853 121.487 120.570 0.107 0.000 2.418 228 I HA 0.349 4.936 4.170 0.695 0.000 0.287 228 I C -1.035 175.143 176.117 0.102 0.000 1.008 228 I CA -0.261 61.069 61.300 0.049 0.000 1.104 228 I CB 1.351 39.219 38.000 -0.219 0.000 1.264 228 I HN 0.446 nan 8.210 nan 0.000 0.438 229 C N 6.323 125.765 119.300 0.238 0.000 2.303 229 C HA 0.383 5.260 4.460 0.695 0.000 0.341 229 C C 0.387 175.500 174.990 0.206 0.000 1.244 229 C CA -0.724 58.453 59.018 0.265 0.000 1.765 229 C CB -0.738 27.240 27.740 0.397 0.000 2.379 229 C HN 0.635 nan 8.230 nan 0.000 0.530 230 K N 2.650 123.178 120.400 0.214 0.000 2.156 230 K HA 0.488 5.225 4.320 0.695 0.000 0.254 230 K C -1.175 175.622 176.600 0.329 0.000 0.950 230 K CA -0.578 55.812 56.287 0.171 0.000 0.849 230 K CB 2.126 34.602 32.500 -0.039 0.000 1.100 230 K HN 0.609 nan 8.250 nan 0.000 0.434 231 Y N 2.026 122.384 120.300 0.096 0.000 2.393 231 Y HA 0.311 5.277 4.550 0.694 0.000 0.341 231 Y C -2.610 173.261 175.900 -0.048 0.000 0.988 231 Y CA -2.581 55.584 58.100 0.107 0.000 1.078 231 Y CB 1.629 40.148 38.460 0.098 0.000 1.203 231 Y HN 0.406 nan 8.280 nan 0.000 0.453 232 P HA -0.010 nan 4.420 nan 0.000 0.265 232 P C -0.816 175.992 177.300 -0.821 0.000 1.193 232 P CA 0.326 62.903 63.100 -0.871 0.000 0.765 232 P CB 0.510 31.360 31.700 -1.418 0.000 0.823 233 D N 2.665 122.755 120.400 -0.517 0.000 2.563 233 D HA 0.055 5.111 4.640 0.695 0.000 0.222 233 D C 0.567 176.689 176.300 -0.297 0.000 1.145 233 D CA -0.241 53.589 54.000 -0.284 0.000 1.001 233 D CB -0.340 40.347 40.800 -0.190 0.000 1.049 233 D HN 0.292 nan 8.370 nan 0.000 0.515 234 Y N 1.445 121.593 120.300 -0.255 0.000 2.165 234 Y HA -0.248 4.719 4.550 0.694 0.000 0.286 234 Y C 2.284 178.085 175.900 -0.165 0.000 1.155 234 Y CA 0.590 58.513 58.100 -0.294 0.000 1.164 234 Y CB -0.091 38.141 38.460 -0.380 0.000 0.978 234 Y HN 0.361 nan 8.280 nan 0.000 0.513 235 I N 0.637 121.247 120.570 0.067 0.000 2.099 235 I HA -0.340 4.247 4.170 0.695 0.000 0.239 235 I C 2.388 178.505 176.117 -0.000 0.000 1.066 235 I CA 1.750 63.072 61.300 0.037 0.000 1.324 235 I CB -1.295 36.725 38.000 0.034 0.000 1.037 235 I HN 0.249 nan 8.210 nan 0.000 0.401 236 K N 0.792 121.173 120.400 -0.033 0.000 2.026 236 K HA -0.165 4.572 4.320 0.695 0.000 0.208 236 K C 2.275 178.847 176.600 -0.047 0.000 1.048 236 K CA 1.481 57.740 56.287 -0.047 0.000 0.929 236 K CB -0.062 32.392 32.500 -0.076 0.000 0.713 236 K HN 0.194 nan 8.250 nan 0.000 0.439 237 M N 0.410 119.965 119.600 -0.076 0.000 2.159 237 M HA -0.154 4.742 4.480 0.695 0.000 0.263 237 M C 2.050 178.347 176.300 -0.005 0.000 1.063 237 M CA 1.222 56.482 55.300 -0.067 0.000 1.110 237 M CB -0.002 32.520 32.600 -0.130 0.000 1.374 237 M HN 0.002 nan 8.290 nan 0.000 0.411 238 V N -1.025 118.898 119.914 0.015 0.000 2.719 238 V HA -0.127 4.410 4.120 0.695 0.000 0.252 238 V C 2.166 178.282 176.094 0.037 0.000 1.065 238 V CA 1.440 63.773 62.300 0.054 0.000 1.086 238 V CB -0.321 31.552 31.823 0.083 0.000 0.700 238 V HN 0.387 nan 8.190 nan 0.000 0.467 239 S N -0.826 114.886 115.700 0.019 0.000 2.406 239 S HA -0.092 4.795 4.470 0.695 0.000 0.228 239 S C 1.019 175.626 174.600 0.012 0.000 1.020 239 S CA 0.185 58.391 58.200 0.011 0.000 0.965 239 S CB -0.247 62.954 63.200 0.003 0.000 0.798 239 S HN 0.779 nan 8.310 nan 0.000 0.488 240 E N 3.222 123.433 120.200 0.017 0.000 2.966 240 E HA -0.104 4.662 4.350 0.695 0.000 0.254 240 E C -1.256 175.370 176.600 0.042 0.000 0.923 240 E CA -0.778 55.642 56.400 0.032 0.000 0.960 240 E CB 0.659 30.388 29.700 0.048 0.000 0.901 240 E HN 0.110 nan 8.360 nan 0.000 0.525 241 P HA -0.229 nan 4.420 nan 0.000 0.215 241 P C 0.611 177.889 177.300 -0.036 0.000 1.163 241 P CA 1.746 64.792 63.100 -0.089 0.000 0.894 241 P CB -0.152 31.389 31.700 -0.265 0.000 0.791 242 Y N -0.813 119.591 120.300 0.173 0.000 2.517 242 Y HA 0.283 5.250 4.550 0.695 0.000 0.281 242 Y C 1.882 177.948 175.900 0.276 0.000 1.125 242 Y CA 0.579 58.829 58.100 0.250 0.000 1.283 242 Y CB -0.718 37.855 38.460 0.188 0.000 1.042 242 Y HN 0.063 nan 8.280 nan 0.000 0.547 243 G N 0.966 109.959 108.800 0.322 0.000 2.295 243 G HA2 -0.281 4.096 3.960 0.695 0.000 0.287 243 G HA3 -0.281 4.096 3.960 0.695 0.000 0.287 243 G C 0.358 175.454 174.900 0.327 0.000 1.055 243 G CA 0.640 45.901 45.100 0.268 0.000 0.922 243 G HN 0.408 nan 8.290 nan 0.000 0.503 244 D N 0.170 120.750 120.400 0.300 0.000 2.240 244 D HA -0.056 5.001 4.640 0.695 0.000 0.206 244 D C 2.673 179.021 176.300 0.080 0.000 0.963 244 D CA 1.218 55.398 54.000 0.300 0.000 0.863 244 D CB -0.268 40.712 40.800 0.300 0.000 0.973 244 D HN 0.635 nan 8.370 nan 0.000 0.501 245 S N 0.754 116.461 115.700 0.012 0.000 2.400 245 S HA -0.110 4.776 4.470 0.695 0.000 0.232 245 S C 0.918 175.411 174.600 -0.177 0.000 1.025 245 S CA 0.503 58.632 58.200 -0.118 0.000 0.993 245 S CB -0.382 62.742 63.200 -0.127 0.000 0.808 245 S HN 0.305 nan 8.310 nan 0.000 0.478 246 L N -1.807 119.345 121.223 -0.118 0.000 2.710 246 L HA 0.617 5.374 4.340 0.695 0.000 0.262 246 L C -0.609 176.302 176.870 0.067 0.000 0.940 246 L CA -1.024 53.738 54.840 -0.131 0.000 0.944 246 L CB 0.475 42.503 42.059 -0.051 0.000 1.348 246 L HN 0.028 nan 8.230 nan 0.000 0.425 247 F N 2.384 122.466 119.950 0.219 0.000 2.639 247 F HA 0.765 5.708 4.527 0.695 0.000 0.302 247 F C -0.328 175.653 175.800 0.302 0.000 1.097 247 F CA -1.333 56.804 58.000 0.227 0.000 1.294 247 F CB -0.167 38.953 39.000 0.200 0.000 1.027 247 F HN 0.413 nan 8.300 nan 0.000 0.550 248 F N 1.655 121.796 119.950 0.318 0.000 2.714 248 F HA 0.500 5.444 4.527 0.695 0.000 0.313 248 F C -2.118 173.795 175.800 0.188 0.000 1.104 248 F CA -1.772 56.343 58.000 0.191 0.000 1.005 248 F CB 0.702 39.827 39.000 0.207 0.000 1.268 248 F HN 0.093 nan 8.300 nan 0.000 0.449 249 Y N 4.349 123.929 120.300 -1.201 0.000 2.624 249 Y HA 0.825 5.792 4.550 0.695 0.000 0.334 249 Y C -2.502 172.844 175.900 -0.923 0.000 1.155 249 Y CA -1.868 55.708 58.100 -0.875 0.000 1.046 249 Y CB 1.478 39.791 38.460 -0.245 0.000 1.316 249 Y HN 0.702 nan 8.280 nan 0.000 0.457 250 L N 3.779 124.786 121.223 -0.360 0.000 2.438 250 L HA 0.688 5.444 4.340 0.695 0.000 0.270 250 L C -1.133 175.728 176.870 -0.015 0.000 0.972 250 L CA -0.943 53.723 54.840 -0.290 0.000 0.831 250 L CB 2.451 44.280 42.059 -0.384 0.000 1.273 250 L HN 0.920 nan 8.230 nan 0.000 0.405 251 R N 2.202 122.708 120.500 0.010 0.000 2.686 251 R HA 0.867 5.624 4.340 0.695 0.000 0.283 251 R C -0.988 175.313 176.300 0.002 0.000 0.978 251 R CA -1.037 55.089 56.100 0.043 0.000 0.897 251 R CB 2.359 32.666 30.300 0.012 0.000 1.192 251 R HN 0.492 nan 8.270 nan 0.000 0.457 252 R N 1.484 122.003 120.500 0.032 0.000 2.605 252 R HA 0.174 4.931 4.340 0.695 0.000 0.291 252 R C -1.638 174.700 176.300 0.064 0.000 1.226 252 R CA -0.365 55.750 56.100 0.024 0.000 0.981 252 R CB 1.444 31.738 30.300 -0.011 0.000 1.215 252 R HN 0.953 nan 8.270 nan 0.000 0.428 253 E N 3.606 123.849 120.200 0.071 0.000 2.293 253 E HA 0.398 5.165 4.350 0.695 0.000 0.270 253 E C -1.416 175.225 176.600 0.067 0.000 0.879 253 E CA -1.060 55.392 56.400 0.088 0.000 0.756 253 E CB 2.559 32.336 29.700 0.128 0.000 1.208 253 E HN 0.535 nan 8.360 nan 0.000 0.428 254 Q N 3.004 122.846 119.800 0.070 0.000 2.418 254 Q HA 0.672 5.429 4.340 0.695 0.000 0.282 254 Q C -1.175 174.872 176.000 0.077 0.000 1.044 254 Q CA -1.120 54.725 55.803 0.071 0.000 0.813 254 Q CB 2.714 31.497 28.738 0.076 0.000 1.428 254 Q HN 0.602 nan 8.270 nan 0.000 0.402 255 M N 2.524 122.177 119.600 0.088 0.000 2.605 255 M HA 0.586 5.483 4.480 0.695 0.000 0.281 255 M C -2.271 174.112 176.300 0.139 0.000 1.166 255 M CA -0.507 54.831 55.300 0.064 0.000 0.875 255 M CB 2.393 34.989 32.600 -0.006 0.000 1.732 255 M HN 0.923 nan 8.290 nan 0.000 0.504 256 F N 1.350 121.275 119.950 -0.041 0.000 2.662 256 F HA 0.786 5.729 4.527 0.694 0.000 0.312 256 F C -1.765 173.982 175.800 -0.088 0.000 1.113 256 F CA -1.030 56.933 58.000 -0.062 0.000 0.951 256 F CB 0.901 39.867 39.000 -0.057 0.000 1.344 256 F HN 0.168 nan 8.300 nan 0.000 0.462 257 V N 3.683 123.643 119.914 0.077 0.000 2.405 257 V HA 0.239 4.776 4.120 0.695 0.000 0.264 257 V C 0.986 177.008 176.094 -0.120 0.000 1.048 257 V CA 0.004 62.239 62.300 -0.109 0.000 0.966 257 V CB 0.466 32.249 31.823 -0.066 0.000 1.015 257 V HN 0.912 nan 8.190 nan 0.000 0.477 258 R N 4.145 124.416 120.500 -0.381 0.000 2.052 258 R HA 0.098 4.854 4.340 0.695 0.000 0.224 258 R C 0.427 176.405 176.300 -0.536 0.000 1.149 258 R CA 1.243 57.116 56.100 -0.379 0.000 0.962 258 R CB 0.065 30.117 30.300 -0.414 0.000 0.856 258 R HN 0.792 nan 8.270 nan 0.000 0.433 259 H N -1.785 117.065 119.070 -0.366 0.000 2.797 259 H HA 0.498 5.471 4.556 0.695 0.000 0.372 259 H C -1.526 173.353 175.328 -0.749 0.000 1.168 259 H CA -0.920 54.783 56.048 -0.575 0.000 1.163 259 H CB 1.897 31.122 29.762 -0.896 0.000 1.778 259 H HN -0.054 nan 8.280 nan 0.000 0.551 260 L N 2.955 123.874 121.223 -0.506 0.000 2.342 260 L HA 0.368 5.125 4.340 0.695 0.000 0.276 260 L C -1.025 175.698 176.870 -0.244 0.000 0.997 260 L CA 0.082 54.680 54.840 -0.404 0.000 0.838 260 L CB 0.266 42.199 42.059 -0.210 0.000 1.224 260 L HN 0.485 nan 8.230 nan 0.000 0.416 261 F N 0.550 120.278 119.950 -0.371 0.000 2.611 261 F HA 0.502 5.446 4.527 0.694 0.000 0.374 261 F C 0.588 176.334 175.800 -0.090 0.000 1.110 261 F CA -1.086 56.700 58.000 -0.358 0.000 1.090 261 F CB 1.560 40.118 39.000 -0.737 0.000 1.388 261 F HN 0.377 nan 8.300 nan 0.000 0.501 262 N N -0.184 118.684 118.700 0.280 0.000 2.335 262 N HA 0.369 5.526 4.740 0.695 0.000 0.304 262 N C -1.385 174.331 175.510 0.344 0.000 1.135 262 N CA -0.858 52.339 53.050 0.245 0.000 0.817 262 N CB 1.444 39.988 38.487 0.095 0.000 1.294 262 N HN 0.280 nan 8.380 nan 0.000 0.497 263 R N 1.285 121.921 120.500 0.227 0.000 2.338 263 R HA 0.464 5.221 4.340 0.695 0.000 0.317 263 R C -0.590 175.729 176.300 0.031 0.000 0.968 263 R CA -0.478 55.709 56.100 0.145 0.000 0.849 263 R CB 1.452 31.800 30.300 0.081 0.000 1.128 263 R HN 0.573 nan 8.270 nan 0.000 0.448 264 A N 1.283 124.106 122.820 0.005 0.000 2.287 264 A HA 0.766 5.503 4.320 0.695 0.000 0.273 264 A C 0.573 178.138 177.584 -0.033 0.000 1.091 264 A CA 0.550 52.574 52.037 -0.023 0.000 0.817 264 A CB 0.551 19.531 19.000 -0.033 0.000 1.069 264 A HN 0.838 nan 8.150 nan 0.000 0.492 265 G N -1.129 107.651 108.800 -0.033 0.000 2.316 265 G HA2 0.483 4.860 3.960 0.695 0.000 0.349 265 G HA3 0.483 4.860 3.960 0.695 0.000 0.349 265 G C -0.313 174.570 174.900 -0.028 0.000 1.274 265 G CA 0.088 45.168 45.100 -0.033 0.000 1.018 265 G HN 2.061 nan 8.290 nan 0.000 0.486 266 T N -2.071 112.468 114.554 -0.026 0.000 2.856 266 T HA 0.647 5.414 4.350 0.695 0.000 0.283 266 T C 0.299 174.985 174.700 -0.023 0.000 1.008 266 T CA -0.143 61.944 62.100 -0.022 0.000 0.997 266 T CB 1.722 70.580 68.868 -0.017 0.000 0.992 266 T HN 1.548 nan 8.240 nan 0.000 0.454 267 V N 3.538 123.438 119.914 -0.023 0.000 2.555 267 V HA 0.154 4.691 4.120 0.695 0.000 0.299 267 V C 1.731 177.814 176.094 -0.017 0.000 1.012 267 V CA 1.103 63.389 62.300 -0.024 0.000 1.180 267 V CB -0.321 31.491 31.823 -0.019 0.000 0.887 267 V HN 1.218 nan 8.190 nan 0.000 0.476 268 G N 4.479 113.267 108.800 -0.020 0.000 2.426 268 G HA2 0.041 4.418 3.960 0.695 0.000 0.214 268 G HA3 0.041 4.418 3.960 0.695 0.000 0.214 268 G C 0.426 175.319 174.900 -0.012 0.000 1.156 268 G CA 0.019 45.110 45.100 -0.016 0.000 0.802 268 G HN 0.678 nan 8.290 nan 0.000 0.534 269 E N 0.231 120.423 120.200 -0.013 0.000 2.265 269 E HA 0.258 5.024 4.350 0.695 0.000 0.262 269 E C -1.306 175.291 176.600 -0.005 0.000 0.889 269 E CA -0.508 55.887 56.400 -0.007 0.000 0.789 269 E CB 1.553 31.248 29.700 -0.008 0.000 1.221 269 E HN 0.171 nan 8.360 nan 0.000 0.414 270 N N 0.629 119.333 118.700 0.006 0.000 2.508 270 N HA 0.101 5.258 4.740 0.695 0.000 0.264 270 N C -0.673 174.855 175.510 0.029 0.000 1.216 270 N CA -0.190 52.869 53.050 0.015 0.000 0.943 270 N CB 0.859 39.365 38.487 0.031 0.000 1.113 270 N HN 0.116 nan 8.380 nan 0.000 0.447 271 V N 3.797 123.729 119.914 0.030 0.000 2.446 271 V HA 0.121 4.658 4.120 0.695 0.000 0.276 271 V C -1.882 174.305 176.094 0.156 0.000 1.030 271 V CA -1.205 61.127 62.300 0.054 0.000 1.033 271 V CB 0.205 32.006 31.823 -0.038 0.000 0.993 271 V HN 0.666 nan 8.190 nan 0.000 0.477 272 P HA 0.011 nan 4.420 nan 0.000 0.261 272 P C 0.311 177.734 177.300 0.206 0.000 1.183 272 P CA 0.028 63.205 63.100 0.128 0.000 0.761 272 P CB 0.332 32.081 31.700 0.082 0.000 0.785 273 D N 1.770 122.244 120.400 0.123 0.000 2.392 273 D HA -0.169 4.888 4.640 0.695 0.000 0.228 273 D C 0.746 176.930 176.300 -0.193 0.000 1.003 273 D CA 0.665 54.603 54.000 -0.103 0.000 0.917 273 D CB -0.581 40.108 40.800 -0.185 0.000 0.890 273 D HN 0.421 nan 8.370 nan 0.000 0.532 274 D N 0.459 120.837 120.400 -0.037 0.000 2.340 274 D HA -0.088 4.969 4.640 0.695 0.000 0.220 274 D C 1.498 177.807 176.300 0.014 0.000 1.039 274 D CA -0.012 53.968 54.000 -0.034 0.000 0.866 274 D CB -0.146 40.651 40.800 -0.006 0.000 0.913 274 D HN 0.310 nan 8.370 nan 0.000 0.523 275 L N -0.371 120.913 121.223 0.102 0.000 2.607 275 L HA 0.200 4.956 4.340 0.695 0.000 0.228 275 L C -0.152 176.887 176.870 0.282 0.000 1.123 275 L CA -0.251 54.697 54.840 0.179 0.000 0.890 275 L CB -0.324 41.859 42.059 0.206 0.000 1.103 275 L HN 0.119 nan 8.230 nan 0.000 0.468 276 Y N -3.293 117.019 120.300 0.021 0.000 2.732 276 Y HA 0.533 5.501 4.550 0.695 0.000 0.342 276 Y C -1.359 174.549 175.900 0.013 0.000 1.203 276 Y CA -1.661 56.452 58.100 0.021 0.000 1.092 276 Y CB 0.625 39.103 38.460 0.030 0.000 1.345 276 Y HN -0.222 nan 8.280 nan 0.000 0.458 277 I N 3.574 124.165 120.570 0.035 0.000 2.321 277 I HA 0.260 4.847 4.170 0.695 0.000 0.291 277 I C -0.243 175.896 176.117 0.037 0.000 0.998 277 I CA -0.771 60.490 61.300 -0.065 0.000 1.227 277 I CB 1.101 39.100 38.000 -0.001 0.000 1.368 277 I HN 0.407 nan 8.210 nan 0.000 0.466 278 K N 4.146 124.494 120.400 -0.087 0.000 2.586 278 K HA 0.001 4.738 4.320 0.695 0.000 0.280 278 K C 0.568 177.211 176.600 0.072 0.000 0.972 278 K CA 0.221 56.541 56.287 0.056 0.000 1.040 278 K CB 0.414 32.904 32.500 -0.016 0.000 0.870 278 K HN 0.859 nan 8.250 nan 0.000 0.497 279 G N 0.618 109.467 108.800 0.083 0.000 2.666 279 G HA2 0.419 4.796 3.960 0.695 0.000 0.207 279 G HA3 0.419 4.796 3.960 0.695 0.000 0.207 279 G C -0.524 174.365 174.900 -0.019 0.000 1.481 279 G CA 0.011 45.112 45.100 0.002 0.000 1.071 279 G HN 0.696 nan 8.290 nan 0.000 0.572 280 S N -3.636 112.032 115.700 -0.054 0.000 2.614 280 S HA 0.556 5.443 4.470 0.695 0.000 0.280 280 S C 0.434 174.999 174.600 -0.058 0.000 1.111 280 S CA 0.278 58.454 58.200 -0.041 0.000 0.847 280 S CB 0.933 64.116 63.200 -0.028 0.000 1.079 280 S HN 2.564 nan 8.310 nan 0.000 0.452 281 G N 2.806 111.583 108.800 -0.038 0.000 2.620 281 G HA2 -0.379 3.998 3.960 0.695 0.000 0.315 281 G HA3 -0.379 3.998 3.960 0.695 0.000 0.315 281 G C 1.320 176.191 174.900 -0.048 0.000 1.179 281 G CA 1.907 46.986 45.100 -0.035 0.000 0.971 281 G HN 2.276 nan 8.290 nan 0.000 0.544 282 S N -0.412 115.247 115.700 -0.068 0.000 2.357 282 S HA -0.021 4.866 4.470 0.695 0.000 0.221 282 S C 2.274 176.724 174.600 -0.249 0.000 1.031 282 S CA 2.624 60.777 58.200 -0.079 0.000 0.982 282 S CB -0.977 62.202 63.200 -0.035 0.000 0.853 282 S HN 2.008 nan 8.310 nan 0.000 0.458 283 T N -0.540 113.781 114.554 -0.388 0.000 3.284 283 T HA 0.524 5.291 4.350 0.695 0.000 0.252 283 T C 1.557 176.110 174.700 -0.246 0.000 1.144 283 T CA 0.428 62.178 62.100 -0.583 0.000 1.021 283 T CB -0.286 68.304 68.868 -0.463 0.000 0.984 283 T HN 0.490 nan 8.240 nan 0.000 0.545 284 A N 2.419 125.160 122.820 -0.132 0.000 1.898 284 A HA 0.045 4.782 4.320 0.695 0.000 0.216 284 A C 1.266 178.847 177.584 -0.004 0.000 1.181 284 A CA 0.555 52.568 52.037 -0.042 0.000 0.620 284 A CB -0.274 18.713 19.000 -0.022 0.000 0.819 284 A HN 0.550 nan 8.150 nan 0.000 0.442 285 N N 0.618 119.320 118.700 0.002 0.000 2.422 285 N HA 0.396 5.553 4.740 0.695 0.000 0.266 285 N C -1.205 174.363 175.510 0.097 0.000 1.007 285 N CA -0.390 52.690 53.050 0.050 0.000 0.941 285 N CB 1.402 39.927 38.487 0.063 0.000 1.115 285 N HN 0.093 nan 8.380 nan 0.000 0.492 286 L N 1.953 123.215 121.223 0.066 0.000 2.455 286 L HA 0.166 4.922 4.340 0.695 0.000 0.272 286 L C 0.837 177.758 176.870 0.086 0.000 1.174 286 L CA 0.013 54.889 54.840 0.059 0.000 0.869 286 L CB 0.098 42.109 42.059 -0.081 0.000 1.130 286 L HN 0.562 nan 8.230 nan 0.000 0.474 287 A N 3.000 125.897 122.820 0.127 0.000 2.332 287 A HA 0.418 5.155 4.320 0.695 0.000 0.258 287 A C 0.391 177.921 177.584 -0.091 0.000 1.087 287 A CA -0.272 51.753 52.037 -0.019 0.000 0.802 287 A CB 0.278 19.158 19.000 -0.201 0.000 1.042 287 A HN 0.725 nan 8.150 nan 0.000 0.489 288 S N 0.436 116.066 115.700 -0.118 0.000 2.575 288 S HA 0.148 5.035 4.470 0.695 0.000 0.295 288 S C 0.964 175.360 174.600 -0.339 0.000 1.267 288 S CA 0.222 58.322 58.200 -0.167 0.000 1.074 288 S CB -0.189 62.938 63.200 -0.122 0.000 0.829 288 S HN 1.465 nan 8.310 nan 0.000 0.497 289 S N 3.254 118.713 115.700 -0.401 0.000 2.561 289 S HA 0.269 5.156 4.470 0.695 0.000 0.245 289 S C -0.027 174.150 174.600 -0.705 0.000 1.001 289 S CA -0.708 57.028 58.200 -0.773 0.000 1.002 289 S CB -0.632 62.357 63.200 -0.352 0.000 0.805 289 S HN 0.785 nan 8.310 nan 0.000 0.458 290 N N 1.883 120.315 118.700 -0.448 0.000 3.322 290 N HA 0.261 5.418 4.740 0.695 0.000 0.290 290 N C -1.168 174.319 175.510 -0.037 0.000 1.297 290 N CA -0.435 52.517 53.050 -0.163 0.000 1.167 290 N CB 0.258 38.708 38.487 -0.062 0.000 1.434 290 N HN 0.450 nan 8.380 nan 0.000 0.526 291 Y N 1.098 121.476 120.300 0.130 0.000 2.379 291 Y HA 0.259 5.226 4.550 0.694 0.000 0.337 291 Y C 0.242 176.298 175.900 0.261 0.000 1.238 291 Y CA -0.661 57.532 58.100 0.154 0.000 1.405 291 Y CB 0.365 38.859 38.460 0.057 0.000 1.310 291 Y HN 0.189 nan 8.280 nan 0.000 0.569 292 F N 1.384 121.495 119.950 0.269 0.000 2.615 292 F HA 0.737 5.680 4.527 0.694 0.000 0.312 292 F C -3.496 172.375 175.800 0.119 0.000 1.119 292 F CA -2.784 55.333 58.000 0.194 0.000 0.979 292 F CB 1.839 40.991 39.000 0.253 0.000 1.266 292 F HN 0.134 nan 8.300 nan 0.000 0.444 293 P HA 0.349 nan 4.420 nan 0.000 0.285 293 P C -1.092 176.075 177.300 -0.222 0.000 1.280 293 P CA -0.369 62.573 63.100 -0.264 0.000 0.862 293 P CB 2.178 33.767 31.700 -0.184 0.000 1.153 294 T N 3.319 117.684 114.554 -0.315 0.000 2.744 294 T HA 0.380 5.147 4.350 0.695 0.000 0.291 294 T C -2.054 172.509 174.700 -0.227 0.000 0.957 294 T CA -1.236 60.771 62.100 -0.154 0.000 1.002 294 T CB 0.730 69.504 68.868 -0.156 0.000 0.919 294 T HN 0.392 nan 8.240 nan 0.000 0.468 295 P HA 0.395 nan 4.420 nan 0.000 0.277 295 P C -0.785 176.342 177.300 -0.288 0.000 1.271 295 P CA -0.598 62.349 63.100 -0.254 0.000 0.795 295 P CB 0.954 32.540 31.700 -0.190 0.000 1.101 296 S N -0.649 114.792 115.700 -0.432 0.000 2.481 296 S HA 0.467 5.354 4.470 0.695 0.000 0.262 296 S C -0.535 173.853 174.600 -0.353 0.000 1.061 296 S CA -0.653 57.243 58.200 -0.506 0.000 1.039 296 S CB -0.444 62.137 63.200 -1.033 0.000 1.170 296 S HN 0.632 nan 8.310 nan 0.000 0.437 297 G N 3.173 111.930 108.800 -0.072 0.000 2.356 297 G HA2 0.448 4.825 3.960 0.695 0.000 0.300 297 G HA3 0.448 4.825 3.960 0.695 0.000 0.300 297 G C 0.588 175.558 174.900 0.116 0.000 1.107 297 G CA -0.063 45.069 45.100 0.053 0.000 0.960 297 G HN 0.770 nan 8.290 nan 0.000 0.418 298 S N 2.512 118.357 115.700 0.242 0.000 2.870 298 S HA 0.021 4.908 4.470 0.695 0.000 0.251 298 S C 1.296 175.983 174.600 0.146 0.000 1.430 298 S CA -0.112 58.252 58.200 0.272 0.000 1.033 298 S CB -0.085 63.262 63.200 0.245 0.000 0.858 298 S HN 0.661 nan 8.310 nan 0.000 0.505 299 M N 1.675 121.341 119.600 0.109 0.000 2.252 299 M HA 0.282 5.179 4.480 0.695 0.000 0.333 299 M C -0.728 175.611 176.300 0.066 0.000 1.111 299 M CA -0.332 55.012 55.300 0.072 0.000 1.140 299 M CB 0.427 33.056 32.600 0.048 0.000 1.538 299 M HN 0.416 nan 8.290 nan 0.000 0.448 300 V N 1.829 121.779 119.914 0.059 0.000 2.547 300 V HA 0.888 5.425 4.120 0.695 0.000 0.299 300 V C -0.318 175.803 176.094 0.044 0.000 1.040 300 V CA -0.534 61.800 62.300 0.058 0.000 0.913 300 V CB 1.309 33.171 31.823 0.065 0.000 0.992 300 V HN 0.929 nan 8.190 nan 0.000 0.449 301 T N 1.209 115.787 114.554 0.040 0.000 2.900 301 T HA 0.438 5.205 4.350 0.695 0.000 0.303 301 T C 0.822 175.538 174.700 0.027 0.000 1.142 301 T CA 0.321 62.438 62.100 0.028 0.000 1.007 301 T CB 2.073 70.954 68.868 0.020 0.000 1.156 301 T HN 0.732 nan 8.240 nan 0.000 0.490 302 S N 1.899 117.611 115.700 0.020 0.000 2.343 302 S HA -0.091 4.796 4.470 0.695 0.000 0.219 302 S C 1.513 176.119 174.600 0.010 0.000 1.033 302 S CA 1.440 59.651 58.200 0.017 0.000 1.014 302 S CB -0.447 62.760 63.200 0.011 0.000 0.915 302 S HN 0.855 nan 8.310 nan 0.000 0.435 303 D N 1.935 122.338 120.400 0.006 0.000 2.239 303 D HA -0.123 4.934 4.640 0.695 0.000 0.202 303 D C 1.537 177.834 176.300 -0.005 0.000 0.993 303 D CA 1.287 55.287 54.000 -0.000 0.000 0.874 303 D CB -0.217 40.583 40.800 -0.001 0.000 0.922 303 D HN 0.468 nan 8.370 nan 0.000 0.464 304 A N 0.279 123.098 122.820 -0.001 0.000 2.345 304 A HA 0.005 4.742 4.320 0.695 0.000 0.225 304 A C 0.940 178.508 177.584 -0.026 0.000 1.243 304 A CA -0.153 51.878 52.037 -0.010 0.000 0.875 304 A CB 0.189 19.190 19.000 0.002 0.000 0.929 304 A HN -0.041 nan 8.150 nan 0.000 0.502 305 Q N -0.026 119.763 119.800 -0.018 0.000 2.361 305 Q HA 0.111 4.868 4.340 0.695 0.000 0.276 305 Q C 0.732 176.653 176.000 -0.132 0.000 1.022 305 Q CA 0.136 55.916 55.803 -0.038 0.000 0.898 305 Q CB 0.890 29.640 28.738 0.020 0.000 1.246 305 Q HN 0.354 nan 8.270 nan 0.000 0.410 306 I N 1.240 121.600 120.570 -0.349 0.000 3.526 306 I HA 0.036 4.623 4.170 0.695 0.000 0.294 306 I C 0.684 176.544 176.117 -0.429 0.000 1.229 306 I CA 0.539 61.540 61.300 -0.498 0.000 1.408 306 I CB -0.016 37.464 38.000 -0.868 0.000 1.127 306 I HN 0.402 nan 8.210 nan 0.000 0.439 307 F N 1.115 121.125 119.950 0.099 0.000 2.364 307 F HA 0.325 5.268 4.527 0.695 0.000 0.316 307 F C 1.343 177.110 175.800 -0.056 0.000 1.133 307 F CA -0.695 57.328 58.000 0.038 0.000 1.051 307 F CB -0.010 38.995 39.000 0.008 0.000 1.342 307 F HN -0.024 nan 8.300 nan 0.000 0.507 308 N N 0.300 119.043 118.700 0.073 0.000 2.725 308 N HA -0.216 4.941 4.740 0.695 0.000 0.249 308 N C -1.075 174.374 175.510 -0.102 0.000 1.103 308 N CA 0.785 53.808 53.050 -0.045 0.000 0.707 308 N CB -1.015 37.468 38.487 -0.006 0.000 1.043 308 N HN 0.578 nan 8.380 nan 0.000 0.553 309 K N -0.068 120.217 120.400 -0.192 0.000 2.498 309 K HA 0.433 5.170 4.320 0.695 0.000 0.254 309 K C -2.608 173.676 176.600 -0.527 0.000 0.933 309 K CA -1.406 54.744 56.287 -0.229 0.000 0.806 309 K CB 3.057 35.502 32.500 -0.092 0.000 1.301 309 K HN -0.161 nan 8.250 nan 0.000 0.432 310 P HA 0.144 nan 4.420 nan 0.000 0.282 310 P C -1.332 175.366 177.300 -1.002 0.000 1.249 310 P CA -0.277 62.257 63.100 -0.943 0.000 0.806 310 P CB 0.509 31.616 31.700 -0.989 0.000 0.984 311 Y N 0.567 120.329 120.300 -0.898 0.000 2.328 311 Y HA 0.315 5.282 4.550 0.694 0.000 0.337 311 Y C -0.040 175.375 175.900 -0.809 0.000 0.966 311 Y CA -0.950 56.675 58.100 -0.791 0.000 1.136 311 Y CB 1.242 39.226 38.460 -0.794 0.000 1.170 311 Y HN 0.325 nan 8.280 nan 0.000 0.470 312 W N 5.481 126.736 121.300 -0.074 0.000 2.317 312 W HA 0.453 5.531 4.660 0.695 0.000 0.327 312 W C -0.593 175.860 176.519 -0.109 0.000 1.036 312 W CA -0.765 56.541 57.345 -0.066 0.000 1.419 312 W CB 0.665 30.125 29.460 -0.001 0.000 1.253 312 W HN 0.406 nan 8.180 nan 0.000 0.392 313 L N 4.896 126.158 121.223 0.065 0.000 2.437 313 L HA 0.054 4.811 4.340 0.695 0.000 0.243 313 L C 1.567 178.471 176.870 0.057 0.000 1.346 313 L CA 0.071 54.909 54.840 -0.003 0.000 1.233 313 L CB -0.503 41.524 42.059 -0.054 0.000 1.436 313 L HN 0.617 nan 8.230 nan 0.000 0.416 314 Q N 0.316 120.176 119.800 0.101 0.000 2.061 314 Q HA 0.033 4.790 4.340 0.695 0.000 0.195 314 Q C 0.649 176.679 176.000 0.051 0.000 0.967 314 Q CA 0.455 56.306 55.803 0.079 0.000 0.829 314 Q CB 0.134 28.923 28.738 0.086 0.000 0.900 314 Q HN 0.374 nan 8.270 nan 0.000 0.450 315 R N 0.758 121.297 120.500 0.064 0.000 2.337 315 R HA 0.565 5.322 4.340 0.695 0.000 0.319 315 R C -1.409 174.938 176.300 0.077 0.000 0.954 315 R CA -0.019 56.116 56.100 0.057 0.000 0.840 315 R CB 1.860 32.193 30.300 0.055 0.000 1.164 315 R HN 0.351 nan 8.270 nan 0.000 0.472 316 A N 2.041 124.905 122.820 0.073 0.000 2.302 316 A HA 0.205 4.941 4.320 0.695 0.000 0.285 316 A C 0.486 178.132 177.584 0.103 0.000 1.105 316 A CA -0.617 51.490 52.037 0.117 0.000 0.816 316 A CB 0.837 19.910 19.000 0.121 0.000 1.067 316 A HN 0.779 nan 8.150 nan 0.000 0.489 317 Q N 1.174 121.042 119.800 0.113 0.000 2.389 317 Q HA 0.224 4.981 4.340 0.695 0.000 0.204 317 Q C 0.790 176.815 176.000 0.041 0.000 0.944 317 Q CA 0.895 56.739 55.803 0.069 0.000 0.908 317 Q CB -0.732 28.047 28.738 0.067 0.000 1.002 317 Q HN 0.700 nan 8.270 nan 0.000 0.493 318 G N -0.896 107.960 108.800 0.093 0.000 2.531 318 G HA2 0.293 4.670 3.960 0.695 0.000 0.313 318 G HA3 0.293 4.670 3.960 0.695 0.000 0.313 318 G C -0.523 174.425 174.900 0.081 0.000 1.238 318 G CA -0.604 44.533 45.100 0.061 0.000 0.994 318 G HN 0.319 nan 8.290 nan 0.000 0.493 319 H N -1.033 118.163 119.070 0.210 0.000 2.470 319 H HA 0.006 4.979 4.556 0.695 0.000 0.289 319 H C 0.755 176.235 175.328 0.254 0.000 1.033 319 H CA 0.319 56.501 56.048 0.224 0.000 1.331 319 H CB 0.444 30.367 29.762 0.268 0.000 1.414 319 H HN 0.288 nan 8.280 nan 0.000 0.545 320 N N 1.456 120.409 118.700 0.422 0.000 2.415 320 N HA -0.073 5.083 4.740 0.695 0.000 0.246 320 N C -0.813 174.786 175.510 0.149 0.000 1.078 320 N CA -0.050 53.222 53.050 0.370 0.000 0.942 320 N CB 0.125 38.929 38.487 0.528 0.000 1.140 320 N HN 0.143 nan 8.380 nan 0.000 0.501 321 N N 3.068 121.768 118.700 0.000 0.000 3.303 321 N HA 0.146 5.303 4.740 0.695 0.000 0.304 321 N C 0.430 175.696 175.510 -0.406 0.000 1.302 321 N CA 0.444 53.411 53.050 -0.138 0.000 1.213 321 N CB -0.624 37.823 38.487 -0.067 0.000 1.481 321 N HN 0.817 nan 8.380 nan 0.000 0.546 322 G N 1.439 109.654 108.800 -0.975 0.000 2.176 322 G HA2 -0.232 4.145 3.960 0.695 0.000 0.252 322 G HA3 -0.232 4.145 3.960 0.695 0.000 0.252 322 G C 0.112 174.614 174.900 -0.665 0.000 1.024 322 G CA -0.284 43.916 45.100 -1.500 0.000 0.755 322 G HN 0.409 nan 8.290 nan 0.000 0.507 323 I N 0.480 120.764 120.570 -0.477 0.000 2.441 323 I HA 0.208 4.795 4.170 0.695 0.000 0.287 323 I C 1.077 176.982 176.117 -0.353 0.000 1.049 323 I CA -1.000 60.003 61.300 -0.494 0.000 1.381 323 I CB 0.942 38.403 38.000 -0.898 0.000 1.409 323 I HN 0.147 nan 8.210 nan 0.000 0.523 324 C N 6.462 125.660 119.300 -0.171 0.000 2.700 324 C HA 0.208 5.085 4.460 0.695 0.000 0.529 324 C C 0.396 175.411 174.990 0.042 0.000 1.093 324 C CA -1.112 57.939 59.018 0.055 0.000 1.320 324 C CB -2.172 25.675 27.740 0.179 0.000 1.478 324 C HN 0.620 nan 8.230 nan 0.000 0.598 325 W N 0.527 121.935 121.300 0.180 0.000 2.314 325 W HA 0.354 5.431 4.660 0.695 0.000 0.339 325 W C 1.382 177.930 176.519 0.049 0.000 1.293 325 W CA 1.390 58.787 57.345 0.086 0.000 1.288 325 W CB 0.203 29.689 29.460 0.043 0.000 1.186 325 W HN 0.881 nan 8.180 nan 0.000 0.566 326 G N 2.199 111.149 108.800 0.249 0.000 2.162 326 G HA2 -0.421 3.955 3.960 0.695 0.000 0.260 326 G HA3 -0.421 3.955 3.960 0.695 0.000 0.260 326 G C 0.450 175.426 174.900 0.127 0.000 0.976 326 G CA 0.099 45.278 45.100 0.132 0.000 0.655 326 G HN 0.822 nan 8.290 nan 0.000 0.533 327 N N -0.849 117.939 118.700 0.147 0.000 2.725 327 N HA -0.175 4.982 4.740 0.695 0.000 0.249 327 N C 0.368 175.895 175.510 0.030 0.000 1.103 327 N CA 2.002 55.119 53.050 0.113 0.000 0.707 327 N CB -0.882 37.673 38.487 0.113 0.000 1.043 327 N HN 0.862 nan 8.380 nan 0.000 0.553 328 Q N -0.270 119.551 119.800 0.035 0.000 2.306 328 Q HA 0.751 5.508 4.340 0.695 0.000 0.269 328 Q C -0.541 175.427 176.000 -0.054 0.000 1.053 328 Q CA -0.694 55.063 55.803 -0.077 0.000 0.879 328 Q CB 2.134 30.855 28.738 -0.028 0.000 1.344 328 Q HN 0.205 nan 8.270 nan 0.000 0.464 329 L N 1.657 122.757 121.223 -0.206 0.000 2.705 329 L HA 0.425 5.182 4.340 0.695 0.000 0.260 329 L C -2.068 174.653 176.870 -0.249 0.000 0.921 329 L CA -0.162 54.636 54.840 -0.069 0.000 0.948 329 L CB 1.373 43.419 42.059 -0.023 0.000 1.427 329 L HN 0.641 nan 8.230 nan 0.000 0.432 330 F N 3.881 123.790 119.950 -0.068 0.000 2.458 330 F HA 0.623 5.567 4.527 0.694 0.000 0.336 330 F C 0.293 176.116 175.800 0.038 0.000 1.114 330 F CA -0.553 57.398 58.000 -0.081 0.000 0.987 330 F CB 2.123 41.022 39.000 -0.169 0.000 1.130 330 F HN 0.103 nan 8.300 nan 0.000 0.458 331 V N 3.096 123.188 119.914 0.296 0.000 2.380 331 V HA 0.330 4.866 4.120 0.695 0.000 0.286 331 V C -0.444 175.871 176.094 0.369 0.000 1.015 331 V CA -0.624 61.894 62.300 0.364 0.000 0.834 331 V CB 1.572 33.654 31.823 0.431 0.000 1.009 331 V HN 0.773 nan 8.190 nan 0.000 0.428 332 T N 4.565 119.282 114.554 0.272 0.000 2.837 332 T HA 0.735 5.502 4.350 0.695 0.000 0.285 332 T C -0.280 174.584 174.700 0.272 0.000 0.984 332 T CA -0.376 61.850 62.100 0.211 0.000 1.049 332 T CB 1.829 70.788 68.868 0.151 0.000 0.947 332 T HN 0.334 nan 8.240 nan 0.000 0.472 333 V N 2.810 122.872 119.914 0.245 0.000 3.049 333 V HA 0.713 5.250 4.120 0.695 0.000 0.309 333 V C -0.931 175.277 176.094 0.189 0.000 1.148 333 V CA -0.752 61.721 62.300 0.289 0.000 0.990 333 V CB 2.582 34.629 31.823 0.374 0.000 1.039 333 V HN 0.695 nan 8.190 nan 0.000 0.430 334 V N 2.221 122.246 119.914 0.185 0.000 2.655 334 V HA 0.558 5.095 4.120 0.695 0.000 0.301 334 V C -1.696 174.504 176.094 0.177 0.000 1.082 334 V CA -0.382 61.955 62.300 0.062 0.000 0.899 334 V CB 2.052 33.789 31.823 -0.143 0.000 1.014 334 V HN 0.988 nan 8.190 nan 0.000 0.429 335 D N 2.624 123.097 120.400 0.121 0.000 2.479 335 D HA 0.390 5.447 4.640 0.695 0.000 0.246 335 D C 0.567 176.941 176.300 0.123 0.000 1.336 335 D CA 0.074 54.166 54.000 0.152 0.000 0.967 335 D CB 2.112 42.855 40.800 -0.096 0.000 1.275 335 D HN 0.609 nan 8.370 nan 0.000 0.577 336 T N -0.480 114.160 114.554 0.143 0.000 3.186 336 T HA 0.076 4.843 4.350 0.695 0.000 0.257 336 T C 1.187 175.963 174.700 0.128 0.000 1.029 336 T CA 0.339 62.514 62.100 0.126 0.000 0.916 336 T CB -0.210 68.732 68.868 0.123 0.000 1.041 336 T HN 0.298 nan 8.240 nan 0.000 0.562 337 T N -0.591 114.044 114.554 0.136 0.000 3.188 337 T HA 0.328 5.095 4.350 0.695 0.000 0.250 337 T C 0.979 175.735 174.700 0.092 0.000 1.077 337 T CA -0.553 61.618 62.100 0.118 0.000 0.967 337 T CB -0.235 68.716 68.868 0.137 0.000 1.006 337 T HN 0.399 nan 8.240 nan 0.000 0.552 338 R N 0.644 121.201 120.500 0.095 0.000 2.569 338 R HA 0.196 4.953 4.340 0.695 0.000 0.429 338 R C 0.932 177.329 176.300 0.163 0.000 0.994 338 R CA 0.171 56.315 56.100 0.074 0.000 1.089 338 R CB 0.553 30.861 30.300 0.014 0.000 1.420 338 R HN 0.425 nan 8.270 nan 0.000 0.615 339 S N -0.978 114.840 115.700 0.197 0.000 2.701 339 S HA 0.008 4.894 4.470 0.695 0.000 0.220 339 S C 0.784 175.567 174.600 0.305 0.000 0.954 339 S CA -0.213 58.172 58.200 0.307 0.000 0.936 339 S CB 0.017 63.305 63.200 0.147 0.000 0.777 339 S HN 0.029 nan 8.310 nan 0.000 0.518 340 T N 4.152 118.806 114.554 0.167 0.000 2.866 340 T HA 0.045 4.812 4.350 0.695 0.000 0.293 340 T C 0.043 174.812 174.700 0.116 0.000 1.005 340 T CA 0.513 62.665 62.100 0.086 0.000 1.162 340 T CB -0.216 68.653 68.868 0.003 0.000 0.968 340 T HN 0.542 nan 8.240 nan 0.000 0.530 341 N N 2.721 121.476 118.700 0.091 0.000 2.405 341 N HA 0.554 5.711 4.740 0.695 0.000 0.299 341 N C -0.163 175.326 175.510 -0.035 0.000 1.075 341 N CA -0.819 52.254 53.050 0.040 0.000 0.884 341 N CB 1.242 39.703 38.487 -0.043 0.000 1.194 341 N HN 0.590 nan 8.380 nan 0.000 0.491 342 M N -0.271 119.290 119.600 -0.065 0.000 2.243 342 M HA 0.497 5.394 4.480 0.695 0.000 0.324 342 M C -0.723 175.546 176.300 -0.052 0.000 1.031 342 M CA -0.854 54.413 55.300 -0.054 0.000 0.949 342 M CB 1.555 34.121 32.600 -0.057 0.000 1.615 342 M HN 0.384 nan 8.290 nan 0.000 0.430 343 S N 5.577 121.260 115.700 -0.029 0.000 2.513 343 S HA 0.740 5.626 4.470 0.695 0.000 0.276 343 S C -0.397 174.217 174.600 0.024 0.000 1.254 343 S CA -0.899 57.300 58.200 -0.001 0.000 1.053 343 S CB 0.652 63.858 63.200 0.009 0.000 0.958 343 S HN 0.842 nan 8.310 nan 0.000 0.491 344 L N 1.499 122.761 121.223 0.064 0.000 2.406 344 L HA 0.829 5.585 4.340 0.695 0.000 0.272 344 L C -0.474 176.500 176.870 0.173 0.000 0.980 344 L CA -1.046 53.837 54.840 0.071 0.000 0.831 344 L CB 1.011 43.081 42.059 0.018 0.000 1.253 344 L HN 0.883 nan 8.230 nan 0.000 0.406 345 C N 1.653 121.053 119.300 0.167 0.000 2.456 345 C HA 0.999 5.876 4.460 0.695 0.000 0.325 345 C C 0.471 175.611 174.990 0.250 0.000 1.217 345 C CA -0.124 59.055 59.018 0.267 0.000 1.687 345 C CB 0.887 28.755 27.740 0.213 0.000 2.270 345 C HN 1.157 nan 8.230 nan 0.000 0.499 346 A N 2.771 125.779 122.820 0.313 0.000 2.337 346 A HA 0.877 5.613 4.320 0.695 0.000 0.329 346 A C 0.205 177.962 177.584 0.288 0.000 1.146 346 A CA -0.022 52.163 52.037 0.246 0.000 0.800 346 A CB 0.859 19.957 19.000 0.163 0.000 1.220 346 A HN 2.202 nan 8.150 nan 0.000 0.472 347 A N 1.403 124.370 122.820 0.246 0.000 2.363 347 A HA 0.513 5.250 4.320 0.695 0.000 0.270 347 A C 0.817 178.358 177.584 -0.073 0.000 1.121 347 A CA -0.322 51.737 52.037 0.037 0.000 0.800 347 A CB 0.070 19.111 19.000 0.068 0.000 1.052 347 A HN 1.192 nan 8.150 nan 0.000 0.493 348 I N 1.382 121.830 120.570 -0.204 0.000 2.617 348 I HA 0.015 4.602 4.170 0.695 0.000 0.256 348 I C 0.831 176.874 176.117 -0.122 0.000 1.167 348 I CA 1.200 62.424 61.300 -0.125 0.000 1.469 348 I CB 0.188 38.104 38.000 -0.140 0.000 1.098 348 I HN 0.577 nan 8.210 nan 0.000 0.436 349 S N -1.126 114.464 115.700 -0.184 0.000 2.541 349 S HA 0.344 5.231 4.470 0.695 0.000 0.280 349 S C 0.279 174.813 174.600 -0.110 0.000 1.112 349 S CA -0.213 57.910 58.200 -0.129 0.000 0.925 349 S CB 1.377 64.494 63.200 -0.137 0.000 1.067 349 S HN 0.254 nan 8.310 nan 0.000 0.479 350 T N 1.090 115.617 114.554 -0.045 0.000 3.243 350 T HA 0.348 5.114 4.350 0.695 0.000 0.264 350 T C 0.851 175.553 174.700 0.002 0.000 1.000 350 T CA -0.278 61.820 62.100 -0.003 0.000 0.901 350 T CB -0.052 68.827 68.868 0.018 0.000 1.083 350 T HN 0.336 nan 8.240 nan 0.000 0.559 351 S N 1.735 117.424 115.700 -0.019 0.000 2.566 351 S HA 0.191 5.078 4.470 0.695 0.000 0.166 351 S C 0.095 174.697 174.600 0.003 0.000 0.811 351 S CA -0.449 57.746 58.200 -0.009 0.000 0.940 351 S CB -0.384 62.804 63.200 -0.021 0.000 0.768 351 S HN 0.657 nan 8.310 nan 0.000 0.534 352 E N 2.680 122.873 120.200 -0.011 0.000 2.892 352 E HA -0.040 4.726 4.350 0.695 0.000 0.273 352 E C 0.417 177.039 176.600 0.037 0.000 0.921 352 E CA 0.713 57.115 56.400 0.004 0.000 0.968 352 E CB -0.361 29.330 29.700 -0.016 0.000 0.941 352 E HN 0.568 nan 8.360 nan 0.000 0.492 353 T N -0.754 113.829 114.554 0.048 0.000 3.251 353 T HA 0.187 4.954 4.350 0.695 0.000 0.259 353 T C -0.007 174.748 174.700 0.090 0.000 0.998 353 T CA -0.610 61.532 62.100 0.071 0.000 0.905 353 T CB -0.129 68.772 68.868 0.054 0.000 1.067 353 T HN 0.295 nan 8.240 nan 0.000 0.569 354 T N 1.887 116.498 114.554 0.094 0.000 2.841 354 T HA 0.361 5.128 4.350 0.695 0.000 0.285 354 T C -1.114 173.685 174.700 0.165 0.000 0.991 354 T CA -0.640 61.531 62.100 0.119 0.000 0.966 354 T CB 1.065 69.980 68.868 0.077 0.000 0.962 354 T HN 0.340 nan 8.240 nan 0.000 0.438 355 Y N 3.342 123.716 120.300 0.123 0.000 2.712 355 Y HA 0.261 4.842 4.550 0.052 0.000 0.333 355 Y C 0.255 176.257 175.900 0.170 0.000 1.225 355 Y CA 0.399 58.619 58.100 0.200 0.000 1.499 355 Y CB 0.357 38.893 38.460 0.127 0.000 1.288 355 Y HN 0.472 nan 8.280 nan 0.000 0.575 356 K N 5.203 125.335 120.400 -0.447 0.000 2.615 356 K HA 0.181 4.917 4.320 0.695 0.000 0.249 356 K C 0.014 176.347 176.600 -0.446 0.000 0.977 356 K CA -0.603 55.504 56.287 -0.299 0.000 0.833 356 K CB 1.407 33.793 32.500 -0.189 0.000 1.208 356 K HN 0.694 nan 8.250 nan 0.000 0.443 357 N N 0.161 118.734 118.700 -0.213 0.000 2.192 357 N HA -0.215 4.941 4.740 0.695 0.000 0.188 357 N C 1.555 177.049 175.510 -0.028 0.000 1.013 357 N CA 2.024 55.061 53.050 -0.021 0.000 0.863 357 N CB 0.013 38.579 38.487 0.132 0.000 0.990 357 N HN 0.669 nan 8.380 nan 0.000 0.430 358 T N -2.219 112.285 114.554 -0.085 0.000 3.035 358 T HA -0.053 4.714 4.350 0.695 0.000 0.268 358 T C 1.492 176.086 174.700 -0.177 0.000 1.109 358 T CA 0.952 62.996 62.100 -0.093 0.000 1.119 358 T CB -0.236 68.584 68.868 -0.081 0.000 0.900 358 T HN 0.126 nan 8.240 nan 0.000 0.503 359 N N 0.264 118.764 118.700 -0.334 0.000 2.463 359 N HA 0.143 5.300 4.740 0.695 0.000 0.181 359 N C -0.783 174.228 175.510 -0.832 0.000 1.078 359 N CA -0.034 52.647 53.050 -0.615 0.000 0.902 359 N CB -0.133 37.845 38.487 -0.848 0.000 0.970 359 N HN 0.480 nan 8.380 nan 0.000 0.451 360 F N 0.298 120.186 119.950 -0.104 0.000 2.493 360 F HA 0.447 5.364 4.527 0.650 0.000 0.329 360 F C 0.030 175.824 175.800 -0.009 0.000 1.126 360 F CA -1.050 56.934 58.000 -0.027 0.000 0.937 360 F CB 1.720 40.722 39.000 0.003 0.000 1.146 360 F HN -0.389 nan 8.300 nan 0.000 0.442 361 K N 3.160 123.668 120.400 0.181 0.000 2.264 361 K HA 0.243 4.980 4.320 0.695 0.000 0.277 361 K C -0.422 176.187 176.600 0.014 0.000 1.067 361 K CA -0.595 55.711 56.287 0.031 0.000 0.900 361 K CB 0.848 33.381 32.500 0.055 0.000 1.124 361 K HN 0.481 nan 8.250 nan 0.000 0.469 362 E N 2.704 122.840 120.200 -0.106 0.000 2.283 362 E HA 0.204 4.971 4.350 0.695 0.000 0.278 362 E C -0.694 175.783 176.600 -0.205 0.000 1.027 362 E CA -0.098 56.289 56.400 -0.023 0.000 0.843 362 E CB 0.922 30.635 29.700 0.023 0.000 1.062 362 E HN 0.342 nan 8.360 nan 0.000 0.401 363 Y N 0.493 120.826 120.300 0.055 0.000 2.698 363 Y HA 0.559 5.527 4.550 0.696 0.000 0.332 363 Y C -0.091 175.787 175.900 -0.037 0.000 1.119 363 Y CA -0.959 57.165 58.100 0.041 0.000 1.109 363 Y CB 1.428 39.916 38.460 0.046 0.000 1.308 363 Y HN 0.240 nan 8.280 nan 0.000 0.499 364 L N 1.926 123.186 121.223 0.061 0.000 2.464 364 L HA 0.659 5.416 4.340 0.695 0.000 0.266 364 L C -0.964 175.722 176.870 -0.308 0.000 0.965 364 L CA -0.863 53.849 54.840 -0.214 0.000 0.833 364 L CB 2.067 43.833 42.059 -0.488 0.000 1.296 364 L HN 0.539 nan 8.230 nan 0.000 0.405 365 R N 1.486 121.856 120.500 -0.217 0.000 2.740 365 R HA 0.519 5.275 4.340 0.695 0.000 0.273 365 R C -1.547 174.699 176.300 -0.089 0.000 0.998 365 R CA -0.851 55.157 56.100 -0.153 0.000 0.900 365 R CB 2.551 32.804 30.300 -0.078 0.000 1.223 365 R HN 0.587 nan 8.270 nan 0.000 0.466 366 H N -0.085 118.901 119.070 -0.140 0.000 2.771 366 H HA 0.557 5.530 4.556 0.694 0.000 0.361 366 H C -1.124 174.191 175.328 -0.022 0.000 1.108 366 H CA -0.361 55.635 56.048 -0.086 0.000 1.201 366 H CB 2.254 31.958 29.762 -0.097 0.000 1.681 366 H HN 0.789 nan 8.280 nan 0.000 0.534 367 G N 2.681 111.217 108.800 -0.441 0.000 2.452 367 G HA2 0.418 4.795 3.960 0.695 0.000 0.324 367 G HA3 0.418 4.795 3.960 0.695 0.000 0.324 367 G C -1.133 173.664 174.900 -0.171 0.000 1.214 367 G CA -0.512 44.486 45.100 -0.170 0.000 0.947 367 G HN 0.526 nan 8.290 nan 0.000 0.478 368 E N -0.038 120.219 120.200 0.096 0.000 2.248 368 E HA 0.465 5.232 4.350 0.695 0.000 0.267 368 E C -1.026 175.679 176.600 0.175 0.000 0.877 368 E CA -0.622 55.883 56.400 0.175 0.000 0.759 368 E CB 2.159 32.104 29.700 0.410 0.000 1.182 368 E HN 0.488 nan 8.360 nan 0.000 0.418 369 E N 3.322 123.535 120.200 0.022 0.000 2.218 369 E HA 0.332 5.098 4.350 0.695 0.000 0.263 369 E C -1.405 175.096 176.600 -0.166 0.000 0.879 369 E CA -0.556 55.849 56.400 0.009 0.000 0.762 369 E CB 0.762 30.436 29.700 -0.044 0.000 1.166 369 E HN 0.443 nan 8.360 nan 0.000 0.415 370 Y N 1.660 121.908 120.300 -0.086 0.000 2.630 370 Y HA 0.440 5.406 4.550 0.694 0.000 0.337 370 Y C -0.586 175.193 175.900 -0.200 0.000 1.051 370 Y CA -0.879 57.107 58.100 -0.189 0.000 1.121 370 Y CB 2.176 40.445 38.460 -0.318 0.000 1.299 370 Y HN 0.538 nan 8.280 nan 0.000 0.498 371 D N 0.952 121.306 120.400 -0.078 0.000 2.312 371 D HA 0.314 5.371 4.640 0.695 0.000 0.229 371 D C -1.964 174.220 176.300 -0.193 0.000 1.337 371 D CA -0.176 53.754 54.000 -0.117 0.000 0.964 371 D CB 0.380 41.130 40.800 -0.083 0.000 1.456 371 D HN 0.424 nan 8.370 nan 0.000 0.547 372 L N 2.654 123.725 121.223 -0.253 0.000 2.326 372 L HA 0.547 5.304 4.340 0.695 0.000 0.278 372 L C 0.135 176.795 176.870 -0.350 0.000 1.092 372 L CA -0.466 54.156 54.840 -0.363 0.000 0.810 372 L CB 1.343 43.220 42.059 -0.304 0.000 1.153 372 L HN 0.368 nan 8.230 nan 0.000 0.439 373 Q N 3.025 122.413 119.800 -0.686 0.000 2.331 373 Q HA 0.684 5.440 4.340 0.695 0.000 0.272 373 Q C -1.594 173.830 176.000 -0.960 0.000 1.062 373 Q CA -0.534 54.925 55.803 -0.573 0.000 0.806 373 Q CB 2.774 31.314 28.738 -0.329 0.000 1.312 373 Q HN 0.329 nan 8.270 nan 0.000 0.431 374 F N 0.860 120.431 119.950 -0.632 0.000 2.629 374 F HA 0.614 5.557 4.527 0.695 0.000 0.316 374 F C -0.617 174.692 175.800 -0.818 0.000 1.081 374 F CA -1.140 56.426 58.000 -0.724 0.000 0.954 374 F CB 1.378 39.851 39.000 -0.879 0.000 1.337 374 F HN 0.292 nan 8.300 nan 0.000 0.474 375 I N 2.375 122.581 120.570 -0.605 0.000 2.447 375 I HA 0.362 4.949 4.170 0.695 0.000 0.287 375 I C -1.159 174.599 176.117 -0.598 0.000 1.023 375 I CA -0.803 60.177 61.300 -0.533 0.000 1.083 375 I CB 1.152 38.800 38.000 -0.586 0.000 1.245 375 I HN 0.393 nan 8.210 nan 0.000 0.434 376 F N 3.880 123.665 119.950 -0.275 0.000 2.492 376 F HA 0.492 5.436 4.527 0.695 0.000 0.327 376 F C 0.543 176.386 175.800 0.072 0.000 1.079 376 F CA -0.635 57.276 58.000 -0.150 0.000 0.967 376 F CB 1.703 40.459 39.000 -0.407 0.000 1.169 376 F HN 0.369 nan 8.300 nan 0.000 0.472 377 Q N 2.825 122.807 119.800 0.302 0.000 2.322 377 Q HA 0.451 5.207 4.340 0.695 0.000 0.265 377 Q C -1.274 174.827 176.000 0.168 0.000 0.985 377 Q CA -1.176 54.645 55.803 0.031 0.000 0.849 377 Q CB 1.847 30.498 28.738 -0.145 0.000 1.274 377 Q HN 0.680 nan 8.270 nan 0.000 0.449 378 L N 3.441 124.696 121.223 0.052 0.000 2.456 378 L HA 0.257 5.014 4.340 0.695 0.000 0.272 378 L C -1.219 175.483 176.870 -0.279 0.000 1.189 378 L CA 0.513 55.216 54.840 -0.228 0.000 0.846 378 L CB 0.747 42.532 42.059 -0.458 0.000 1.111 378 L HN 0.803 nan 8.230 nan 0.000 0.475 379 C N 3.672 122.792 119.300 -0.301 0.000 2.994 379 C HA 0.727 5.604 4.460 0.695 0.000 0.304 379 C C -0.701 174.156 174.990 -0.223 0.000 1.273 379 C CA -1.055 57.835 59.018 -0.214 0.000 1.537 379 C CB 2.161 29.814 27.740 -0.146 0.000 2.001 379 C HN 0.894 nan 8.230 nan 0.000 0.471 380 K N 0.927 121.247 120.400 -0.133 0.000 2.375 380 K HA 0.898 5.635 4.320 0.695 0.000 0.249 380 K C -1.757 174.840 176.600 -0.006 0.000 0.942 380 K CA -0.506 55.717 56.287 -0.107 0.000 0.806 380 K CB 1.380 33.851 32.500 -0.049 0.000 1.227 380 K HN 0.344 nan 8.250 nan 0.000 0.430 381 I N 1.669 122.238 120.570 -0.002 0.000 2.439 381 I HA 0.146 4.733 4.170 0.695 0.000 0.283 381 I C -0.680 175.467 176.117 0.049 0.000 1.023 381 I CA -0.359 61.001 61.300 0.099 0.000 1.100 381 I CB 2.044 40.196 38.000 0.253 0.000 1.238 381 I HN 0.647 nan 8.210 nan 0.000 0.445 382 T N 6.981 121.577 114.554 0.071 0.000 2.769 382 T HA 0.282 5.049 4.350 0.695 0.000 0.293 382 T C 0.755 175.491 174.700 0.061 0.000 0.931 382 T CA -0.232 61.896 62.100 0.046 0.000 1.139 382 T CB 0.052 68.947 68.868 0.044 0.000 0.881 382 T HN 0.310 nan 8.240 nan 0.000 0.532 383 L N 5.065 126.313 121.223 0.041 0.000 2.376 383 L HA 0.132 4.889 4.340 0.695 0.000 0.250 383 L C 1.701 178.602 176.870 0.051 0.000 1.335 383 L CA -0.616 54.263 54.840 0.065 0.000 1.214 383 L CB -1.304 40.793 42.059 0.063 0.000 1.395 383 L HN 0.767 nan 8.230 nan 0.000 0.424 384 T N -2.504 112.079 114.554 0.049 0.000 2.732 384 T HA 0.387 5.154 4.350 0.695 0.000 0.287 384 T C 1.436 176.155 174.700 0.032 0.000 0.993 384 T CA -0.029 62.091 62.100 0.034 0.000 0.966 384 T CB 1.554 70.440 68.868 0.031 0.000 1.047 384 T HN 0.322 nan 8.240 nan 0.000 0.527 385 A N 1.059 123.892 122.820 0.022 0.000 1.835 385 A HA -0.081 4.656 4.320 0.695 0.000 0.215 385 A C 1.920 179.517 177.584 0.021 0.000 1.199 385 A CA 2.146 54.193 52.037 0.017 0.000 0.615 385 A CB -1.566 17.440 19.000 0.010 0.000 0.838 385 A HN 0.969 nan 8.150 nan 0.000 0.444 386 D N -0.219 120.194 120.400 0.022 0.000 2.116 386 D HA -0.137 4.920 4.640 0.695 0.000 0.193 386 D C 1.770 178.086 176.300 0.027 0.000 0.998 386 D CA 1.601 55.617 54.000 0.027 0.000 0.836 386 D CB -0.434 40.377 40.800 0.019 0.000 0.951 386 D HN 0.210 nan 8.370 nan 0.000 0.449 387 V N 0.616 120.537 119.914 0.011 0.000 2.287 387 V HA -0.278 4.259 4.120 0.695 0.000 0.248 387 V C 2.331 178.441 176.094 0.027 0.000 1.053 387 V CA 1.581 63.872 62.300 -0.015 0.000 1.027 387 V CB -0.459 31.383 31.823 0.031 0.000 0.646 387 V HN 0.298 nan 8.190 nan 0.000 0.447 388 M N -0.414 119.219 119.600 0.054 0.000 2.229 388 M HA -0.137 4.760 4.480 0.695 0.000 0.264 388 M C 2.194 178.532 176.300 0.063 0.000 1.063 388 M CA 1.803 57.145 55.300 0.070 0.000 1.114 388 M CB -0.717 31.921 32.600 0.062 0.000 1.387 388 M HN 0.452 nan 8.290 nan 0.000 0.420 389 T N -0.500 114.083 114.554 0.049 0.000 2.770 389 T HA -0.172 4.595 4.350 0.695 0.000 0.263 389 T C 1.535 176.282 174.700 0.078 0.000 1.039 389 T CA 1.187 63.314 62.100 0.045 0.000 1.142 389 T CB -0.522 68.367 68.868 0.034 0.000 0.868 389 T HN 0.358 nan 8.240 nan 0.000 0.435 390 Y N 1.734 121.990 120.300 -0.072 0.000 2.049 390 Y HA -0.177 4.790 4.550 0.695 0.000 0.277 390 Y C 2.093 177.873 175.900 -0.200 0.000 1.143 390 Y CA 1.225 59.249 58.100 -0.128 0.000 1.115 390 Y CB -0.523 37.798 38.460 -0.232 0.000 0.975 390 Y HN 0.001 nan 8.280 nan 0.000 0.487 391 I N 0.377 120.933 120.570 -0.023 0.000 2.248 391 I HA -0.359 4.228 4.170 0.695 0.000 0.248 391 I C 2.625 178.579 176.117 -0.271 0.000 1.107 391 I CA 1.942 63.101 61.300 -0.235 0.000 1.373 391 I CB -1.235 36.653 38.000 -0.186 0.000 1.055 391 I HN 0.472 nan 8.210 nan 0.000 0.418 392 H N 0.331 119.283 119.070 -0.197 0.000 2.321 392 H HA -0.107 4.866 4.556 0.695 0.000 0.300 392 H C 2.215 177.421 175.328 -0.203 0.000 1.087 392 H CA 1.942 57.886 56.048 -0.173 0.000 1.319 392 H CB 0.243 29.947 29.762 -0.098 0.000 1.379 392 H HN 0.277 nan 8.280 nan 0.000 0.501 393 S N 0.912 116.525 115.700 -0.145 0.000 2.356 393 S HA -0.165 4.722 4.470 0.695 0.000 0.223 393 S C 2.377 176.780 174.600 -0.328 0.000 1.032 393 S CA 1.296 59.387 58.200 -0.182 0.000 1.005 393 S CB -0.344 62.790 63.200 -0.110 0.000 0.867 393 S HN 0.438 nan 8.310 nan 0.000 0.449 394 M N 1.197 120.488 119.600 -0.516 0.000 2.073 394 M HA -0.128 4.769 4.480 0.695 0.000 0.258 394 M C 0.511 176.437 176.300 -0.625 0.000 1.070 394 M CA 1.603 56.404 55.300 -0.832 0.000 1.103 394 M CB -0.005 31.906 32.600 -1.148 0.000 1.321 394 M HN 0.322 nan 8.290 nan 0.000 0.405 395 N N -0.653 117.717 118.700 -0.550 0.000 2.976 395 N HA 0.095 5.252 4.740 0.695 0.000 0.220 395 N C -0.169 175.088 175.510 -0.421 0.000 1.428 395 N CA -0.143 52.644 53.050 -0.438 0.000 0.748 395 N CB 0.753 38.983 38.487 -0.428 0.000 1.484 395 N HN 0.049 nan 8.380 nan 0.000 0.578 396 S N -0.008 115.420 115.700 -0.453 0.000 2.421 396 S HA -0.264 4.623 4.470 0.695 0.000 0.239 396 S C 2.153 176.596 174.600 -0.262 0.000 1.054 396 S CA 2.467 60.403 58.200 -0.441 0.000 1.035 396 S CB -0.391 62.504 63.200 -0.509 0.000 0.840 396 S HN 0.865 nan 8.310 nan 0.000 0.475 397 T N 0.999 115.414 114.554 -0.232 0.000 2.803 397 T HA -0.065 4.702 4.350 0.695 0.000 0.269 397 T C 1.673 176.225 174.700 -0.247 0.000 1.052 397 T CA 1.078 63.072 62.100 -0.177 0.000 1.136 397 T CB -0.615 68.176 68.868 -0.127 0.000 0.864 397 T HN 0.331 nan 8.240 nan 0.000 0.467 398 I N 1.638 121.987 120.570 -0.369 0.000 2.068 398 I HA -0.196 4.391 4.170 0.695 0.000 0.238 398 I C 2.691 178.398 176.117 -0.684 0.000 1.046 398 I CA 1.743 62.672 61.300 -0.618 0.000 1.306 398 I CB -1.142 36.396 38.000 -0.770 0.000 1.023 398 I HN 0.332 nan 8.210 nan 0.000 0.399 399 L N 0.330 121.333 121.223 -0.367 0.000 2.046 399 L HA -0.191 4.566 4.340 0.695 0.000 0.208 399 L C 2.618 179.509 176.870 0.036 0.000 1.077 399 L CA 1.356 56.173 54.840 -0.039 0.000 0.747 399 L CB -0.703 41.396 42.059 0.067 0.000 0.896 399 L HN 0.298 nan 8.230 nan 0.000 0.432 400 E N 0.162 120.346 120.200 -0.027 0.000 2.085 400 E HA -0.229 4.538 4.350 0.695 0.000 0.194 400 E C 1.589 178.206 176.600 0.028 0.000 0.994 400 E CA 1.376 57.784 56.400 0.012 0.000 0.801 400 E CB -0.184 29.507 29.700 -0.014 0.000 0.743 400 E HN 0.527 nan 8.360 nan 0.000 0.453 401 D N -0.366 120.016 120.400 -0.029 0.000 2.269 401 D HA -0.089 4.968 4.640 0.695 0.000 0.208 401 D C 0.939 177.325 176.300 0.144 0.000 0.963 401 D CA 0.429 54.437 54.000 0.012 0.000 0.864 401 D CB 0.013 40.780 40.800 -0.056 0.000 0.936 401 D HN 0.095 nan 8.370 nan 0.000 0.505 402 W N 1.848 123.177 121.300 0.048 0.000 1.585 402 W HA 0.043 5.119 4.660 0.695 0.000 0.446 402 W C 1.543 178.089 176.519 0.045 0.000 2.043 402 W CA -0.804 56.573 57.345 0.054 0.000 2.247 402 W CB -1.238 28.259 29.460 0.062 0.000 1.713 402 W HN -0.110 nan 8.180 nan 0.000 0.846 439 D N 4.296 124.732 120.400 0.061 0.000 2.412 439 D HA 0.064 5.121 4.640 0.695 0.000 0.257 439 D C -1.097 175.267 176.300 0.107 0.000 1.217 439 D CA -1.357 52.704 54.000 0.102 0.000 0.897 439 D CB 1.176 42.052 40.800 0.126 0.000 1.132 439 D HN 0.255 nan 8.370 nan 0.000 0.493 440 P HA -0.029 nan 4.420 nan 0.000 0.237 440 P C 0.087 177.495 177.300 0.180 0.000 1.178 440 P CA 0.427 63.598 63.100 0.118 0.000 0.766 440 P CB 0.227 31.987 31.700 0.101 0.000 0.876 441 L N -0.693 120.686 121.223 0.261 0.000 3.255 441 L HA 0.348 5.104 4.340 0.695 0.000 0.293 441 L C 1.921 178.959 176.870 0.279 0.000 1.302 441 L CA -0.028 55.066 54.840 0.423 0.000 0.977 441 L CB 0.119 42.582 42.059 0.674 0.000 1.390 441 L HN -0.262 nan 8.230 nan 0.000 0.588 442 K N 0.737 121.204 120.400 0.113 0.000 2.209 442 K HA -0.132 4.605 4.320 0.695 0.000 0.204 442 K C 1.649 178.202 176.600 -0.079 0.000 1.048 442 K CA 1.057 57.368 56.287 0.039 0.000 0.940 442 K CB 0.309 32.816 32.500 0.013 0.000 0.729 442 K HN 0.241 nan 8.250 nan 0.000 0.451 443 K N 0.132 120.398 120.400 -0.223 0.000 2.097 443 K HA -0.122 4.615 4.320 0.695 0.000 0.206 443 K C 0.492 176.812 176.600 -0.466 0.000 1.049 443 K CA 1.160 57.194 56.287 -0.422 0.000 0.933 443 K CB -0.235 31.834 32.500 -0.719 0.000 0.717 443 K HN 0.193 nan 8.250 nan 0.000 0.442 444 Y N 0.837 121.039 120.300 -0.164 0.000 2.335 444 Y HA 0.155 5.122 4.550 0.694 0.000 0.323 444 Y C 0.926 176.428 175.900 -0.663 0.000 1.224 444 Y CA -0.860 57.009 58.100 -0.386 0.000 1.241 444 Y CB 0.960 39.172 38.460 -0.413 0.000 1.235 444 Y HN -0.112 nan 8.280 nan 0.000 0.492 445 T N 0.180 114.395 114.554 -0.565 0.000 2.824 445 T HA 0.809 5.576 4.350 0.695 0.000 0.282 445 T C -1.132 173.217 174.700 -0.585 0.000 0.993 445 T CA -0.696 61.095 62.100 -0.514 0.000 0.967 445 T CB 0.400 69.151 68.868 -0.195 0.000 0.960 445 T HN 0.407 nan 8.240 nan 0.000 0.441 446 F N -0.100 119.932 119.950 0.137 0.000 2.662 446 F HA 0.543 5.487 4.527 0.695 0.000 0.312 446 F C -0.477 175.429 175.800 0.175 0.000 1.113 446 F CA -2.034 56.052 58.000 0.143 0.000 0.951 446 F CB 0.920 40.035 39.000 0.191 0.000 1.344 446 F HN 0.631 nan 8.300 nan 0.000 0.462 447 W N 3.975 125.386 121.300 0.186 0.000 2.692 447 W HA 0.154 5.231 4.660 0.694 0.000 0.339 447 W C -0.344 176.308 176.519 0.222 0.000 1.415 447 W CA 0.050 57.487 57.345 0.154 0.000 1.389 447 W CB 0.095 29.609 29.460 0.089 0.000 1.492 447 W HN 0.486 nan 8.180 nan 0.000 0.545 448 E N 4.084 124.592 120.200 0.514 0.000 2.316 448 E HA 0.178 4.945 4.350 0.695 0.000 0.275 448 E C -0.630 176.257 176.600 0.478 0.000 1.029 448 E CA -0.222 56.441 56.400 0.438 0.000 0.871 448 E CB 1.825 31.725 29.700 0.332 0.000 1.022 448 E HN 0.134 nan 8.360 nan 0.000 0.418 449 V N 4.395 124.513 119.914 0.340 0.000 2.443 449 V HA 0.192 4.729 4.120 0.695 0.000 0.293 449 V C 0.048 176.263 176.094 0.201 0.000 1.021 449 V CA -0.941 61.501 62.300 0.236 0.000 0.848 449 V CB 1.776 33.654 31.823 0.090 0.000 0.998 449 V HN 0.501 nan 8.190 nan 0.000 0.424 450 N N 4.616 123.424 118.700 0.180 0.000 2.425 450 N HA 0.448 5.604 4.740 0.695 0.000 0.268 450 N C 0.011 175.569 175.510 0.080 0.000 0.991 450 N CA -0.315 52.818 53.050 0.138 0.000 0.931 450 N CB 1.804 40.350 38.487 0.099 0.000 1.130 450 N HN 0.658 nan 8.380 nan 0.000 0.493 451 L N 3.361 124.611 121.223 0.044 0.000 2.808 451 L HA 0.202 4.959 4.340 0.695 0.000 0.246 451 L C 1.656 178.549 176.870 0.037 0.000 1.153 451 L CA -0.033 54.840 54.840 0.056 0.000 0.956 451 L CB 0.278 42.365 42.059 0.048 0.000 1.270 451 L HN 0.373 nan 8.230 nan 0.000 0.528 452 K N 0.828 121.209 120.400 -0.030 0.000 2.218 452 K HA -0.205 4.532 4.320 0.695 0.000 0.205 452 K C 1.146 177.747 176.600 0.002 0.000 1.046 452 K CA 1.415 57.649 56.287 -0.088 0.000 0.933 452 K CB 0.060 32.534 32.500 -0.044 0.000 0.728 452 K HN 0.198 nan 8.250 nan 0.000 0.454 453 E N -0.354 119.887 120.200 0.068 0.000 2.501 453 E HA 0.048 4.815 4.350 0.695 0.000 0.201 453 E C 0.574 177.274 176.600 0.166 0.000 1.016 453 E CA 0.017 56.483 56.400 0.111 0.000 0.920 453 E CB 0.625 30.376 29.700 0.084 0.000 1.023 453 E HN 0.011 nan 8.360 nan 0.000 0.474 454 K N -0.240 120.285 120.400 0.209 0.000 2.353 454 K HA 0.154 4.891 4.320 0.695 0.000 0.195 454 K C -0.243 176.522 176.600 0.274 0.000 1.031 454 K CA -0.036 56.381 56.287 0.217 0.000 1.079 454 K CB 0.308 32.894 32.500 0.143 0.000 0.857 454 K HN 0.026 nan 8.250 nan 0.000 0.535 455 F N 1.428 121.392 119.950 0.023 0.000 2.471 455 F HA 0.129 5.073 4.527 0.695 0.000 0.353 455 F C 0.997 176.971 175.800 0.289 0.000 1.113 455 F CA -0.272 57.774 58.000 0.077 0.000 1.262 455 F CB 0.821 39.763 39.000 -0.098 0.000 1.146 455 F HN -0.268 nan 8.300 nan 0.000 0.578 456 S N 1.379 117.308 115.700 0.382 0.000 2.548 456 S HA 0.675 5.562 4.470 0.695 0.000 0.276 456 S C 0.202 174.820 174.600 0.030 0.000 1.129 456 S CA -0.190 58.189 58.200 0.298 0.000 0.931 456 S CB 1.476 64.855 63.200 0.299 0.000 1.068 456 S HN 0.747 nan 8.310 nan 0.000 0.480 457 A N 2.556 125.281 122.820 -0.158 0.000 2.208 457 A HA 0.222 4.959 4.320 0.695 0.000 0.209 457 A C 0.212 177.731 177.584 -0.109 0.000 1.161 457 A CA 0.381 52.128 52.037 -0.483 0.000 0.782 457 A CB -0.150 18.597 19.000 -0.421 0.000 0.816 457 A HN 0.790 nan 8.150 nan 0.000 0.477 458 D N 1.073 121.509 120.400 0.059 0.000 2.639 458 D HA 0.275 5.332 4.640 0.695 0.000 0.233 458 D C 1.154 177.572 176.300 0.196 0.000 1.161 458 D CA -0.170 53.892 54.000 0.103 0.000 1.003 458 D CB 0.496 41.346 40.800 0.084 0.000 1.034 458 D HN 0.339 nan 8.370 nan 0.000 0.514 459 L N -0.021 121.296 121.223 0.156 0.000 2.129 459 L HA -0.233 4.524 4.340 0.695 0.000 0.212 459 L C 2.117 179.097 176.870 0.182 0.000 1.087 459 L CA 1.005 55.968 54.840 0.205 0.000 0.757 459 L CB -0.379 41.779 42.059 0.165 0.000 0.896 459 L HN 0.167 nan 8.230 nan 0.000 0.434 460 D N 0.312 120.765 120.400 0.089 0.000 2.157 460 D HA -0.228 4.829 4.640 0.695 0.000 0.191 460 D C 2.083 178.350 176.300 -0.055 0.000 1.004 460 D CA 1.403 55.413 54.000 0.017 0.000 0.854 460 D CB 0.002 40.799 40.800 -0.004 0.000 0.936 460 D HN 0.280 nan 8.370 nan 0.000 0.446 461 Q N -0.946 118.766 119.800 -0.146 0.000 2.515 461 Q HA 0.036 4.793 4.340 0.695 0.000 0.212 461 Q C -0.267 175.230 176.000 -0.840 0.000 0.970 461 Q CA 0.361 55.877 55.803 -0.479 0.000 0.941 461 Q CB -0.126 28.226 28.738 -0.643 0.000 0.998 461 Q HN 0.332 nan 8.270 nan 0.000 0.518 462 F N -0.152 119.676 119.950 -0.203 0.000 2.588 462 F HA 0.297 5.240 4.527 0.694 0.000 0.314 462 F C -1.483 174.244 175.800 -0.123 0.000 1.069 462 F CA -2.506 55.335 58.000 -0.265 0.000 0.931 462 F CB 1.428 39.986 39.000 -0.736 0.000 1.260 462 F HN -0.271 nan 8.300 nan 0.000 0.465 463 P HA -0.164 nan 4.420 nan 0.000 0.215 463 P C 1.818 179.190 177.300 0.120 0.000 1.157 463 P CA 1.441 64.588 63.100 0.079 0.000 0.863 463 P CB 0.705 32.435 31.700 0.050 0.000 0.787 464 L N -0.504 120.816 121.223 0.161 0.000 2.141 464 L HA -0.051 4.705 4.340 0.695 0.000 0.209 464 L C 2.520 179.554 176.870 0.274 0.000 1.094 464 L CA 2.008 56.949 54.840 0.168 0.000 0.763 464 L CB -1.229 40.886 42.059 0.094 0.000 0.908 464 L HN 0.032 nan 8.230 nan 0.000 0.437 465 G N -0.434 108.533 108.800 0.279 0.000 2.402 465 G HA2 -0.251 4.126 3.960 0.695 0.000 0.216 465 G HA3 -0.251 4.126 3.960 0.695 0.000 0.216 465 G C 1.638 176.666 174.900 0.213 0.000 1.162 465 G CA 0.409 45.666 45.100 0.260 0.000 0.777 465 G HN 0.308 nan 8.290 nan 0.000 0.539 466 R N 0.442 121.028 120.500 0.144 0.000 2.070 466 R HA -0.008 4.749 4.340 0.695 0.000 0.233 466 R C 2.687 179.042 176.300 0.090 0.000 1.137 466 R CA 1.523 57.671 56.100 0.080 0.000 0.945 466 R CB -0.300 30.026 30.300 0.043 0.000 0.845 466 R HN 0.263 nan 8.270 nan 0.000 0.430 467 K N -0.058 120.432 120.400 0.151 0.000 2.059 467 K HA -0.238 4.499 4.320 0.695 0.000 0.212 467 K C 1.969 178.669 176.600 0.166 0.000 1.050 467 K CA 1.917 58.326 56.287 0.203 0.000 0.927 467 K CB -0.409 32.282 32.500 0.319 0.000 0.714 467 K HN 0.093 nan 8.250 nan 0.000 0.447 468 F N 1.913 121.899 119.950 0.061 0.000 2.069 468 F HA -0.205 4.739 4.527 0.695 0.000 0.298 468 F C 1.870 177.453 175.800 -0.362 0.000 1.113 468 F CA 1.399 59.203 58.000 -0.326 0.000 1.214 468 F CB -0.366 38.535 39.000 -0.166 0.000 0.978 468 F HN -0.088 nan 8.300 nan 0.000 0.474 469 L N -0.451 120.618 121.223 -0.256 0.000 1.989 469 L HA -0.242 4.515 4.340 0.695 0.000 0.211 469 L C 2.494 179.149 176.870 -0.359 0.000 1.071 469 L CA 1.274 55.901 54.840 -0.356 0.000 0.749 469 L CB -1.034 40.950 42.059 -0.125 0.000 0.890 469 L HN 0.284 nan 8.230 nan 0.000 0.431 470 L N -0.265 120.827 121.223 -0.219 0.000 2.043 470 L HA -0.272 4.485 4.340 0.695 0.000 0.212 470 L C 2.620 179.336 176.870 -0.256 0.000 1.075 470 L CA 1.843 56.575 54.840 -0.180 0.000 0.752 470 L CB -0.891 41.114 42.059 -0.089 0.000 0.891 470 L HN 0.346 nan 8.230 nan 0.000 0.432 471 Q N -0.831 118.755 119.800 -0.356 0.000 1.993 471 Q HA -0.181 4.575 4.340 0.695 0.000 0.202 471 Q C 1.899 177.574 176.000 -0.542 0.000 0.984 471 Q CA 1.450 56.983 55.803 -0.450 0.000 0.837 471 Q CB -0.381 27.935 28.738 -0.704 0.000 0.902 471 Q HN 0.452 nan 8.270 nan 0.000 0.423 472 L N 0.633 121.381 121.223 -0.791 0.000 2.650 472 L HA 0.009 4.766 4.340 0.695 0.000 0.235 472 L C 1.505 178.095 176.870 -0.467 0.000 1.149 472 L CA 1.407 55.823 54.840 -0.707 0.000 0.887 472 L CB -1.386 40.019 42.059 -1.090 0.000 1.021 472 L HN 0.532 nan 8.230 nan 0.000 0.441 473 G N 1.010 109.587 108.800 -0.372 0.000 4.011 473 G HA2 -0.396 3.981 3.960 0.695 0.000 0.348 473 G HA3 -0.396 3.981 3.960 0.695 0.000 0.348 473 G C 0.590 175.351 174.900 -0.232 0.000 1.310 473 G CA 0.956 45.908 45.100 -0.248 0.000 1.056 473 G HN 0.448 nan 8.290 nan 0.000 0.728 474 L N 0.000 121.100 121.223 -0.205 0.000 2.949 474 L HA 0.000 4.757 4.340 0.695 0.000 0.249 474 L CA 0.000 54.748 54.840 -0.154 0.000 0.813 474 L CB 0.000 42.002 42.059 -0.095 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502