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 2bo8_1_J DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.448 174.600 -0.253 0.000 1.055 2 S CA 0.000 58.185 58.200 -0.026 0.000 1.107 2 S CB 0.000 63.252 63.200 0.086 0.000 0.593 3 L N 2.221 123.385 121.223 -0.098 0.000 2.295 3 L HA 0.844 5.184 4.340 -0.000 0.000 0.285 3 L C -1.187 175.594 176.870 -0.148 0.000 1.035 3 L CA -0.236 54.535 54.840 -0.116 0.000 0.806 3 L CB 1.287 43.422 42.059 0.127 0.000 1.214 3 L HN 0.514 nan 8.230 nan 0.000 0.426 4 V N 5.796 125.601 119.914 -0.182 0.000 2.448 4 V HA 0.563 4.683 4.120 -0.000 0.000 0.295 4 V C -0.503 175.372 176.094 -0.365 0.000 1.025 4 V CA -0.619 61.519 62.300 -0.270 0.000 0.859 4 V CB 1.900 33.560 31.823 -0.272 0.000 0.988 4 V HN 0.572 nan 8.190 nan 0.000 0.431 5 V N 5.370 124.962 119.914 -0.536 0.000 2.495 5 V HA 0.539 4.659 4.120 -0.000 0.000 0.298 5 V C -0.873 174.953 176.094 -0.445 0.000 1.031 5 V CA -0.516 61.524 62.300 -0.434 0.000 0.871 5 V CB 1.736 33.214 31.823 -0.576 0.000 0.988 5 V HN 0.703 nan 8.190 nan 0.000 0.432 6 F N 6.232 126.217 119.950 0.058 0.000 2.382 6 F HA 0.479 5.006 4.527 -0.000 0.000 0.361 6 F C -2.196 173.737 175.800 0.222 0.000 1.109 6 F CA -2.398 55.675 58.000 0.121 0.000 1.031 6 F CB 1.971 40.992 39.000 0.035 0.000 1.234 6 F HN 0.294 nan 8.300 nan 0.000 0.445 7 P HA 0.229 nan 4.420 nan 0.000 0.287 7 P C -1.075 176.410 177.300 0.308 0.000 1.281 7 P CA -0.206 63.059 63.100 0.275 0.000 0.781 7 P CB 0.731 32.555 31.700 0.208 0.000 0.903 8 F N 1.444 121.459 119.950 0.110 0.000 2.565 8 F HA 0.683 5.210 4.527 -0.000 0.000 0.313 8 F C 0.564 176.381 175.800 0.029 0.000 1.091 8 F CA -1.144 56.897 58.000 0.068 0.000 0.915 8 F CB 1.932 40.965 39.000 0.055 0.000 1.208 8 F HN 0.176 nan 8.300 nan 0.000 0.453 9 K N 0.147 120.569 120.400 0.036 0.000 2.409 9 K HA 0.290 4.610 4.320 -0.000 0.000 0.237 9 K C -0.508 175.999 176.600 -0.155 0.000 1.083 9 K CA -0.181 55.971 56.287 -0.225 0.000 0.914 9 K CB 0.244 32.489 32.500 -0.424 0.000 1.300 9 K HN 0.747 nan 8.250 nan 0.000 0.454 10 H N 1.190 120.327 119.070 0.112 0.000 2.762 10 H HA 0.408 4.964 4.556 -0.000 0.000 0.310 10 H C -1.165 174.180 175.328 0.028 0.000 1.004 10 H CA -0.420 55.677 56.048 0.082 0.000 1.267 10 H CB 1.597 31.367 29.762 0.013 0.000 1.437 10 H HN 0.289 nan 8.280 nan 0.000 0.498 11 E N 0.646 120.917 120.200 0.117 0.000 2.416 11 E HA 0.274 4.624 4.350 -0.000 0.000 0.273 11 E C -0.915 175.603 176.600 -0.135 0.000 0.935 11 E CA -0.859 55.516 56.400 -0.042 0.000 0.784 11 E CB 1.671 31.386 29.700 0.024 0.000 1.301 11 E HN 0.521 nan 8.360 nan 0.000 0.454 12 H N 1.733 120.811 119.070 0.013 0.000 2.975 12 H HA 0.060 4.616 4.556 -0.000 0.000 0.303 12 H C -1.643 173.645 175.328 -0.066 0.000 1.023 12 H CA -1.091 54.945 56.048 -0.019 0.000 1.473 12 H CB 0.531 30.278 29.762 -0.025 0.000 1.498 12 H HN 0.328 nan 8.280 nan 0.000 0.549 13 P HA -0.226 nan 4.420 nan 0.000 0.216 13 P C 0.874 178.132 177.300 -0.069 0.000 1.154 13 P CA 1.390 64.452 63.100 -0.063 0.000 0.865 13 P CB 0.354 32.029 31.700 -0.041 0.000 0.789 14 E N -0.750 119.435 120.200 -0.025 0.000 2.150 14 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 14 E C 1.972 178.543 176.600 -0.049 0.000 0.985 14 E CA 0.783 57.156 56.400 -0.045 0.000 0.814 14 E CB -1.524 28.146 29.700 -0.051 0.000 0.752 14 E HN 0.079 nan 8.360 nan 0.000 0.466 15 V N 0.985 120.878 119.914 -0.036 0.000 2.270 15 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 15 V C 2.188 178.213 176.094 -0.115 0.000 1.043 15 V CA 1.670 63.944 62.300 -0.043 0.000 1.014 15 V CB -0.548 31.278 31.823 0.006 0.000 0.645 15 V HN 0.228 nan 8.190 nan 0.000 0.447 16 L N -0.383 120.729 121.223 -0.186 0.000 2.056 16 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 16 L C 2.168 178.795 176.870 -0.405 0.000 1.078 16 L CA 1.762 56.386 54.840 -0.361 0.000 0.749 16 L CB -0.575 41.253 42.059 -0.386 0.000 0.901 16 L HN 0.185 nan 8.230 nan 0.000 0.433 17 L N -0.819 120.248 121.223 -0.260 0.000 2.131 17 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 17 L C 2.691 179.459 176.870 -0.170 0.000 1.092 17 L CA 1.536 56.247 54.840 -0.215 0.000 0.759 17 L CB -0.915 41.060 42.059 -0.139 0.000 0.903 17 L HN 0.549 nan 8.230 nan 0.000 0.435 18 H N 0.675 119.620 119.070 -0.210 0.000 2.293 18 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 18 H C 1.924 177.142 175.328 -0.184 0.000 1.082 18 H CA 1.895 57.846 56.048 -0.162 0.000 1.308 18 H CB 0.240 29.924 29.762 -0.130 0.000 1.375 18 H HN 0.350 nan 8.280 nan 0.000 0.495 19 N N 0.592 119.043 118.700 -0.416 0.000 2.104 19 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 19 N C 2.249 177.443 175.510 -0.527 0.000 1.024 19 N CA 1.195 53.898 53.050 -0.578 0.000 0.853 19 N CB -0.643 37.255 38.487 -0.981 0.000 1.008 19 N HN 0.184 nan 8.380 nan 0.000 0.424 20 V N 1.246 120.790 119.914 -0.616 0.000 2.332 20 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 20 V C 2.517 178.541 176.094 -0.116 0.000 1.055 20 V CA 1.560 63.686 62.300 -0.291 0.000 1.038 20 V CB -0.421 31.240 31.823 -0.270 0.000 0.651 20 V HN 0.205 nan 8.190 nan 0.000 0.450 21 R N -0.398 120.000 120.500 -0.170 0.000 2.091 21 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 21 R C 2.144 178.381 176.300 -0.105 0.000 1.136 21 R CA 1.620 57.648 56.100 -0.120 0.000 0.959 21 R CB -0.612 29.613 30.300 -0.126 0.000 0.856 21 R HN 0.392 nan 8.270 nan 0.000 0.437 22 V N 0.370 120.189 119.914 -0.159 0.000 2.261 22 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 22 V C 2.312 178.417 176.094 0.019 0.000 1.047 22 V CA 2.026 64.261 62.300 -0.107 0.000 1.015 22 V CB -0.852 30.875 31.823 -0.159 0.000 0.642 22 V HN 0.547 nan 8.190 nan 0.000 0.446 23 A N 0.031 122.937 122.820 0.143 0.000 1.883 23 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 23 A C 2.414 180.027 177.584 0.048 0.000 1.186 23 A CA 2.454 54.569 52.037 0.129 0.000 0.624 23 A CB -0.968 18.160 19.000 0.214 0.000 0.822 23 A HN 0.623 nan 8.150 nan 0.000 0.444 24 A N -0.482 122.357 122.820 0.032 0.000 1.972 24 A HA 0.180 4.500 4.320 -0.000 0.000 0.219 24 A C 2.366 179.947 177.584 -0.004 0.000 1.169 24 A CA 1.962 54.001 52.037 0.003 0.000 0.635 24 A CB -0.806 18.193 19.000 -0.001 0.000 0.810 24 A HN 1.137 nan 8.150 nan 0.000 0.446 25 A N -1.697 121.119 122.820 -0.006 0.000 2.119 25 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 25 A C 1.201 178.769 177.584 -0.027 0.000 1.152 25 A CA 0.227 52.250 52.037 -0.023 0.000 0.708 25 A CB -0.542 18.434 19.000 -0.041 0.000 0.805 25 A HN 0.614 nan 8.150 nan 0.000 0.460 26 H N 0.487 119.505 119.070 -0.087 0.000 2.803 26 H HA 0.163 4.719 4.556 -0.000 0.000 0.330 26 H C -1.805 173.456 175.328 -0.111 0.000 1.057 26 H CA -1.621 54.367 56.048 -0.099 0.000 1.458 26 H CB 1.279 30.971 29.762 -0.117 0.000 1.470 26 H HN 0.034 nan 8.280 nan 0.000 0.560 27 P HA -0.090 nan 4.420 nan 0.000 0.221 27 P C 0.819 178.116 177.300 -0.004 0.000 1.145 27 P CA 1.317 64.374 63.100 -0.072 0.000 0.795 27 P CB 0.218 31.843 31.700 -0.125 0.000 0.775 28 R N -1.296 119.321 120.500 0.195 0.000 2.334 28 R HA 0.182 4.522 4.340 -0.000 0.000 0.216 28 R C -0.123 175.964 176.300 -0.354 0.000 0.905 28 R CA -0.044 56.024 56.100 -0.053 0.000 1.064 28 R CB 0.403 30.754 30.300 0.085 0.000 1.046 28 R HN 0.064 nan 8.270 nan 0.000 0.508 29 V N 1.743 121.471 119.914 -0.311 0.000 2.383 29 V HA 0.092 4.212 4.120 -0.000 0.000 0.275 29 V C 0.680 176.463 176.094 -0.518 0.000 1.036 29 V CA -0.381 61.685 62.300 -0.391 0.000 0.889 29 V CB 1.317 33.010 31.823 -0.217 0.000 0.985 29 V HN 0.285 nan 8.190 nan 0.000 0.459 30 H N 2.801 121.605 119.070 -0.442 0.000 2.654 30 H HA 0.377 4.933 4.556 -0.000 0.000 0.264 30 H C 0.495 175.519 175.328 -0.506 0.000 0.954 30 H CA 0.222 55.898 56.048 -0.620 0.000 1.199 30 H CB 1.208 30.175 29.762 -1.325 0.000 1.446 30 H HN 0.694 nan 8.280 nan 0.000 0.516 31 E N 0.579 120.578 120.200 -0.335 0.000 2.354 31 E HA 0.349 4.699 4.350 -0.000 0.000 0.283 31 E C -1.657 174.920 176.600 -0.038 0.000 0.938 31 E CA -0.397 55.967 56.400 -0.060 0.000 0.777 31 E CB 2.535 32.355 29.700 0.200 0.000 1.222 31 E HN -0.174 nan 8.360 nan 0.000 0.423 32 V N 4.159 124.088 119.914 0.025 0.000 2.459 32 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 32 V C -0.607 175.516 176.094 0.049 0.000 1.029 32 V CA -0.773 61.548 62.300 0.035 0.000 0.874 32 V CB 1.418 33.291 31.823 0.083 0.000 0.985 32 V HN 0.557 nan 8.190 nan 0.000 0.438 33 L N 5.547 126.785 121.223 0.024 0.000 2.356 33 L HA 0.682 5.022 4.340 -0.000 0.000 0.277 33 L C -0.638 176.278 176.870 0.077 0.000 0.996 33 L CA 0.145 54.977 54.840 -0.013 0.000 0.822 33 L CB 1.461 43.453 42.059 -0.112 0.000 1.256 33 L HN 0.754 nan 8.230 nan 0.000 0.413 34 C N 6.017 125.383 119.300 0.111 0.000 2.281 34 C HA 0.573 5.033 4.460 -0.000 0.000 0.325 34 C C -0.021 175.124 174.990 0.259 0.000 1.282 34 C CA -0.977 58.206 59.018 0.276 0.000 1.640 34 C CB 0.228 28.122 27.740 0.258 0.000 2.288 34 C HN 0.501 nan 8.230 nan 0.000 0.507 35 I N 3.787 124.486 120.570 0.215 0.000 2.307 35 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 35 I C 0.876 176.774 176.117 -0.366 0.000 1.021 35 I CA 0.568 61.877 61.300 0.014 0.000 1.224 35 I CB 0.666 38.694 38.000 0.047 0.000 1.376 35 I HN 0.868 nan 8.210 nan 0.000 0.470 36 G N 4.425 112.915 108.800 -0.517 0.000 2.412 36 G HA2 0.223 4.183 3.960 -0.000 0.000 0.318 36 G HA3 0.223 4.183 3.960 -0.000 0.000 0.318 36 G C 0.102 174.766 174.900 -0.393 0.000 1.146 36 G CA -0.277 44.201 45.100 -1.036 0.000 0.882 36 G HN 0.622 nan 8.290 nan 0.000 0.501 37 Y N 0.630 120.638 120.300 -0.485 0.000 2.206 37 Y HA 0.126 4.676 4.550 -0.000 0.000 0.292 37 Y C 1.214 176.995 175.900 -0.197 0.000 1.123 37 Y CA 1.676 59.602 58.100 -0.291 0.000 1.142 37 Y CB 0.367 38.639 38.460 -0.313 0.000 1.006 37 Y HN 0.632 nan 8.280 nan 0.000 0.518 38 E N -0.347 119.809 120.200 -0.074 0.000 2.449 38 E HA 0.250 4.600 4.350 -0.000 0.000 0.278 38 E C -1.082 175.464 176.600 -0.091 0.000 0.992 38 E CA -1.119 55.200 56.400 -0.134 0.000 0.807 38 E CB 1.044 30.733 29.700 -0.019 0.000 1.350 38 E HN 0.064 nan 8.360 nan 0.000 0.462 39 R N 1.632 121.985 120.500 -0.244 0.000 3.247 39 R HA 0.057 4.397 4.340 -0.000 0.000 0.212 39 R C -0.532 175.766 176.300 -0.003 0.000 1.604 39 R CA 0.179 56.076 56.100 -0.338 0.000 1.279 39 R CB -0.486 29.565 30.300 -0.415 0.000 1.277 39 R HN 0.422 nan 8.270 nan 0.000 0.669 40 D N -0.298 120.213 120.400 0.185 0.000 2.560 40 D HA 0.010 4.650 4.640 -0.000 0.000 0.277 40 D C 0.787 177.215 176.300 0.213 0.000 1.194 40 D CA -0.430 53.695 54.000 0.208 0.000 1.092 40 D CB 0.352 41.325 40.800 0.287 0.000 1.169 40 D HN -0.002 nan 8.370 nan 0.000 0.607 41 Q N -0.336 119.562 119.800 0.164 0.000 1.998 41 Q HA -0.161 4.179 4.340 -0.000 0.000 0.209 41 Q C 2.193 178.266 176.000 0.123 0.000 1.002 41 Q CA 2.611 58.486 55.803 0.120 0.000 0.858 41 Q CB -1.474 27.314 28.738 0.083 0.000 0.932 41 Q HN 0.700 nan 8.270 nan 0.000 0.416 42 T N 1.016 115.650 114.554 0.133 0.000 2.597 42 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 42 T C 1.722 176.431 174.700 0.014 0.000 1.053 42 T CA 1.843 63.959 62.100 0.027 0.000 1.165 42 T CB -0.914 67.963 68.868 0.015 0.000 0.863 42 T HN 0.302 nan 8.240 nan 0.000 0.427 43 Y N 1.765 122.160 120.300 0.159 0.000 2.102 43 Y HA -0.260 4.290 4.550 -0.000 0.000 0.280 43 Y C 2.627 178.574 175.900 0.078 0.000 1.178 43 Y CA 2.095 60.326 58.100 0.217 0.000 1.146 43 Y CB -0.372 38.260 38.460 0.288 0.000 0.968 43 Y HN 0.216 nan 8.280 nan 0.000 0.504 44 E N -0.412 119.963 120.200 0.291 0.000 2.077 44 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 44 E C 2.300 178.934 176.600 0.057 0.000 0.989 44 E CA 1.283 57.794 56.400 0.185 0.000 0.800 44 E CB -0.477 29.310 29.700 0.145 0.000 0.746 44 E HN 0.529 nan 8.360 nan 0.000 0.452 45 A N 0.048 122.877 122.820 0.015 0.000 1.851 45 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 45 A C 2.458 179.990 177.584 -0.087 0.000 1.195 45 A CA 1.933 53.947 52.037 -0.038 0.000 0.622 45 A CB -1.022 17.945 19.000 -0.055 0.000 0.831 45 A HN 0.183 nan 8.150 nan 0.000 0.444 46 V N -0.020 119.796 119.914 -0.164 0.000 2.332 46 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 46 V C 2.518 178.517 176.094 -0.159 0.000 1.055 46 V CA 2.450 64.623 62.300 -0.213 0.000 1.038 46 V CB -0.873 30.740 31.823 -0.350 0.000 0.651 46 V HN 0.750 nan 8.190 nan 0.000 0.450 47 E N -0.113 119.997 120.200 -0.150 0.000 2.077 47 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 47 E C 2.501 179.081 176.600 -0.034 0.000 0.989 47 E CA 1.201 57.548 56.400 -0.088 0.000 0.800 47 E CB -0.052 29.636 29.700 -0.021 0.000 0.746 47 E HN 0.460 nan 8.360 nan 0.000 0.452 48 R N -0.407 120.081 120.500 -0.021 0.000 2.081 48 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 48 R C 2.270 178.557 176.300 -0.023 0.000 1.131 48 R CA 1.224 57.318 56.100 -0.010 0.000 0.960 48 R CB -0.174 30.125 30.300 -0.003 0.000 0.856 48 R HN 0.157 nan 8.270 nan 0.000 0.436 49 A N 0.571 123.365 122.820 -0.043 0.000 1.929 49 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 49 A C 2.270 179.829 177.584 -0.042 0.000 1.176 49 A CA 1.310 53.319 52.037 -0.046 0.000 0.628 49 A CB -0.518 18.443 19.000 -0.066 0.000 0.816 49 A HN 0.423 nan 8.150 nan 0.000 0.444 50 A N 0.768 123.558 122.820 -0.050 0.000 1.884 50 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 50 A C 0.271 177.846 177.584 -0.015 0.000 1.197 50 A CA 2.159 54.173 52.037 -0.039 0.000 0.637 50 A CB -1.863 17.110 19.000 -0.044 0.000 0.827 50 A HN 0.450 nan 8.150 nan 0.000 0.450 51 P HA -0.177 nan 4.420 nan 0.000 0.216 51 P C 1.556 178.859 177.300 0.004 0.000 1.150 51 P CA 1.413 64.517 63.100 0.006 0.000 0.837 51 P CB -0.049 31.656 31.700 0.009 0.000 0.786 52 E N 0.115 120.313 120.200 -0.003 0.000 2.023 52 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 52 E C 2.026 178.623 176.600 -0.006 0.000 1.003 52 E CA 1.341 57.738 56.400 -0.005 0.000 0.809 52 E CB -0.882 28.812 29.700 -0.010 0.000 0.755 52 E HN 0.164 nan 8.360 nan 0.000 0.449 53 I N 1.311 121.873 120.570 -0.014 0.000 2.151 53 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 53 I C 2.539 178.653 176.117 -0.004 0.000 1.080 53 I CA 1.721 63.011 61.300 -0.016 0.000 1.339 53 I CB -0.416 37.566 38.000 -0.030 0.000 1.039 53 I HN 0.103 nan 8.210 nan 0.000 0.409 54 S N 0.519 116.222 115.700 0.005 0.000 2.399 54 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 54 S C 2.031 176.644 174.600 0.021 0.000 1.022 54 S CA 1.002 59.213 58.200 0.019 0.000 0.983 54 S CB -0.528 62.691 63.200 0.032 0.000 0.803 54 S HN 0.428 nan 8.310 nan 0.000 0.480 55 R N 1.544 122.054 120.500 0.016 0.000 2.075 55 R HA 0.058 4.398 4.340 -0.000 0.000 0.232 55 R C 2.459 178.766 176.300 0.012 0.000 1.126 55 R CA 1.147 57.257 56.100 0.017 0.000 0.963 55 R CB -0.619 29.689 30.300 0.014 0.000 0.858 55 R HN 0.483 nan 8.270 nan 0.000 0.435 56 A N -0.000 122.823 122.820 0.005 0.000 1.969 56 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 56 A C 1.980 179.565 177.584 0.001 0.000 1.169 56 A CA 1.989 54.026 52.037 0.001 0.000 0.635 56 A CB -0.432 18.564 19.000 -0.005 0.000 0.810 56 A HN 0.597 nan 8.150 nan 0.000 0.445 57 T N -5.799 108.757 114.554 0.003 0.000 3.001 57 T HA 0.419 4.769 4.350 -0.000 0.000 0.251 57 T C 1.434 176.142 174.700 0.013 0.000 1.040 57 T CA 1.078 63.179 62.100 0.002 0.000 0.985 57 T CB 0.278 69.144 68.868 -0.003 0.000 1.011 57 T HN 1.655 nan 8.240 nan 0.000 0.509 58 G N 1.963 110.777 108.800 0.023 0.000 2.168 58 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.263 58 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.263 58 G C 0.248 175.179 174.900 0.052 0.000 0.977 58 G CA 0.641 45.763 45.100 0.038 0.000 0.659 58 G HN 1.361 nan 8.290 nan 0.000 0.533 59 T N -0.879 113.699 114.554 0.040 0.000 2.809 59 T HA 0.681 5.031 4.350 -0.000 0.000 0.284 59 T C -2.508 172.225 174.700 0.055 0.000 0.992 59 T CA -1.794 60.335 62.100 0.048 0.000 0.957 59 T CB 3.332 72.206 68.868 0.010 0.000 0.942 59 T HN 0.099 nan 8.240 nan 0.000 0.439 60 P HA 0.228 nan 4.420 nan 0.000 0.264 60 P C -0.710 176.640 177.300 0.083 0.000 1.193 60 P CA -0.272 62.888 63.100 0.100 0.000 0.763 60 P CB 0.720 32.516 31.700 0.159 0.000 0.810 61 V N 3.582 123.530 119.914 0.057 0.000 2.487 61 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 61 V C 0.335 176.443 176.094 0.023 0.000 1.028 61 V CA -0.263 62.059 62.300 0.036 0.000 0.860 61 V CB 1.701 33.529 31.823 0.009 0.000 0.991 61 V HN 0.766 nan 8.190 nan 0.000 0.427 62 S N 3.584 119.289 115.700 0.008 0.000 2.595 62 S HA 0.900 5.370 4.470 -0.000 0.000 0.281 62 S C -0.951 173.613 174.600 -0.062 0.000 1.117 62 S CA -0.845 57.341 58.200 -0.024 0.000 0.873 62 S CB 2.093 65.283 63.200 -0.015 0.000 1.108 62 S HN 0.456 nan 8.310 nan 0.000 0.477 63 V N 0.982 120.841 119.914 -0.091 0.000 2.715 63 V HA 0.757 4.877 4.120 -0.000 0.000 0.310 63 V C -0.235 175.835 176.094 -0.040 0.000 1.054 63 V CA -0.865 61.353 62.300 -0.137 0.000 0.928 63 V CB 1.356 32.910 31.823 -0.450 0.000 1.007 63 V HN 0.989 nan 8.190 nan 0.000 0.437 64 R N 2.489 123.023 120.500 0.056 0.000 2.668 64 R HA 0.559 4.899 4.340 -0.000 0.000 0.272 64 R C -1.748 174.704 176.300 0.253 0.000 1.019 64 R CA -1.008 55.195 56.100 0.172 0.000 0.894 64 R CB 1.613 31.933 30.300 0.033 0.000 1.228 64 R HN 0.386 nan 8.270 nan 0.000 0.460 65 L N 3.048 124.405 121.223 0.224 0.000 2.456 65 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 65 L C 0.863 177.728 176.870 -0.010 0.000 1.189 65 L CA 0.299 55.163 54.840 0.039 0.000 0.846 65 L CB 0.247 42.259 42.059 -0.078 0.000 1.111 65 L HN 0.675 nan 8.230 nan 0.000 0.475 66 Q N 1.685 121.447 119.800 -0.064 0.000 2.395 66 Q HA 0.145 4.485 4.340 -0.000 0.000 0.271 66 Q C -0.673 175.300 176.000 -0.045 0.000 1.026 66 Q CA -0.100 55.676 55.803 -0.044 0.000 0.900 66 Q CB 0.682 29.382 28.738 -0.064 0.000 1.266 66 Q HN 0.519 nan 8.270 nan 0.000 0.430 67 E N 0.947 121.148 120.200 0.002 0.000 2.283 67 E HA 0.238 4.588 4.350 -0.000 0.000 0.267 67 E C -0.805 175.794 176.600 -0.002 0.000 1.045 67 E CA -0.910 55.494 56.400 0.006 0.000 0.884 67 E CB 1.076 30.806 29.700 0.050 0.000 1.106 67 E HN 0.469 nan 8.360 nan 0.000 0.408 68 R N 2.669 123.162 120.500 -0.012 0.000 2.248 68 R HA 0.140 4.480 4.340 -0.000 0.000 0.337 68 R C -0.244 176.063 176.300 0.011 0.000 1.106 68 R CA 0.287 56.378 56.100 -0.015 0.000 0.959 68 R CB -0.173 30.109 30.300 -0.030 0.000 1.075 68 R HN 0.611 nan 8.270 nan 0.000 0.480 69 L N 2.586 123.824 121.223 0.024 0.000 2.609 69 L HA 0.426 4.766 4.340 -0.000 0.000 0.230 69 L C 1.267 178.143 176.870 0.010 0.000 1.064 69 L CA 0.077 54.940 54.840 0.038 0.000 0.873 69 L CB 0.372 42.488 42.059 0.094 0.000 1.139 69 L HN 0.721 nan 8.230 nan 0.000 0.490 70 G N -0.212 108.589 108.800 0.002 0.000 2.568 70 G HA2 0.376 4.336 3.960 -0.000 0.000 0.293 70 G HA3 0.376 4.336 3.960 -0.000 0.000 0.293 70 G C 0.565 175.456 174.900 -0.015 0.000 1.347 70 G CA 0.586 45.679 45.100 -0.012 0.000 1.039 70 G HN 0.097 nan 8.290 nan 0.000 0.523 71 T N -2.469 112.074 114.554 -0.018 0.000 3.058 71 T HA 0.376 4.726 4.350 -0.000 0.000 0.278 71 T C 0.562 175.254 174.700 -0.014 0.000 0.974 71 T CA -0.226 61.864 62.100 -0.016 0.000 0.893 71 T CB 0.046 68.905 68.868 -0.015 0.000 1.138 71 T HN 0.121 nan 8.240 nan 0.000 0.529 72 L N 1.283 122.496 121.223 -0.017 0.000 2.970 72 L HA 0.561 4.901 4.340 -0.000 0.000 0.214 72 L C 0.944 177.806 176.870 -0.014 0.000 1.317 72 L CA -1.318 53.515 54.840 -0.012 0.000 1.187 72 L CB -0.017 42.035 42.059 -0.012 0.000 2.155 72 L HN 0.190 nan 8.230 nan 0.000 0.554 73 R N 2.101 122.594 120.500 -0.011 0.000 2.538 73 R HA 0.053 4.393 4.340 -0.000 0.000 0.282 73 R C -2.197 174.084 176.300 -0.032 0.000 1.009 73 R CA -1.042 55.050 56.100 -0.015 0.000 1.063 73 R CB 0.154 30.445 30.300 -0.015 0.000 0.945 73 R HN 0.241 nan 8.270 nan 0.000 0.414 74 P HA 0.103 nan 4.420 nan 0.000 0.273 74 P C -0.646 176.668 177.300 0.022 0.000 1.319 74 P CA 0.112 63.207 63.100 -0.009 0.000 0.885 74 P CB 1.213 32.905 31.700 -0.014 0.000 1.015 75 G N 2.925 111.675 108.800 -0.085 0.000 3.291 75 G HA2 0.166 4.126 3.960 -0.000 0.000 0.173 75 G HA3 0.166 4.126 3.960 -0.000 0.000 0.173 75 G C 0.676 175.429 174.900 -0.245 0.000 1.099 75 G CA -0.337 44.627 45.100 -0.227 0.000 0.794 75 G HN 0.251 nan 8.290 nan 0.000 0.651 76 K N -0.186 119.946 120.400 -0.447 0.000 2.147 76 K HA -0.045 4.274 4.320 -0.000 0.000 0.205 76 K C 2.342 178.839 176.600 -0.172 0.000 1.049 76 K CA 1.596 57.695 56.287 -0.314 0.000 0.936 76 K CB -0.725 31.546 32.500 -0.381 0.000 0.722 76 K HN 0.397 nan 8.250 nan 0.000 0.446 77 G N 1.357 110.052 108.800 -0.174 0.000 2.459 77 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 77 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 77 G C 1.044 175.920 174.900 -0.041 0.000 1.183 77 G CA 1.186 46.211 45.100 -0.124 0.000 0.776 77 G HN 0.312 nan 8.290 nan 0.000 0.552 78 D N 0.587 120.965 120.400 -0.037 0.000 2.116 78 D HA -0.097 4.543 4.640 -0.000 0.000 0.193 78 D C 2.633 178.952 176.300 0.032 0.000 0.998 78 D CA 1.420 55.423 54.000 0.005 0.000 0.836 78 D CB -0.857 39.930 40.800 -0.021 0.000 0.951 78 D HN 0.303 nan 8.370 nan 0.000 0.449 79 G N 0.425 109.228 108.800 0.004 0.000 2.459 79 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 79 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 79 G C 1.662 176.637 174.900 0.124 0.000 1.183 79 G CA 0.937 46.057 45.100 0.034 0.000 0.776 79 G HN 0.229 nan 8.290 nan 0.000 0.552 80 M N 0.198 119.866 119.600 0.114 0.000 2.175 80 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 80 M C 2.369 178.861 176.300 0.319 0.000 1.063 80 M CA 1.218 56.640 55.300 0.203 0.000 1.119 80 M CB -0.404 32.163 32.600 -0.055 0.000 1.377 80 M HN 0.291 nan 8.290 nan 0.000 0.415 81 N N -0.521 118.334 118.700 0.258 0.000 2.188 81 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 81 N C 1.468 177.161 175.510 0.305 0.000 1.018 81 N CA 1.475 54.732 53.050 0.344 0.000 0.858 81 N CB -0.030 38.645 38.487 0.313 0.000 0.989 81 N HN 0.271 nan 8.380 nan 0.000 0.426 82 T N 0.696 115.384 114.554 0.222 0.000 2.720 82 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 82 T C 2.056 176.872 174.700 0.192 0.000 1.037 82 T CA 1.311 63.519 62.100 0.179 0.000 1.144 82 T CB -0.340 68.600 68.868 0.120 0.000 0.864 82 T HN 0.332 nan 8.240 nan 0.000 0.444 83 A N 1.347 124.310 122.820 0.238 0.000 1.877 83 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 83 A C 2.204 179.948 177.584 0.267 0.000 1.186 83 A CA 1.189 53.374 52.037 0.247 0.000 0.620 83 A CB -0.880 18.279 19.000 0.265 0.000 0.822 83 A HN 0.328 nan 8.150 nan 0.000 0.443 84 L N -0.166 121.228 121.223 0.284 0.000 1.997 84 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 84 L C 2.588 179.385 176.870 -0.121 0.000 1.074 84 L CA 2.292 57.238 54.840 0.177 0.000 0.763 84 L CB -1.003 41.187 42.059 0.217 0.000 0.890 84 L HN 0.495 nan 8.230 nan 0.000 0.434 85 R N -1.825 118.462 120.500 -0.354 0.000 2.083 85 R HA -0.260 4.080 4.340 -0.000 0.000 0.237 85 R C 2.444 178.673 176.300 -0.118 0.000 1.137 85 R CA 1.955 57.755 56.100 -0.501 0.000 0.951 85 R CB -0.584 29.579 30.300 -0.228 0.000 0.851 85 R HN 0.373 nan 8.270 nan 0.000 0.434 86 Y N 0.472 120.750 120.300 -0.038 0.000 2.097 86 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 86 Y C 2.014 177.954 175.900 0.068 0.000 1.152 86 Y CA 2.108 60.226 58.100 0.029 0.000 1.136 86 Y CB -0.736 37.770 38.460 0.078 0.000 0.975 86 Y HN 0.139 nan 8.280 nan 0.000 0.498 87 F N 0.466 120.436 119.950 0.032 0.000 2.065 87 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 87 F C 1.910 177.626 175.800 -0.141 0.000 1.112 87 F CA 2.164 60.153 58.000 -0.019 0.000 1.212 87 F CB -0.878 38.151 39.000 0.048 0.000 0.975 87 F HN 0.104 nan 8.300 nan 0.000 0.476 88 L N -0.402 120.652 121.223 -0.281 0.000 2.072 88 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 88 L C 2.220 178.891 176.870 -0.332 0.000 1.079 88 L CA 1.598 56.196 54.840 -0.404 0.000 0.752 88 L CB -0.646 41.266 42.059 -0.245 0.000 0.906 88 L HN 0.126 nan 8.230 nan 0.000 0.436 89 E N -0.468 119.570 120.200 -0.271 0.000 2.447 89 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 89 E C 0.829 177.269 176.600 -0.267 0.000 1.028 89 E CA 0.354 56.625 56.400 -0.215 0.000 0.876 89 E CB 0.396 30.018 29.700 -0.131 0.000 0.885 89 E HN 0.488 nan 8.360 nan 0.000 0.500 90 E N 0.167 120.125 120.200 -0.404 0.000 2.715 90 E HA 0.044 4.394 4.350 -0.000 0.000 0.224 90 E C -0.069 176.198 176.600 -0.555 0.000 0.962 90 E CA 0.056 56.171 56.400 -0.474 0.000 1.145 90 E CB 1.352 30.705 29.700 -0.578 0.000 1.083 90 E HN 0.062 nan 8.360 nan 0.000 0.506 91 T N -2.597 111.621 114.554 -0.559 0.000 2.865 91 T HA 0.326 4.676 4.350 -0.000 0.000 0.294 91 T C 0.127 174.421 174.700 -0.676 0.000 1.119 91 T CA -0.673 61.031 62.100 -0.661 0.000 1.007 91 T CB 2.128 70.651 68.868 -0.576 0.000 1.225 91 T HN -0.210 nan 8.240 nan 0.000 0.515 92 Q N -0.347 118.914 119.800 -0.899 0.000 2.219 92 Q HA 0.367 4.707 4.340 -0.000 0.000 0.209 92 Q C -0.821 174.948 176.000 -0.385 0.000 0.854 92 Q CA -0.429 55.014 55.803 -0.601 0.000 0.960 92 Q CB 0.150 28.560 28.738 -0.546 0.000 1.116 92 Q HN 0.714 nan 8.270 nan 0.000 0.500 93 W N 0.420 121.687 121.300 -0.055 0.000 2.158 93 W HA 0.098 4.758 4.660 -0.000 0.000 0.339 93 W C 1.318 177.922 176.519 0.142 0.000 1.294 93 W CA -0.728 56.696 57.345 0.132 0.000 1.231 93 W CB 0.715 30.386 29.460 0.352 0.000 1.143 93 W HN 0.024 nan 8.180 nan 0.000 0.571 94 E N 1.130 121.614 120.200 0.474 0.000 2.318 94 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 94 E C 0.217 177.066 176.600 0.415 0.000 0.998 94 E CA 0.728 57.325 56.400 0.327 0.000 0.859 94 E CB 0.200 30.037 29.700 0.228 0.000 0.812 94 E HN 0.445 nan 8.360 nan 0.000 0.492 95 R N -0.178 120.597 120.500 0.460 0.000 2.651 95 R HA 0.557 4.897 4.340 -0.000 0.000 0.278 95 R C -0.744 175.516 176.300 -0.068 0.000 1.010 95 R CA -0.513 55.710 56.100 0.205 0.000 0.896 95 R CB 2.475 32.829 30.300 0.090 0.000 1.211 95 R HN -0.060 nan 8.270 nan 0.000 0.456 96 I N 2.128 122.425 120.570 -0.456 0.000 2.465 96 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 96 I C -0.647 175.192 176.117 -0.463 0.000 1.014 96 I CA -0.665 60.217 61.300 -0.697 0.000 1.093 96 I CB 1.255 38.411 38.000 -1.406 0.000 1.267 96 I HN 0.627 nan 8.210 nan 0.000 0.431 97 H N 6.715 125.535 119.070 -0.416 0.000 2.479 97 H HA 0.405 4.961 4.556 -0.000 0.000 0.335 97 H C -1.437 173.522 175.328 -0.616 0.000 1.142 97 H CA -0.274 55.556 56.048 -0.364 0.000 1.234 97 H CB 1.841 31.484 29.762 -0.198 0.000 1.503 97 H HN 0.394 nan 8.280 nan 0.000 0.510 98 F N 1.521 121.264 119.950 -0.345 0.000 2.520 98 F HA 0.316 4.843 4.527 -0.000 0.000 0.322 98 F C -0.813 174.630 175.800 -0.594 0.000 1.103 98 F CA -0.632 57.168 58.000 -0.334 0.000 0.926 98 F CB 1.325 40.250 39.000 -0.126 0.000 1.154 98 F HN 0.394 nan 8.300 nan 0.000 0.453 99 Y N 0.869 121.184 120.300 0.024 0.000 2.457 99 Y HA 0.314 4.864 4.550 -0.000 0.000 0.343 99 Y C -0.377 175.620 175.900 0.162 0.000 0.994 99 Y CA -1.521 56.620 58.100 0.067 0.000 1.031 99 Y CB 1.231 39.590 38.460 -0.168 0.000 1.246 99 Y HN 0.455 nan 8.280 nan 0.000 0.449 100 D N 1.099 121.699 120.400 0.334 0.000 2.449 100 D HA 0.169 4.809 4.640 -0.000 0.000 0.236 100 D C 0.777 177.228 176.300 0.253 0.000 1.149 100 D CA 0.483 54.642 54.000 0.265 0.000 0.878 100 D CB 1.353 42.257 40.800 0.173 0.000 1.198 100 D HN 0.758 nan 8.370 nan 0.000 0.446 101 A N 2.161 125.119 122.820 0.229 0.000 2.072 101 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 101 A C 1.286 178.878 177.584 0.013 0.000 1.156 101 A CA 0.701 52.804 52.037 0.110 0.000 0.701 101 A CB -0.033 19.063 19.000 0.160 0.000 0.816 101 A HN 0.586 nan 8.150 nan 0.000 0.458 102 D N -0.342 120.107 120.400 0.081 0.000 2.328 102 D HA 0.089 4.729 4.640 -0.000 0.000 0.226 102 D C 0.291 176.640 176.300 0.081 0.000 1.066 102 D CA -0.243 53.809 54.000 0.086 0.000 0.861 102 D CB -0.487 40.401 40.800 0.147 0.000 0.912 102 D HN 0.407 nan 8.370 nan 0.000 0.521 103 I N 1.633 122.220 120.570 0.030 0.000 2.556 103 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 103 I C 1.504 177.617 176.117 -0.007 0.000 1.114 103 I CA 0.284 61.595 61.300 0.020 0.000 1.418 103 I CB 1.252 39.210 38.000 -0.070 0.000 1.394 103 I HN -0.015 nan 8.210 nan 0.000 0.552 104 T N -0.860 113.714 114.554 0.035 0.000 3.092 104 T HA 0.082 4.432 4.350 -0.000 0.000 0.258 104 T C 0.744 175.470 174.700 0.043 0.000 1.031 104 T CA 0.171 62.284 62.100 0.021 0.000 0.925 104 T CB -0.023 68.844 68.868 -0.002 0.000 1.036 104 T HN 0.604 nan 8.240 nan 0.000 0.544 105 S N 0.226 115.971 115.700 0.076 0.000 2.741 105 S HA 0.422 4.892 4.470 -0.000 0.000 0.247 105 S C -0.322 174.333 174.600 0.092 0.000 1.050 105 S CA -0.864 57.422 58.200 0.143 0.000 1.025 105 S CB -0.704 62.642 63.200 0.243 0.000 0.897 105 S HN 0.360 nan 8.310 nan 0.000 0.508 106 F N 2.694 122.405 119.950 -0.398 0.000 2.471 106 F HA 0.643 5.170 4.527 -0.000 0.000 0.353 106 F C 0.683 176.152 175.800 -0.551 0.000 1.113 106 F CA 0.338 57.739 58.000 -0.999 0.000 1.262 106 F CB 0.582 39.067 39.000 -0.859 0.000 1.146 106 F HN 0.361 nan 8.300 nan 0.000 0.578 107 G N 4.994 113.031 108.800 -1.272 0.000 2.684 107 G HA2 0.412 4.372 3.960 -0.000 0.000 0.290 107 G HA3 0.412 4.372 3.960 -0.000 0.000 0.290 107 G C -2.721 171.781 174.900 -0.662 0.000 1.425 107 G CA -1.022 43.719 45.100 -0.597 0.000 0.822 107 G HN 0.312 nan 8.290 nan 0.000 0.482 108 P HA -0.056 nan 4.420 nan 0.000 0.216 108 P C 0.983 178.313 177.300 0.050 0.000 1.153 108 P CA 1.342 64.392 63.100 -0.082 0.000 0.848 108 P CB 0.220 31.917 31.700 -0.004 0.000 0.787 109 D N -0.655 119.793 120.400 0.079 0.000 2.034 109 D HA -0.249 4.391 4.640 -0.000 0.000 0.605 109 D C 1.496 177.932 176.300 0.225 0.000 0.732 109 D CA 2.209 56.306 54.000 0.162 0.000 1.697 109 D CB -1.450 39.529 40.800 0.297 0.000 0.219 109 D HN 0.123 nan 8.370 nan 0.000 0.339 110 W N 0.296 121.499 121.300 -0.162 0.000 2.342 110 W HA 0.037 4.697 4.660 -0.000 0.000 0.297 110 W C 2.720 179.342 176.519 0.172 0.000 1.213 110 W CA 0.458 57.783 57.345 -0.034 0.000 1.251 110 W CB -0.939 28.331 29.460 -0.318 0.000 1.136 110 W HN 0.209 nan 8.180 nan 0.000 0.526 111 I N -0.643 120.033 120.570 0.176 0.000 2.193 111 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 111 I C 2.324 178.510 176.117 0.115 0.000 1.084 111 I CA 1.616 62.947 61.300 0.052 0.000 1.365 111 I CB -1.072 36.616 38.000 -0.520 0.000 1.064 111 I HN -0.145 nan 8.210 nan 0.000 0.410 112 T N 1.001 115.647 114.554 0.153 0.000 2.635 112 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 112 T C 1.903 176.720 174.700 0.196 0.000 1.040 112 T CA 1.557 63.798 62.100 0.234 0.000 1.156 112 T CB -0.257 68.764 68.868 0.255 0.000 0.863 112 T HN 0.283 nan 8.240 nan 0.000 0.430 113 K N 0.962 121.486 120.400 0.206 0.000 2.026 113 K HA 0.000 4.320 4.320 -0.000 0.000 0.208 113 K C 2.749 179.449 176.600 0.167 0.000 1.048 113 K CA 1.223 57.614 56.287 0.172 0.000 0.929 113 K CB -0.374 32.224 32.500 0.163 0.000 0.713 113 K HN 0.304 nan 8.250 nan 0.000 0.439 114 A N 1.875 124.846 122.820 0.253 0.000 1.883 114 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 114 A C 1.977 179.639 177.584 0.130 0.000 1.186 114 A CA 1.562 53.699 52.037 0.166 0.000 0.624 114 A CB -0.358 18.826 19.000 0.306 0.000 0.822 114 A HN 0.216 nan 8.150 nan 0.000 0.444 115 E N -0.115 120.200 120.200 0.191 0.000 2.153 115 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 115 E C 1.909 178.581 176.600 0.121 0.000 0.988 115 E CA 1.262 57.752 56.400 0.150 0.000 0.811 115 E CB -0.250 29.549 29.700 0.166 0.000 0.746 115 E HN 0.777 nan 8.360 nan 0.000 0.466 116 E N 0.610 120.877 120.200 0.112 0.000 2.072 116 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 116 E C 2.089 178.731 176.600 0.069 0.000 0.982 116 E CA 0.756 57.211 56.400 0.092 0.000 0.803 116 E CB -0.047 29.699 29.700 0.077 0.000 0.755 116 E HN 0.156 nan 8.360 nan 0.000 0.453 117 A N 1.682 124.496 122.820 -0.010 0.000 1.902 117 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 117 A C 2.409 180.103 177.584 0.184 0.000 1.181 117 A CA 1.668 53.658 52.037 -0.077 0.000 0.623 117 A CB -0.616 18.200 19.000 -0.308 0.000 0.818 117 A HN 0.284 nan 8.150 nan 0.000 0.443 118 A N 0.091 122.992 122.820 0.135 0.000 1.940 118 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 118 A C 1.746 179.417 177.584 0.144 0.000 1.176 118 A CA 1.944 54.069 52.037 0.146 0.000 0.631 118 A CB -0.602 18.450 19.000 0.085 0.000 0.814 118 A HN 0.464 nan 8.150 nan 0.000 0.446 119 D N -1.114 119.370 120.400 0.140 0.000 2.144 119 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 119 D C 1.510 177.884 176.300 0.122 0.000 0.984 119 D CA 0.977 55.048 54.000 0.119 0.000 0.834 119 D CB -0.457 40.414 40.800 0.120 0.000 0.955 119 D HN 0.458 nan 8.370 nan 0.000 0.465 120 F N 0.062 120.007 119.950 -0.007 0.000 2.250 120 F HA -0.044 4.483 4.527 -0.000 0.000 0.301 120 F C 1.858 177.564 175.800 -0.155 0.000 1.077 120 F CA 1.730 59.694 58.000 -0.059 0.000 1.348 120 F CB 0.288 39.273 39.000 -0.025 0.000 1.040 120 F HN 0.141 nan 8.300 nan 0.000 0.509 121 G N -2.609 106.195 108.800 0.007 0.000 2.485 121 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.181 121 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.181 121 G C -0.036 174.804 174.900 -0.100 0.000 0.999 121 G CA -0.326 44.698 45.100 -0.127 0.000 0.721 121 G HN 0.210 nan 8.290 nan 0.000 0.486 122 Y N 0.876 121.229 120.300 0.089 0.000 2.550 122 Y HA 0.376 4.926 4.550 -0.000 0.000 0.343 122 Y C 1.889 177.819 175.900 0.050 0.000 1.245 122 Y CA 1.174 59.321 58.100 0.079 0.000 1.462 122 Y CB 1.075 39.596 38.460 0.102 0.000 1.340 122 Y HN 0.065 nan 8.280 nan 0.000 0.604 123 G N 1.823 110.748 108.800 0.208 0.000 2.492 123 G HA2 0.053 4.013 3.960 -0.000 0.000 0.214 123 G HA3 0.053 4.013 3.960 -0.000 0.000 0.214 123 G C -0.119 174.835 174.900 0.091 0.000 1.147 123 G CA 0.127 45.294 45.100 0.113 0.000 0.809 123 G HN 0.442 nan 8.290 nan 0.000 0.533 124 L N 1.398 122.685 121.223 0.106 0.000 2.436 124 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 124 L C -1.553 175.341 176.870 0.040 0.000 0.974 124 L CA -0.539 54.328 54.840 0.044 0.000 0.826 124 L CB 2.334 44.404 42.059 0.019 0.000 1.291 124 L HN -0.150 nan 8.230 nan 0.000 0.406 125 V N 5.410 125.314 119.914 -0.015 0.000 2.409 125 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 125 V C -0.131 175.889 176.094 -0.123 0.000 1.020 125 V CA -0.680 61.584 62.300 -0.059 0.000 0.848 125 V CB 1.895 33.676 31.823 -0.070 0.000 0.990 125 V HN 0.705 nan 8.190 nan 0.000 0.430 126 R N 3.775 124.201 120.500 -0.123 0.000 2.338 126 R HA 0.504 4.844 4.340 -0.000 0.000 0.317 126 R C -0.618 175.596 176.300 -0.144 0.000 0.968 126 R CA -0.743 55.307 56.100 -0.084 0.000 0.849 126 R CB 1.204 31.488 30.300 -0.027 0.000 1.128 126 R HN 0.710 nan 8.270 nan 0.000 0.448 127 H N 3.407 122.489 119.070 0.019 0.000 2.610 127 H HA 0.095 4.651 4.556 -0.000 0.000 0.336 127 H C -0.430 174.702 175.328 -0.326 0.000 1.087 127 H CA 0.219 56.167 56.048 -0.166 0.000 1.405 127 H CB 0.882 30.577 29.762 -0.110 0.000 1.460 127 H HN 0.574 nan 8.280 nan 0.000 0.538 128 Y N 1.221 121.149 120.300 -0.620 0.000 2.576 128 Y HA 0.621 5.171 4.550 -0.000 0.000 0.346 128 Y C -1.955 173.407 175.900 -0.897 0.000 1.018 128 Y CA -1.775 55.955 58.100 -0.616 0.000 1.050 128 Y CB 0.998 39.378 38.460 -0.134 0.000 1.280 128 Y HN 0.259 nan 8.280 nan 0.000 0.474 129 F N 1.419 121.323 119.950 -0.076 0.000 2.603 129 F HA 0.736 5.263 4.527 -0.000 0.000 0.317 129 F C -2.421 173.390 175.800 0.018 0.000 1.066 129 F CA -2.557 55.295 58.000 -0.246 0.000 0.941 129 F CB 1.823 40.776 39.000 -0.079 0.000 1.291 129 F HN 0.325 nan 8.300 nan 0.000 0.472 130 P HA 0.246 nan 4.420 nan 0.000 0.272 130 P C -0.854 176.632 177.300 0.310 0.000 1.230 130 P CA -0.277 63.010 63.100 0.311 0.000 0.788 130 P CB 0.837 32.656 31.700 0.198 0.000 0.949 131 R N 0.123 120.842 120.500 0.365 0.000 2.725 131 R HA 0.652 4.992 4.340 -0.000 0.000 0.277 131 R C -0.490 176.040 176.300 0.384 0.000 0.987 131 R CA -1.132 55.184 56.100 0.360 0.000 0.901 131 R CB 1.757 32.310 30.300 0.421 0.000 1.207 131 R HN 0.553 nan 8.270 nan 0.000 0.463 132 A N 0.825 123.820 122.820 0.292 0.000 2.425 132 A HA 0.198 4.518 4.320 -0.000 0.000 0.249 132 A C 1.354 179.137 177.584 0.333 0.000 1.084 132 A CA 0.374 52.586 52.037 0.291 0.000 0.781 132 A CB 0.313 19.423 19.000 0.182 0.000 1.019 132 A HN 0.865 nan 8.150 nan 0.000 0.490 133 S N 1.176 117.083 115.700 0.345 0.000 2.420 133 S HA -0.204 4.266 4.470 -0.000 0.000 0.237 133 S C 1.284 176.037 174.600 0.256 0.000 1.023 133 S CA 2.116 60.446 58.200 0.217 0.000 0.991 133 S CB -0.921 62.361 63.200 0.136 0.000 0.792 133 S HN 1.335 nan 8.310 nan 0.000 0.488 134 T N -1.722 112.973 114.554 0.236 0.000 3.163 134 T HA 0.287 4.637 4.350 -0.000 0.000 0.252 134 T C -0.167 174.710 174.700 0.295 0.000 1.056 134 T CA -0.524 61.752 62.100 0.292 0.000 0.947 134 T CB -0.205 68.823 68.868 0.266 0.000 1.016 134 T HN 0.167 nan 8.240 nan 0.000 0.554 135 D N 1.608 122.178 120.400 0.284 0.000 2.329 135 D HA 0.543 5.183 4.640 -0.000 0.000 0.246 135 D C 0.953 177.446 176.300 0.320 0.000 1.111 135 D CA 0.489 54.677 54.000 0.313 0.000 0.941 135 D CB 1.031 42.021 40.800 0.316 0.000 1.169 135 D HN 0.322 nan 8.370 nan 0.000 0.441 136 A N 1.392 124.404 122.820 0.320 0.000 2.925 136 A HA -0.209 4.111 4.320 -0.000 0.000 0.265 136 A C 1.462 179.240 177.584 0.323 0.000 1.419 136 A CA 0.675 52.898 52.037 0.309 0.000 0.807 136 A CB -1.778 17.440 19.000 0.364 0.000 1.043 136 A HN 0.459 nan 8.150 nan 0.000 0.600 137 M N -1.249 118.505 119.600 0.256 0.000 2.394 137 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 137 M C 1.919 178.484 176.300 0.442 0.000 1.073 137 M CA 1.598 57.050 55.300 0.253 0.000 1.111 137 M CB -0.843 31.790 32.600 0.054 0.000 1.401 137 M HN 0.700 nan 8.290 nan 0.000 0.448 138 I N -0.506 120.243 120.570 0.298 0.000 2.439 138 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 138 I C 2.286 178.438 176.117 0.059 0.000 1.139 138 I CA 0.913 62.261 61.300 0.080 0.000 1.438 138 I CB -0.459 37.435 38.000 -0.177 0.000 1.085 138 I HN 0.219 nan 8.210 nan 0.000 0.427 139 T N -0.244 114.338 114.554 0.048 0.000 2.652 139 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 139 T C 1.436 176.080 174.700 -0.092 0.000 1.039 139 T CA 1.891 63.943 62.100 -0.079 0.000 1.153 139 T CB -0.283 68.507 68.868 -0.131 0.000 0.863 139 T HN 0.386 nan 8.240 nan 0.000 0.428 140 W N 0.329 121.639 121.300 0.015 0.000 2.480 140 W HA 0.176 4.836 4.660 -0.000 0.000 0.299 140 W C 2.300 178.838 176.519 0.032 0.000 1.187 140 W CA 0.193 57.515 57.345 -0.038 0.000 1.347 140 W CB -0.084 29.282 29.460 -0.156 0.000 1.121 140 W HN 0.103 nan 8.180 nan 0.000 0.533 141 M N -0.926 118.878 119.600 0.340 0.000 2.514 141 M HA 0.123 4.603 4.480 -0.000 0.000 0.258 141 M C 1.518 178.191 176.300 0.623 0.000 1.119 141 M CA 1.200 56.722 55.300 0.371 0.000 1.111 141 M CB -0.813 31.843 32.600 0.094 0.000 1.390 141 M HN 0.111 nan 8.290 nan 0.000 0.475 142 I N -0.982 119.837 120.570 0.415 0.000 3.136 142 I HA -0.061 4.109 4.170 -0.000 0.000 0.262 142 I C 2.027 178.236 176.117 0.153 0.000 1.132 142 I CA 0.688 62.239 61.300 0.419 0.000 1.450 142 I CB 0.030 38.179 38.000 0.248 0.000 1.315 142 I HN 0.120 nan 8.210 nan 0.000 0.460 143 T N 0.783 115.305 114.554 -0.053 0.000 2.706 143 T HA -0.047 4.303 4.350 -0.000 0.000 0.255 143 T C 1.971 176.406 174.700 -0.442 0.000 1.048 143 T CA 0.999 62.889 62.100 -0.349 0.000 1.153 143 T CB -0.286 68.388 68.868 -0.323 0.000 0.865 143 T HN 0.145 nan 8.240 nan 0.000 0.414 144 R N 0.784 121.152 120.500 -0.219 0.000 2.080 144 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 144 R C 2.798 179.107 176.300 0.016 0.000 1.137 144 R CA 1.711 57.763 56.100 -0.080 0.000 0.943 144 R CB -1.164 29.004 30.300 -0.221 0.000 0.846 144 R HN 0.309 nan 8.270 nan 0.000 0.431 145 T N 0.371 114.961 114.554 0.061 0.000 2.536 145 T HA -0.245 4.105 4.350 -0.000 0.000 0.263 145 T C 1.918 176.467 174.700 -0.250 0.000 1.115 145 T CA 2.017 64.152 62.100 0.058 0.000 1.180 145 T CB -1.007 67.967 68.868 0.176 0.000 0.864 145 T HN 0.609 nan 8.240 nan 0.000 0.419 146 G N 1.218 109.724 108.800 -0.490 0.000 2.703 146 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.222 146 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.222 146 G C 1.316 176.220 174.900 0.007 0.000 1.183 146 G CA 1.440 46.316 45.100 -0.374 0.000 0.775 146 G HN 0.439 nan 8.290 nan 0.000 0.615 147 F N 1.694 121.710 119.950 0.109 0.000 2.216 147 F HA 0.070 4.597 4.527 0.000 0.000 0.300 147 F C 2.994 178.905 175.800 0.184 0.000 1.085 147 F CA 0.374 58.554 58.000 0.301 0.000 1.326 147 F CB -0.911 38.221 39.000 0.220 0.000 1.027 147 F HN 0.301 nan 8.300 nan 0.000 0.497 148 A N -0.416 122.545 122.820 0.235 0.000 1.970 148 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 148 A C 2.239 179.844 177.584 0.036 0.000 1.170 148 A CA 0.840 52.957 52.037 0.133 0.000 0.645 148 A CB -0.855 18.219 19.000 0.124 0.000 0.816 148 A HN 0.353 nan 8.150 nan 0.000 0.447 149 L N -1.026 120.134 121.223 -0.105 0.000 2.313 149 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 149 L C 2.052 178.796 176.870 -0.210 0.000 1.119 149 L CA 0.590 55.306 54.840 -0.207 0.000 0.809 149 L CB -0.118 41.666 42.059 -0.458 0.000 0.933 149 L HN 0.342 nan 8.230 nan 0.000 0.449 150 L N -2.521 118.521 121.223 -0.300 0.000 2.537 150 L HA 0.084 4.424 4.340 -0.000 0.000 0.224 150 L C 0.455 176.796 176.870 -0.881 0.000 1.065 150 L CA 0.023 54.415 54.840 -0.746 0.000 0.860 150 L CB 0.382 41.630 42.059 -1.351 0.000 1.086 150 L HN 0.295 nan 8.230 nan 0.000 0.482 151 W N 0.840 122.218 121.300 0.130 0.000 1.506 151 W HA 0.292 4.952 4.660 -0.000 0.000 0.296 151 W C -1.912 174.667 176.519 0.101 0.000 0.847 151 W CA -1.257 56.162 57.345 0.123 0.000 2.203 151 W CB 0.004 29.530 29.460 0.111 0.000 2.219 151 W HN -0.046 nan 8.180 nan 0.000 0.464 152 P HA -0.215 nan 4.420 nan 0.000 0.217 152 P C 0.910 178.230 177.300 0.033 0.000 1.148 152 P CA 1.761 64.890 63.100 0.047 0.000 0.828 152 P CB 0.186 31.813 31.700 -0.123 0.000 0.783 153 H N -0.597 118.597 119.070 0.206 0.000 2.524 153 H HA 0.153 4.709 4.556 -0.000 0.000 0.280 153 H C 1.100 176.526 175.328 0.163 0.000 1.018 153 H CA 0.618 56.771 56.048 0.174 0.000 1.165 153 H CB 0.000 29.836 29.762 0.122 0.000 1.411 153 H HN 0.267 nan 8.280 nan 0.000 0.569 154 T N -2.507 112.211 114.554 0.272 0.000 2.919 154 T HA 0.197 4.547 4.350 -0.000 0.000 0.282 154 T C 1.072 175.882 174.700 0.183 0.000 1.020 154 T CA -0.761 61.436 62.100 0.161 0.000 0.994 154 T CB 2.402 71.314 68.868 0.073 0.000 1.180 154 T HN -0.114 nan 8.240 nan 0.000 0.566 155 E N -0.396 119.834 120.200 0.049 0.000 2.482 155 E HA 0.200 4.550 4.350 -0.000 0.000 0.196 155 E C 1.771 178.403 176.600 0.053 0.000 1.047 155 E CA 0.370 56.811 56.400 0.068 0.000 0.869 155 E CB -0.799 28.843 29.700 -0.097 0.000 0.836 155 E HN 0.651 nan 8.360 nan 0.000 0.520 156 L N 0.121 121.288 121.223 -0.093 0.000 2.013 156 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 156 L C 2.268 179.085 176.870 -0.088 0.000 1.073 156 L CA 1.792 56.416 54.840 -0.361 0.000 0.753 156 L CB -0.542 41.083 42.059 -0.723 0.000 0.890 156 L HN 0.214 nan 8.230 nan 0.000 0.432 157 S N -2.167 113.610 115.700 0.127 0.000 2.562 157 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 157 S C 1.307 175.900 174.600 -0.012 0.000 0.975 157 S CA -0.126 58.154 58.200 0.132 0.000 0.918 157 S CB -0.533 62.706 63.200 0.066 0.000 0.772 157 S HN 0.473 nan 8.310 nan 0.000 0.531 158 W N 1.093 122.430 121.300 0.062 0.000 3.003 158 W HA 0.471 5.131 4.660 0.000 0.000 0.257 158 W C 0.082 176.659 176.519 0.097 0.000 1.308 158 W CA -1.029 56.380 57.345 0.108 0.000 1.529 158 W CB -0.320 29.233 29.460 0.156 0.000 1.115 158 W HN 0.138 nan 8.180 nan 0.000 0.659 159 I N 2.113 122.770 120.570 0.146 0.000 2.668 159 I HA -0.120 4.050 4.170 -0.000 0.000 0.285 159 I C 1.728 177.844 176.117 -0.000 0.000 1.168 159 I CA 0.414 61.727 61.300 0.021 0.000 1.424 159 I CB 0.742 38.699 38.000 -0.071 0.000 1.377 159 I HN -0.049 nan 8.210 nan 0.000 0.560 160 E N 4.275 124.438 120.200 -0.062 0.000 2.058 160 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 160 E C 0.371 176.913 176.600 -0.098 0.000 0.997 160 E CA 1.543 57.875 56.400 -0.113 0.000 0.801 160 E CB -0.014 29.491 29.700 -0.325 0.000 0.746 160 E HN 0.614 nan 8.360 nan 0.000 0.450 161 Q N -0.154 119.630 119.800 -0.027 0.000 3.122 161 Q HA 0.146 4.486 4.340 -0.000 0.000 0.282 161 Q C -2.049 173.981 176.000 0.050 0.000 0.947 161 Q CA -1.196 54.625 55.803 0.031 0.000 0.812 161 Q CB 1.619 30.457 28.738 0.167 0.000 1.333 161 Q HN 0.029 nan 8.270 nan 0.000 0.430 162 P HA -0.123 nan 4.420 nan 0.000 0.228 162 P C 0.532 177.891 177.300 0.098 0.000 1.151 162 P CA 0.916 64.082 63.100 0.110 0.000 0.770 162 P CB 0.350 32.188 31.700 0.231 0.000 0.786 163 L N -1.495 119.765 121.223 0.063 0.000 2.640 163 L HA 0.283 4.623 4.340 -0.000 0.000 0.230 163 L C 1.360 178.296 176.870 0.109 0.000 1.123 163 L CA -0.389 54.490 54.840 0.066 0.000 0.900 163 L CB -0.501 41.573 42.059 0.024 0.000 1.146 163 L HN -0.096 nan 8.230 nan 0.000 0.484 164 G N -0.002 108.885 108.800 0.145 0.000 2.305 164 G HA2 0.230 4.190 3.960 -0.000 0.000 0.243 164 G HA3 0.230 4.190 3.960 -0.000 0.000 0.243 164 G C 0.966 175.990 174.900 0.205 0.000 1.288 164 G CA 0.172 45.400 45.100 0.214 0.000 0.901 164 G HN 0.304 nan 8.290 nan 0.000 0.516 165 G N 1.202 110.140 108.800 0.229 0.000 2.985 165 G HA2 0.215 4.175 3.960 -0.000 0.000 0.209 165 G HA3 0.215 4.175 3.960 -0.000 0.000 0.209 165 G C 0.310 175.353 174.900 0.239 0.000 1.165 165 G CA -0.081 45.138 45.100 0.198 0.000 0.776 165 G HN 0.539 nan 8.290 nan 0.000 0.541 166 E N 0.301 120.702 120.200 0.335 0.000 2.092 166 E HA 0.580 4.930 4.350 -0.000 0.000 0.271 166 E C -0.514 176.327 176.600 0.401 0.000 0.919 166 E CA -0.449 56.174 56.400 0.372 0.000 0.760 166 E CB 1.627 31.736 29.700 0.682 0.000 1.106 166 E HN 0.247 nan 8.360 nan 0.000 0.408 167 L N 0.291 121.643 121.223 0.215 0.000 2.838 167 L HA 0.619 4.958 4.340 -0.000 0.000 0.266 167 L C -1.558 175.314 176.870 0.003 0.000 1.040 167 L CA -1.039 53.885 54.840 0.141 0.000 0.906 167 L CB 0.905 43.020 42.059 0.094 0.000 1.501 167 L HN 0.434 nan 8.230 nan 0.000 0.407 168 L N 1.346 122.513 121.223 -0.094 0.000 2.381 168 L HA 0.833 5.173 4.340 -0.000 0.000 0.274 168 L C -1.256 175.534 176.870 -0.134 0.000 0.988 168 L CA -0.494 54.198 54.840 -0.246 0.000 0.824 168 L CB 1.774 43.587 42.059 -0.411 0.000 1.263 168 L HN 0.815 nan 8.230 nan 0.000 0.410 169 M N 4.822 124.343 119.600 -0.131 0.000 2.528 169 M HA 0.573 5.053 4.480 -0.000 0.000 0.321 169 M C -0.546 175.738 176.300 -0.027 0.000 1.153 169 M CA -0.780 54.484 55.300 -0.059 0.000 0.951 169 M CB 2.007 34.580 32.600 -0.045 0.000 1.705 169 M HN 0.519 nan 8.290 nan 0.000 0.451 170 R N 0.862 121.390 120.500 0.047 0.000 2.543 170 R HA 0.449 4.789 4.340 -0.000 0.000 0.268 170 R C 0.663 177.082 176.300 0.198 0.000 1.067 170 R CA -0.790 55.382 56.100 0.119 0.000 1.142 170 R CB 1.181 31.541 30.300 0.100 0.000 1.110 170 R HN 0.846 nan 8.270 nan 0.000 0.549 171 R N 0.866 121.532 120.500 0.277 0.000 2.133 171 R HA -0.238 4.102 4.340 -0.000 0.000 0.245 171 R C 1.952 178.350 176.300 0.163 0.000 1.137 171 R CA 2.536 58.805 56.100 0.282 0.000 0.947 171 R CB -0.247 30.109 30.300 0.093 0.000 0.865 171 R HN 0.885 nan 8.270 nan 0.000 0.437 172 E N 0.228 120.486 120.200 0.098 0.000 2.204 172 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 172 E C 1.948 178.590 176.600 0.070 0.000 0.989 172 E CA 1.414 57.852 56.400 0.064 0.000 0.824 172 E CB -0.387 29.336 29.700 0.039 0.000 0.756 172 E HN 0.351 nan 8.360 nan 0.000 0.477 173 V N 2.219 122.178 119.914 0.076 0.000 2.307 173 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 173 V C 2.794 178.926 176.094 0.064 0.000 1.045 173 V CA 1.938 64.269 62.300 0.052 0.000 1.024 173 V CB -0.993 30.850 31.823 0.033 0.000 0.651 173 V HN 0.434 nan 8.190 nan 0.000 0.449 174 A N 0.146 123.037 122.820 0.118 0.000 1.908 174 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 174 A C 2.430 180.127 177.584 0.188 0.000 1.181 174 A CA 2.300 54.435 52.037 0.164 0.000 0.627 174 A CB -0.843 18.369 19.000 0.352 0.000 0.818 174 A HN 0.587 nan 8.150 nan 0.000 0.445 175 A N -0.833 122.084 122.820 0.161 0.000 1.902 175 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 175 A C 2.238 179.908 177.584 0.144 0.000 1.181 175 A CA 2.035 54.160 52.037 0.145 0.000 0.623 175 A CB -0.524 18.523 19.000 0.079 0.000 0.818 175 A HN 0.558 nan 8.150 nan 0.000 0.443 176 M N -0.224 119.436 119.600 0.099 0.000 2.086 176 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 176 M C 2.013 178.365 176.300 0.087 0.000 1.067 176 M CA 1.741 57.085 55.300 0.073 0.000 1.116 176 M CB -0.780 31.847 32.600 0.045 0.000 1.348 176 M HN 0.425 nan 8.290 nan 0.000 0.407 177 L N -0.937 120.345 121.223 0.098 0.000 2.017 177 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 177 L C 2.587 179.566 176.870 0.181 0.000 1.073 177 L CA 1.509 56.421 54.840 0.120 0.000 0.745 177 L CB -1.154 40.930 42.059 0.041 0.000 0.894 177 L HN 0.277 nan 8.230 nan 0.000 0.432 178 Y N 0.930 121.285 120.300 0.091 0.000 2.333 178 Y HA -0.265 4.285 4.550 -0.000 0.000 0.290 178 Y C 2.389 178.338 175.900 0.081 0.000 1.144 178 Y CA 1.596 59.761 58.100 0.108 0.000 1.228 178 Y CB -0.017 38.513 38.460 0.115 0.000 0.985 178 Y HN 0.159 nan 8.280 nan 0.000 0.542 179 E N 0.229 120.450 120.200 0.035 0.000 2.299 179 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 179 E C 0.129 176.696 176.600 -0.054 0.000 0.998 179 E CA 0.334 56.709 56.400 -0.041 0.000 0.851 179 E CB -0.114 29.606 29.700 0.034 0.000 0.795 179 E HN 0.280 nan 8.360 nan 0.000 0.492 180 D N 0.271 120.664 120.400 -0.013 0.000 2.325 180 D HA -0.058 4.582 4.640 -0.000 0.000 0.251 180 D C 0.821 177.109 176.300 -0.020 0.000 1.196 180 D CA 0.045 54.047 54.000 0.003 0.000 0.866 180 D CB 1.101 41.929 40.800 0.047 0.000 1.101 180 D HN 0.200 nan 8.370 nan 0.000 0.476 181 E N 4.009 124.193 120.200 -0.027 0.000 2.204 181 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 181 E C 1.464 178.053 176.600 -0.018 0.000 0.989 181 E CA 1.027 57.404 56.400 -0.037 0.000 0.824 181 E CB 0.111 29.791 29.700 -0.034 0.000 0.756 181 E HN 0.320 nan 8.360 nan 0.000 0.477 182 R N 0.446 120.947 120.500 0.001 0.000 2.091 182 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 182 R C 2.626 178.929 176.300 0.005 0.000 1.136 182 R CA 1.563 57.665 56.100 0.002 0.000 0.959 182 R CB -0.746 29.564 30.300 0.017 0.000 0.856 182 R HN 0.337 nan 8.270 nan 0.000 0.437 183 V N 0.129 120.064 119.914 0.035 0.000 2.407 183 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 183 V C 2.198 178.313 176.094 0.034 0.000 1.041 183 V CA 1.525 63.859 62.300 0.057 0.000 1.040 183 V CB -0.213 31.716 31.823 0.177 0.000 0.671 183 V HN 0.134 nan 8.190 nan 0.000 0.455 184 R N 1.981 122.488 120.500 0.012 0.000 2.096 184 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 184 R C 2.517 178.806 176.300 -0.018 0.000 1.139 184 R CA 2.676 58.763 56.100 -0.022 0.000 0.952 184 R CB -0.779 29.458 30.300 -0.106 0.000 0.854 184 R HN 0.778 nan 8.270 nan 0.000 0.436 185 R N -1.032 119.453 120.500 -0.025 0.000 2.236 185 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 185 R C 0.721 177.004 176.300 -0.029 0.000 1.036 185 R CA 0.480 56.565 56.100 -0.025 0.000 1.001 185 R CB -0.196 30.089 30.300 -0.025 0.000 0.896 185 R HN -0.138 nan 8.270 nan 0.000 0.464 186 R N 2.258 122.735 120.500 -0.037 0.000 4.113 186 R HA 0.031 4.371 4.340 -0.000 0.000 0.179 186 R C 0.438 176.697 176.300 -0.069 0.000 1.781 186 R CA 0.233 56.299 56.100 -0.055 0.000 1.402 186 R CB -0.285 29.969 30.300 -0.078 0.000 1.375 186 R HN 0.485 nan 8.270 nan 0.000 0.786 187 S N -1.169 114.498 115.700 -0.054 0.000 2.603 187 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 187 S C 0.595 175.133 174.600 -0.104 0.000 0.972 187 S CA 0.408 58.571 58.200 -0.062 0.000 0.935 187 S CB -0.321 62.854 63.200 -0.042 0.000 0.769 187 S HN 0.562 nan 8.310 nan 0.000 0.536 188 D N -0.338 119.999 120.400 -0.105 0.000 2.538 188 D HA 0.222 4.862 4.640 -0.000 0.000 0.262 188 D C 0.627 176.830 176.300 -0.162 0.000 1.186 188 D CA -1.096 52.811 54.000 -0.154 0.000 1.090 188 D CB -0.726 40.035 40.800 -0.064 0.000 1.187 188 D HN 0.221 nan 8.370 nan 0.000 0.614 189 W N -0.235 121.033 121.300 -0.052 0.000 2.468 189 W HA 0.158 4.818 4.660 -0.000 0.000 0.262 189 W C 2.273 178.738 176.519 -0.090 0.000 1.241 189 W CA 0.550 57.856 57.345 -0.065 0.000 1.232 189 W CB -0.092 29.334 29.460 -0.056 0.000 1.124 189 W HN 0.564 nan 8.180 nan 0.000 0.597 190 G N 0.383 109.247 108.800 0.107 0.000 2.498 190 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 190 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 190 G C 1.330 176.190 174.900 -0.068 0.000 1.119 190 G CA 0.798 45.906 45.100 0.013 0.000 0.766 190 G HN 0.193 nan 8.290 nan 0.000 0.552 191 I N 2.024 122.514 120.570 -0.132 0.000 2.113 191 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 191 I C 2.106 177.957 176.117 -0.444 0.000 1.064 191 I CA 1.982 63.075 61.300 -0.346 0.000 1.320 191 I CB -0.440 37.315 38.000 -0.410 0.000 1.028 191 I HN 0.255 nan 8.210 nan 0.000 0.406 192 D N -0.925 119.335 120.400 -0.232 0.000 2.178 192 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 192 D C 2.073 178.373 176.300 -0.001 0.000 0.980 192 D CA 1.776 55.708 54.000 -0.113 0.000 0.842 192 D CB -0.316 40.493 40.800 0.014 0.000 0.948 192 D HN 0.362 nan 8.370 nan 0.000 0.472 193 T N 0.871 115.429 114.554 0.007 0.000 2.708 193 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 193 T C 1.863 176.651 174.700 0.148 0.000 1.037 193 T CA 0.490 62.648 62.100 0.095 0.000 1.146 193 T CB -0.139 68.742 68.868 0.023 0.000 0.865 193 T HN 0.080 nan 8.240 nan 0.000 0.435 194 L N 0.048 121.289 121.223 0.031 0.000 2.017 194 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 194 L C 2.494 179.486 176.870 0.203 0.000 1.073 194 L CA 1.925 56.813 54.840 0.081 0.000 0.745 194 L CB -1.219 40.833 42.059 -0.013 0.000 0.894 194 L HN 0.309 nan 8.230 nan 0.000 0.432 195 Y N 0.570 120.905 120.300 0.059 0.000 2.165 195 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 195 Y C 2.879 178.795 175.900 0.026 0.000 1.155 195 Y CA 1.276 59.394 58.100 0.030 0.000 1.164 195 Y CB -1.583 36.870 38.460 -0.011 0.000 0.978 195 Y HN 0.210 nan 8.280 nan 0.000 0.513 196 T N 0.225 114.910 114.554 0.219 0.000 2.777 196 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 196 T C 1.753 176.457 174.700 0.008 0.000 1.040 196 T CA 1.326 63.492 62.100 0.110 0.000 1.141 196 T CB -0.701 68.268 68.868 0.169 0.000 0.868 196 T HN 0.287 nan 8.240 nan 0.000 0.444 197 F N 1.813 121.735 119.950 -0.047 0.000 2.084 197 F HA -0.094 4.433 4.527 0.000 0.000 0.296 197 F C 2.413 178.099 175.800 -0.190 0.000 1.111 197 F CA 1.349 59.227 58.000 -0.203 0.000 1.224 197 F CB -0.442 38.475 39.000 -0.137 0.000 0.991 197 F HN 0.009 nan 8.300 nan 0.000 0.471 198 V N -0.498 119.451 119.914 0.059 0.000 2.719 198 V HA -0.137 3.983 4.120 -0.000 0.000 0.252 198 V C 2.225 178.244 176.094 -0.125 0.000 1.065 198 V CA 2.245 64.522 62.300 -0.037 0.000 1.086 198 V CB -1.245 30.649 31.823 0.118 0.000 0.700 198 V HN 0.602 nan 8.190 nan 0.000 0.467 199 T N -0.986 113.518 114.554 -0.082 0.000 2.720 199 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 199 T C 1.856 176.451 174.700 -0.174 0.000 1.037 199 T CA 2.044 64.088 62.100 -0.094 0.000 1.144 199 T CB -1.033 67.801 68.868 -0.057 0.000 0.864 199 T HN 0.386 nan 8.240 nan 0.000 0.444 200 V N 1.973 121.719 119.914 -0.281 0.000 2.358 200 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 200 V C 2.925 178.788 176.094 -0.385 0.000 1.047 200 V CA 2.091 64.182 62.300 -0.349 0.000 1.035 200 V CB -0.936 30.608 31.823 -0.465 0.000 0.658 200 V HN 0.571 nan 8.190 nan 0.000 0.452 201 Q N -0.517 118.968 119.800 -0.526 0.000 2.224 201 Q HA -0.191 4.149 4.340 -0.000 0.000 0.203 201 Q C 1.958 177.810 176.000 -0.246 0.000 0.970 201 Q CA 1.083 56.598 55.803 -0.479 0.000 0.865 201 Q CB 0.058 28.437 28.738 -0.600 0.000 0.922 201 Q HN 0.575 nan 8.270 nan 0.000 0.445 202 Q N -0.870 118.820 119.800 -0.183 0.000 2.365 202 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 202 Q C 0.665 176.615 176.000 -0.083 0.000 0.929 202 Q CA 0.703 56.445 55.803 -0.102 0.000 0.948 202 Q CB 0.795 29.494 28.738 -0.066 0.000 1.043 202 Q HN 0.573 nan 8.270 nan 0.000 0.505 203 G N 1.105 109.841 108.800 -0.105 0.000 2.225 203 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 203 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 203 G C 0.332 175.207 174.900 -0.043 0.000 1.024 203 G CA 0.318 45.375 45.100 -0.073 0.000 0.784 203 G HN 0.258 nan 8.290 nan 0.000 0.507 204 V N 1.217 121.103 119.914 -0.046 0.000 2.673 204 V HA 0.346 4.466 4.120 -0.000 0.000 0.303 204 V C 1.387 177.497 176.094 0.026 0.000 1.046 204 V CA 0.524 62.819 62.300 -0.008 0.000 1.126 204 V CB 1.188 33.003 31.823 -0.013 0.000 0.934 204 V HN 1.063 nan 8.190 nan 0.000 0.487 205 S N 6.203 121.947 115.700 0.074 0.000 2.523 205 S HA 0.643 5.113 4.470 -0.000 0.000 0.275 205 S C -0.689 174.071 174.600 0.266 0.000 1.281 205 S CA -0.612 57.685 58.200 0.161 0.000 1.050 205 S CB 0.466 63.755 63.200 0.149 0.000 0.937 205 S HN 0.469 nan 8.310 nan 0.000 0.492 206 I N 3.272 124.006 120.570 0.273 0.000 2.465 206 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 206 I C -1.063 175.122 176.117 0.113 0.000 1.014 206 I CA -0.879 60.531 61.300 0.182 0.000 1.093 206 I CB 1.681 39.718 38.000 0.062 0.000 1.267 206 I HN 0.759 nan 8.210 nan 0.000 0.431 207 Y N 5.353 125.456 120.300 -0.328 0.000 2.364 207 Y HA 0.424 4.974 4.550 -0.000 0.000 0.340 207 Y C -0.499 175.230 175.900 -0.283 0.000 0.975 207 Y CA -0.578 57.164 58.100 -0.597 0.000 1.089 207 Y CB 1.451 39.128 38.460 -1.305 0.000 1.192 207 Y HN 0.495 nan 8.280 nan 0.000 0.454 208 E N 5.301 125.065 120.200 -0.727 0.000 2.134 208 E HA 0.276 4.626 4.350 -0.000 0.000 0.278 208 E C -1.273 174.991 176.600 -0.561 0.000 0.959 208 E CA -0.624 55.482 56.400 -0.491 0.000 0.783 208 E CB 1.343 30.795 29.700 -0.413 0.000 1.095 208 E HN 0.562 nan 8.360 nan 0.000 0.399 209 C N 4.608 123.795 119.300 -0.189 0.000 2.307 209 C HA 0.282 4.742 4.460 -0.000 0.000 0.340 209 C C -0.596 174.388 174.990 -0.011 0.000 1.275 209 C CA -0.531 58.449 59.018 -0.063 0.000 1.811 209 C CB -0.529 27.134 27.740 -0.128 0.000 2.372 209 C HN 0.722 nan 8.230 nan 0.000 0.531 210 Y N 5.844 126.030 120.300 -0.189 0.000 2.350 210 Y HA 0.601 5.151 4.550 -0.000 0.000 0.340 210 Y C -0.240 175.386 175.900 -0.458 0.000 1.006 210 Y CA -0.597 57.180 58.100 -0.538 0.000 1.166 210 Y CB 0.374 38.563 38.460 -0.452 0.000 1.168 210 Y HN 0.612 nan 8.280 nan 0.000 0.502 211 I N 10.453 130.329 120.570 -1.156 0.000 2.291 211 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 211 I C -1.580 173.927 176.117 -1.017 0.000 1.050 211 I CA -2.485 58.255 61.300 -0.934 0.000 1.245 211 I CB 1.459 38.866 38.000 -0.988 0.000 1.405 211 I HN 0.542 nan 8.210 nan 0.000 0.478 212 P HA -0.172 nan 4.420 nan 0.000 0.217 212 P C 0.925 178.067 177.300 -0.263 0.000 1.151 212 P CA 1.173 63.947 63.100 -0.544 0.000 0.828 212 P CB 0.097 31.535 31.700 -0.438 0.000 0.788 213 E N 0.575 120.689 120.200 -0.144 0.000 2.478 213 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 213 E C 0.976 177.628 176.600 0.087 0.000 1.046 213 E CA 0.857 57.276 56.400 0.031 0.000 0.870 213 E CB -0.895 28.873 29.700 0.113 0.000 0.818 213 E HN 0.189 nan 8.360 nan 0.000 0.527 214 G N 1.564 110.386 108.800 0.036 0.000 2.796 214 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.571 214 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.571 214 G C -0.964 173.970 174.900 0.057 0.000 1.370 214 G CA -0.107 45.055 45.100 0.104 0.000 0.856 214 G HN 0.286 nan 8.290 nan 0.000 0.538 215 K N 0.401 120.660 120.400 -0.235 0.000 2.354 215 K HA 0.644 4.964 4.320 -0.000 0.000 0.257 215 K C 0.373 177.010 176.600 0.061 0.000 1.062 215 K CA 0.026 56.136 56.287 -0.295 0.000 0.971 215 K CB 0.354 32.227 32.500 -1.045 0.000 1.305 215 K HN 1.271 nan 8.250 nan 0.000 0.449 216 A N 4.586 127.481 122.820 0.124 0.000 2.343 216 A HA 0.324 4.644 4.320 -0.000 0.000 0.305 216 A C -0.733 176.918 177.584 0.111 0.000 1.308 216 A CA -0.261 51.830 52.037 0.090 0.000 0.949 216 A CB -0.344 18.700 19.000 0.074 0.000 1.148 216 A HN 1.001 nan 8.150 nan 0.000 0.545 217 H N 0.342 119.399 119.070 -0.022 0.000 3.038 217 H HA 0.716 5.272 4.556 -0.000 0.000 0.289 217 H C -0.086 175.205 175.328 -0.062 0.000 1.510 217 H CA -1.181 54.853 56.048 -0.024 0.000 1.227 217 H CB 0.484 30.242 29.762 -0.006 0.000 1.880 217 H HN 0.510 nan 8.280 nan 0.000 0.594 218 R N 0.794 121.271 120.500 -0.039 0.000 2.537 218 R HA 0.127 4.467 4.340 -0.000 0.000 0.281 218 R C -0.656 175.367 176.300 -0.461 0.000 0.988 218 R CA 0.143 56.167 56.100 -0.128 0.000 1.077 218 R CB -0.082 30.244 30.300 0.044 0.000 0.932 218 R HN 0.491 nan 8.270 nan 0.000 0.409 219 L N 4.478 125.465 121.223 -0.393 0.000 2.387 219 L HA 0.406 4.746 4.340 -0.000 0.000 0.266 219 L C -0.551 176.079 176.870 -0.399 0.000 1.059 219 L CA -0.920 53.618 54.840 -0.503 0.000 0.801 219 L CB 0.811 42.725 42.059 -0.241 0.000 1.223 219 L HN 0.545 nan 8.230 nan 0.000 0.456 220 Y N -0.855 119.477 120.300 0.053 0.000 2.420 220 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 220 Y C 0.913 176.873 175.900 0.100 0.000 1.094 220 Y CA -0.736 57.416 58.100 0.088 0.000 1.126 220 Y CB 1.541 40.070 38.460 0.114 0.000 1.217 220 Y HN 0.648 nan 8.280 nan 0.000 0.462 221 G N 1.099 110.057 108.800 0.264 0.000 3.056 221 G HA2 0.309 4.269 3.960 -0.000 0.000 0.175 221 G HA3 0.309 4.269 3.960 -0.000 0.000 0.175 221 G C 0.497 175.532 174.900 0.225 0.000 1.894 221 G CA 0.002 45.218 45.100 0.193 0.000 0.910 221 G HN 0.876 nan 8.290 nan 0.000 0.462 222 G N -1.114 107.801 108.800 0.193 0.000 2.569 222 G HA2 0.349 4.309 3.960 -0.000 0.000 0.249 222 G HA3 0.349 4.309 3.960 -0.000 0.000 0.249 222 G C 0.724 175.740 174.900 0.193 0.000 1.216 222 G CA -0.547 44.675 45.100 0.204 0.000 0.845 222 G HN 0.218 nan 8.290 nan 0.000 0.568 223 L N 0.934 122.243 121.223 0.145 0.000 2.197 223 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 223 L C 2.552 179.646 176.870 0.374 0.000 1.095 223 L CA 1.955 56.887 54.840 0.154 0.000 0.764 223 L CB -0.411 41.627 42.059 -0.035 0.000 0.897 223 L HN 0.777 nan 8.230 nan 0.000 0.436 224 D N -1.439 119.171 120.400 0.349 0.000 2.363 224 D HA -0.136 4.504 4.640 -0.000 0.000 0.226 224 D C 0.896 177.188 176.300 -0.015 0.000 1.020 224 D CA 0.703 54.760 54.000 0.096 0.000 0.892 224 D CB -0.464 40.259 40.800 -0.127 0.000 0.900 224 D HN 0.492 nan 8.370 nan 0.000 0.531 225 D N -0.122 120.315 120.400 0.062 0.000 2.319 225 D HA 0.006 4.646 4.640 -0.000 0.000 0.230 225 D C 1.423 177.714 176.300 -0.015 0.000 1.094 225 D CA -0.110 53.918 54.000 0.046 0.000 0.856 225 D CB -0.240 40.629 40.800 0.116 0.000 0.915 225 D HN 0.244 nan 8.370 nan 0.000 0.517 226 L N -0.405 120.781 121.223 -0.062 0.000 2.728 226 L HA 0.308 4.648 4.340 -0.000 0.000 0.238 226 L C 2.185 178.939 176.870 -0.193 0.000 1.143 226 L CA -0.338 54.381 54.840 -0.203 0.000 0.937 226 L CB 0.147 42.048 42.059 -0.263 0.000 1.225 226 L HN 0.014 nan 8.230 nan 0.000 0.507 227 R N 0.090 120.515 120.500 -0.126 0.000 2.061 227 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 227 R C 2.012 178.238 176.300 -0.123 0.000 1.140 227 R CA 2.120 58.129 56.100 -0.152 0.000 0.940 227 R CB -0.198 29.865 30.300 -0.395 0.000 0.839 227 R HN 0.164 nan 8.270 nan 0.000 0.429 228 T N 1.579 116.094 114.554 -0.066 0.000 2.653 228 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 228 T C 1.758 176.465 174.700 0.012 0.000 1.035 228 T CA 1.928 64.055 62.100 0.045 0.000 1.154 228 T CB -0.271 68.697 68.868 0.167 0.000 0.862 228 T HN 0.316 nan 8.240 nan 0.000 0.441 229 M N 0.457 119.924 119.600 -0.221 0.000 2.149 229 M HA -0.075 4.405 4.480 -0.000 0.000 0.261 229 M C 2.169 178.278 176.300 -0.319 0.000 1.064 229 M CA 1.469 56.458 55.300 -0.519 0.000 1.102 229 M CB -0.211 31.785 32.600 -1.006 0.000 1.369 229 M HN 0.306 nan 8.290 nan 0.000 0.408 230 L N 0.066 121.077 121.223 -0.353 0.000 2.044 230 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 230 L C 2.317 179.049 176.870 -0.229 0.000 1.075 230 L CA 1.770 56.345 54.840 -0.441 0.000 0.747 230 L CB -0.835 40.767 42.059 -0.762 0.000 0.903 230 L HN 0.315 nan 8.230 nan 0.000 0.435 231 V N -2.023 117.830 119.914 -0.102 0.000 2.332 231 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 231 V C 2.200 178.332 176.094 0.062 0.000 1.055 231 V CA 2.213 64.525 62.300 0.019 0.000 1.038 231 V CB -1.117 30.829 31.823 0.204 0.000 0.651 231 V HN 0.645 nan 8.190 nan 0.000 0.450 232 E N -0.450 119.790 120.200 0.067 0.000 2.107 232 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 232 E C 2.271 178.892 176.600 0.035 0.000 0.982 232 E CA 1.543 58.002 56.400 0.099 0.000 0.809 232 E CB -0.310 29.502 29.700 0.187 0.000 0.756 232 E HN 0.734 nan 8.360 nan 0.000 0.459 233 C N 0.508 119.800 119.300 -0.013 0.000 2.425 233 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 233 C C 2.392 177.327 174.990 -0.092 0.000 1.280 233 C CA 0.376 59.357 59.018 -0.061 0.000 1.744 233 C CB -0.923 26.752 27.740 -0.108 0.000 1.989 233 C HN 0.430 nan 8.230 nan 0.000 0.491 234 F N 2.352 122.166 119.950 -0.226 0.000 2.113 234 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 234 F C 2.390 178.039 175.800 -0.252 0.000 1.103 234 F CA 1.515 59.334 58.000 -0.302 0.000 1.248 234 F CB -0.634 38.061 39.000 -0.508 0.000 0.999 234 F HN 0.139 nan 8.300 nan 0.000 0.475 235 A N 0.632 123.349 122.820 -0.172 0.000 1.958 235 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 235 A C 2.406 179.863 177.584 -0.211 0.000 1.178 235 A CA 2.173 54.143 52.037 -0.111 0.000 0.642 235 A CB -1.650 17.418 19.000 0.114 0.000 0.816 235 A HN 0.579 nan 8.150 nan 0.000 0.453 236 A N -0.303 122.405 122.820 -0.187 0.000 1.845 236 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 236 A C 2.035 179.480 177.584 -0.232 0.000 1.195 236 A CA 1.689 53.627 52.037 -0.165 0.000 0.616 236 A CB -0.670 18.262 19.000 -0.113 0.000 0.832 236 A HN 0.427 nan 8.150 nan 0.000 0.443 237 I N -0.138 120.253 120.570 -0.299 0.000 2.151 237 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 237 I C 2.722 178.639 176.117 -0.333 0.000 1.080 237 I CA 2.052 63.192 61.300 -0.267 0.000 1.339 237 I CB -0.378 37.458 38.000 -0.273 0.000 1.039 237 I HN 0.530 nan 8.210 nan 0.000 0.409 238 Q N 0.157 119.608 119.800 -0.582 0.000 2.061 238 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 238 Q C 2.367 178.206 176.000 -0.268 0.000 0.984 238 Q CA 2.472 57.980 55.803 -0.491 0.000 0.846 238 Q CB -0.155 28.270 28.738 -0.521 0.000 0.902 238 Q HN 0.641 nan 8.270 nan 0.000 0.421 239 S N -0.318 115.255 115.700 -0.212 0.000 2.442 239 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 239 S C 1.651 176.171 174.600 -0.132 0.000 1.007 239 S CA 0.826 58.946 58.200 -0.133 0.000 0.965 239 S CB -0.226 62.908 63.200 -0.110 0.000 0.773 239 S HN 0.451 nan 8.310 nan 0.000 0.504 240 L N 1.651 122.765 121.223 -0.181 0.000 2.592 240 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 240 L C 2.626 179.516 176.870 0.033 0.000 1.127 240 L CA 0.281 54.999 54.840 -0.202 0.000 0.884 240 L CB -0.394 41.319 42.059 -0.577 0.000 1.065 240 L HN 0.514 nan 8.230 nan 0.000 0.457 241 Q N -0.509 119.232 119.800 -0.099 0.000 2.364 241 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 241 Q C 1.080 176.921 176.000 -0.265 0.000 0.977 241 Q CA 1.339 57.007 55.803 -0.225 0.000 0.885 241 Q CB -0.149 28.329 28.738 -0.435 0.000 0.941 241 Q HN 0.547 nan 8.270 nan 0.000 0.464 242 H N 0.382 119.515 119.070 0.105 0.000 2.586 242 H HA 0.269 4.825 4.556 -0.000 0.000 0.273 242 H C -0.004 175.446 175.328 0.204 0.000 0.997 242 H CA -0.111 56.003 56.048 0.109 0.000 1.177 242 H CB 0.405 30.196 29.762 0.048 0.000 1.471 242 H HN 0.314 nan 8.280 nan 0.000 0.538 243 E N 1.294 121.732 120.200 0.397 0.000 2.422 243 E HA 0.093 4.443 4.350 -0.000 0.000 0.260 243 E C -0.112 176.802 176.600 0.524 0.000 1.108 243 E CA -0.024 56.622 56.400 0.409 0.000 0.943 243 E CB 2.049 31.985 29.700 0.394 0.000 0.961 243 E HN -0.092 nan 8.360 nan 0.000 0.443 244 V N 1.931 122.051 119.914 0.344 0.000 2.628 244 V HA 0.292 4.412 4.120 -0.000 0.000 0.306 244 V C -0.687 175.500 176.094 0.156 0.000 1.045 244 V CA -0.633 61.843 62.300 0.294 0.000 0.905 244 V CB 2.060 33.991 31.823 0.180 0.000 0.997 244 V HN 0.377 nan 8.190 nan 0.000 0.436 245 V N 3.170 123.159 119.914 0.124 0.000 2.462 245 V HA 0.815 4.935 4.120 -0.000 0.000 0.288 245 V C 0.386 176.484 176.094 0.007 0.000 1.020 245 V CA 0.023 62.294 62.300 -0.048 0.000 0.857 245 V CB 0.874 32.534 31.823 -0.271 0.000 1.013 245 V HN 1.315 nan 8.190 nan 0.000 0.431 246 G N 3.313 112.106 108.800 -0.011 0.000 2.754 246 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 246 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 246 G C -0.821 174.032 174.900 -0.078 0.000 1.121 246 G CA 0.262 45.339 45.100 -0.038 0.000 0.954 246 G HN 0.815 nan 8.290 nan 0.000 0.511 247 Q N -0.850 118.916 119.800 -0.057 0.000 3.093 247 Q HA 0.814 5.154 4.340 -0.000 0.000 0.330 247 Q C -2.010 173.959 176.000 -0.052 0.000 0.947 247 Q CA -1.035 54.734 55.803 -0.058 0.000 0.801 247 Q CB 1.597 30.320 28.738 -0.025 0.000 1.470 247 Q HN 0.269 nan 8.270 nan 0.000 0.498 248 P HA 0.672 nan 4.420 nan 0.000 0.317 248 P C -1.788 175.485 177.300 -0.046 0.000 1.307 248 P CA -0.594 62.477 63.100 -0.049 0.000 0.749 248 P CB 0.773 32.457 31.700 -0.026 0.000 1.377 249 A N -0.572 122.224 122.820 -0.040 0.000 2.515 249 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 249 A C -0.844 176.754 177.584 0.023 0.000 1.094 249 A CA -0.656 51.369 52.037 -0.021 0.000 0.718 249 A CB 0.575 19.544 19.000 -0.051 0.000 1.307 249 A HN 0.395 nan 8.150 nan 0.000 0.408 250 I N 2.067 122.673 120.570 0.060 0.000 2.496 250 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 250 I C 0.310 176.555 176.117 0.214 0.000 1.080 250 I CA 0.462 61.831 61.300 0.116 0.000 1.404 250 I CB 0.542 38.613 38.000 0.119 0.000 1.403 250 I HN 0.708 nan 8.210 nan 0.000 0.539 251 H N 7.146 126.249 119.070 0.055 0.000 3.181 251 H HA 0.487 5.043 4.556 -0.000 0.000 0.331 251 H C -1.356 173.969 175.328 -0.004 0.000 0.988 251 H CA -0.894 55.165 56.048 0.019 0.000 1.449 251 H CB 0.961 30.694 29.762 -0.048 0.000 1.749 251 H HN 0.592 nan 8.280 nan 0.000 0.501 252 R N 3.827 124.206 120.500 -0.201 0.000 2.686 252 R HA 0.306 4.646 4.340 -0.000 0.000 0.283 252 R C -1.037 174.975 176.300 -0.480 0.000 0.978 252 R CA -0.976 54.973 56.100 -0.251 0.000 0.897 252 R CB 3.002 33.368 30.300 0.110 0.000 1.192 252 R HN 0.628 nan 8.270 nan 0.000 0.457 253 Q N 1.395 120.924 119.800 -0.452 0.000 2.325 253 Q HA 0.205 4.545 4.340 -0.000 0.000 0.270 253 Q C -0.870 174.955 176.000 -0.292 0.000 1.020 253 Q CA -0.674 54.840 55.803 -0.481 0.000 0.785 253 Q CB 2.940 31.449 28.738 -0.382 0.000 1.259 253 Q HN 0.474 nan 8.270 nan 0.000 0.452 254 E N 2.518 122.506 120.200 -0.354 0.000 2.568 254 E HA -0.157 4.193 4.350 -0.000 0.000 0.262 254 E C -0.553 176.098 176.600 0.085 0.000 0.961 254 E CA 0.141 56.530 56.400 -0.019 0.000 0.945 254 E CB 0.568 30.311 29.700 0.072 0.000 0.924 254 E HN 0.489 nan 8.360 nan 0.000 0.467 255 H N 6.321 125.376 119.070 -0.024 0.000 2.848 255 H HA 0.155 4.711 4.556 -0.000 0.000 0.317 255 H C -2.092 173.127 175.328 -0.183 0.000 1.046 255 H CA -1.772 54.227 56.048 -0.081 0.000 1.470 255 H CB 0.740 30.443 29.762 -0.098 0.000 1.483 255 H HN 0.380 nan 8.280 nan 0.000 0.548 256 P HA 0.090 nan 4.420 nan 0.000 0.271 256 P C -0.377 176.387 177.300 -0.895 0.000 1.218 256 P CA 0.080 62.494 63.100 -1.144 0.000 0.780 256 P CB 1.380 32.669 31.700 -0.685 0.000 0.901 257 H N 0.678 119.206 119.070 -0.903 0.000 2.499 257 H HA 0.282 4.838 4.556 -0.000 0.000 0.352 257 H C 0.947 176.178 175.328 -0.161 0.000 1.237 257 H CA -0.912 54.963 56.048 -0.288 0.000 1.343 257 H CB 0.893 30.649 29.762 -0.010 0.000 1.578 257 H HN 0.266 nan 8.280 nan 0.000 0.577 258 R N 1.406 121.956 120.500 0.083 0.000 2.538 258 R HA -0.003 4.337 4.340 -0.000 0.000 0.282 258 R C -0.520 175.826 176.300 0.076 0.000 1.009 258 R CA -0.076 56.067 56.100 0.072 0.000 1.063 258 R CB 0.311 30.646 30.300 0.060 0.000 0.945 258 R HN 0.333 nan 8.270 nan 0.000 0.414 259 V N 6.700 126.632 119.914 0.031 0.000 2.720 259 V HA -0.025 4.095 4.120 -0.000 0.000 0.307 259 V C -1.695 174.332 176.094 -0.112 0.000 1.071 259 V CA -0.792 61.472 62.300 -0.060 0.000 1.199 259 V CB -0.052 31.562 31.823 -0.349 0.000 0.900 259 V HN 0.686 nan 8.190 nan 0.000 0.494 260 P HA 0.206 nan 4.420 nan 0.000 0.272 260 P C 0.895 178.049 177.300 -0.243 0.000 1.223 260 P CA -0.309 62.692 63.100 -0.164 0.000 0.784 260 P CB 0.764 32.321 31.700 -0.238 0.000 0.923 261 V N 1.952 121.784 119.914 -0.138 0.000 2.307 261 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 261 V C 2.360 178.393 176.094 -0.101 0.000 1.045 261 V CA 2.156 64.394 62.300 -0.103 0.000 1.024 261 V CB -1.600 30.210 31.823 -0.022 0.000 0.651 261 V HN 0.781 nan 8.190 nan 0.000 0.449 262 H N -0.600 118.451 119.070 -0.031 0.000 2.457 262 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 262 H C 2.093 177.407 175.328 -0.023 0.000 1.092 262 H CA 2.078 58.112 56.048 -0.024 0.000 1.309 262 H CB -0.212 29.541 29.762 -0.015 0.000 1.382 262 H HN 0.439 nan 8.280 nan 0.000 0.535 263 I N 1.072 121.331 120.570 -0.517 0.000 2.585 263 I HA -0.034 4.136 4.170 -0.000 0.000 0.254 263 I C 2.987 179.015 176.117 -0.149 0.000 1.129 263 I CA 0.753 61.890 61.300 -0.273 0.000 1.455 263 I CB -0.194 37.632 38.000 -0.289 0.000 1.111 263 I HN 0.306 nan 8.210 nan 0.000 0.433 264 A N 0.203 122.881 122.820 -0.238 0.000 1.933 264 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 264 A C 1.778 179.312 177.584 -0.082 0.000 1.175 264 A CA 1.304 53.187 52.037 -0.258 0.000 0.628 264 A CB -0.477 18.239 19.000 -0.473 0.000 0.814 264 A HN 0.417 nan 8.150 nan 0.000 0.444 265 E N 0.070 120.234 120.200 -0.061 0.000 2.303 265 E HA 0.095 4.445 4.350 -0.000 0.000 0.211 265 E C -0.472 176.130 176.600 0.003 0.000 1.223 265 E CA -0.228 56.162 56.400 -0.017 0.000 1.344 265 E CB -0.054 29.639 29.700 -0.011 0.000 1.299 265 E HN 0.636 nan 8.360 nan 0.000 0.441 266 R N -1.167 119.342 120.500 0.015 0.000 2.807 266 R HA 0.541 4.881 4.340 -0.000 0.000 0.276 266 R C -0.708 175.603 176.300 0.019 0.000 0.979 266 R CA -0.973 55.137 56.100 0.018 0.000 0.928 266 R CB 1.332 31.650 30.300 0.029 0.000 1.191 266 R HN -0.189 nan 8.270 nan 0.000 0.471 267 V N 1.528 121.437 119.914 -0.009 0.000 2.432 267 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 267 V C 1.216 177.320 176.094 0.017 0.000 1.043 267 V CA -0.151 62.126 62.300 -0.039 0.000 0.925 267 V CB 1.340 33.090 31.823 -0.122 0.000 0.985 267 V HN 1.099 nan 8.190 nan 0.000 0.466 268 G N 3.743 112.600 108.800 0.094 0.000 2.920 268 G HA2 0.178 4.138 3.960 -0.000 0.000 0.208 268 G HA3 0.178 4.138 3.960 -0.000 0.000 0.208 268 G C 0.151 175.275 174.900 0.373 0.000 1.159 268 G CA 0.813 46.059 45.100 0.243 0.000 0.784 268 G HN 0.921 nan 8.290 nan 0.000 0.535 269 Y N -2.600 117.747 120.300 0.078 0.000 2.779 269 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 269 Y C -2.157 173.761 175.900 0.030 0.000 1.252 269 Y CA -2.123 56.021 58.100 0.074 0.000 1.072 269 Y CB 0.765 39.259 38.460 0.057 0.000 1.343 269 Y HN -0.111 nan 8.280 nan 0.000 0.450 270 D N 1.352 121.853 120.400 0.169 0.000 2.443 270 D HA 0.313 4.953 4.640 -0.000 0.000 0.221 270 D C 0.643 176.987 176.300 0.073 0.000 1.097 270 D CA -0.223 53.803 54.000 0.042 0.000 0.865 270 D CB 1.642 42.498 40.800 0.095 0.000 1.034 270 D HN 0.538 nan 8.370 nan 0.000 0.511 271 V N 4.100 123.933 119.914 -0.135 0.000 2.255 271 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 271 V C 2.384 178.500 176.094 0.036 0.000 1.051 271 V CA 2.149 64.411 62.300 -0.063 0.000 1.018 271 V CB -0.599 31.105 31.823 -0.199 0.000 0.641 271 V HN 0.679 nan 8.190 nan 0.000 0.445 272 E N 0.261 120.472 120.200 0.019 0.000 2.070 272 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 272 E C 2.212 178.880 176.600 0.114 0.000 1.004 272 E CA 1.726 58.155 56.400 0.050 0.000 0.805 272 E CB -0.279 29.439 29.700 0.030 0.000 0.744 272 E HN 0.562 nan 8.360 nan 0.000 0.451 273 A N 0.201 123.100 122.820 0.133 0.000 1.877 273 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 273 A C 2.419 180.113 177.584 0.183 0.000 1.186 273 A CA 2.106 54.249 52.037 0.176 0.000 0.620 273 A CB -1.028 18.061 19.000 0.147 0.000 0.822 273 A HN 0.377 nan 8.150 nan 0.000 0.443 274 T N 0.643 115.299 114.554 0.171 0.000 2.720 274 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 274 T C 1.789 176.555 174.700 0.109 0.000 1.037 274 T CA 1.605 63.786 62.100 0.134 0.000 1.144 274 T CB -0.431 68.517 68.868 0.133 0.000 0.864 274 T HN 0.382 nan 8.240 nan 0.000 0.444 275 L N -0.139 121.154 121.223 0.117 0.000 2.083 275 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 275 L C 2.512 179.506 176.870 0.206 0.000 1.083 275 L CA 1.508 56.428 54.840 0.133 0.000 0.752 275 L CB -0.671 41.458 42.059 0.117 0.000 0.899 275 L HN 0.440 nan 8.230 nan 0.000 0.433 276 H N -0.078 119.042 119.070 0.082 0.000 2.387 276 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 276 H C 2.446 177.830 175.328 0.093 0.000 1.099 276 H CA 1.215 57.311 56.048 0.080 0.000 1.315 276 H CB 0.353 30.154 29.762 0.064 0.000 1.380 276 H HN 0.045 nan 8.280 nan 0.000 0.513 277 R N 0.704 121.301 120.500 0.163 0.000 2.119 277 R HA -0.066 4.274 4.340 -0.000 0.000 0.222 277 R C 2.140 178.528 176.300 0.146 0.000 1.088 277 R CA 0.628 56.777 56.100 0.081 0.000 0.984 277 R CB -0.861 29.540 30.300 0.167 0.000 0.884 277 R HN 0.317 nan 8.270 nan 0.000 0.447 278 L N 0.160 121.483 121.223 0.166 0.000 2.263 278 L HA -0.055 4.285 4.340 -0.000 0.000 0.216 278 L C 1.448 178.489 176.870 0.286 0.000 1.111 278 L CA 1.786 56.732 54.840 0.176 0.000 0.773 278 L CB -0.222 41.941 42.059 0.174 0.000 0.906 278 L HN 0.300 nan 8.230 nan 0.000 0.439 279 M N -1.863 117.913 119.600 0.294 0.000 2.383 279 M HA 0.138 4.618 4.480 -0.000 0.000 0.247 279 M C 0.248 176.770 176.300 0.370 0.000 1.117 279 M CA 0.119 55.661 55.300 0.404 0.000 0.995 279 M CB 0.342 33.117 32.600 0.291 0.000 1.480 279 M HN 0.158 nan 8.290 nan 0.000 0.485 280 Q N -0.905 118.985 119.800 0.150 0.000 2.306 280 Q HA 0.325 4.665 4.340 -0.000 0.000 0.269 280 Q C -0.309 175.625 176.000 -0.111 0.000 1.053 280 Q CA -0.917 54.855 55.803 -0.051 0.000 0.879 280 Q CB 1.161 29.703 28.738 -0.326 0.000 1.344 280 Q HN 0.200 nan 8.270 nan 0.000 0.464 281 H N -1.636 117.452 119.070 0.030 0.000 2.820 281 H HA -0.190 4.366 4.556 -0.000 0.000 0.295 281 H C -1.110 174.157 175.328 -0.101 0.000 1.187 281 H CA 0.597 56.622 56.048 -0.038 0.000 1.144 281 H CB -1.713 27.992 29.762 -0.095 0.000 1.354 281 H HN 0.490 nan 8.280 nan 0.000 0.395 282 W N -0.156 121.199 121.300 0.091 0.000 2.086 282 W HA 0.428 5.088 4.660 -0.000 0.000 0.355 282 W C 0.638 177.182 176.519 0.042 0.000 1.313 282 W CA 0.402 57.780 57.345 0.056 0.000 1.358 282 W CB 0.926 30.404 29.460 0.030 0.000 1.166 282 W HN 0.082 nan 8.180 nan 0.000 0.630 283 T N 1.629 116.404 114.554 0.368 0.000 4.158 283 T HA 0.067 4.417 4.350 -0.000 0.000 0.284 283 T C -1.868 172.927 174.700 0.158 0.000 0.649 283 T CA -0.786 61.422 62.100 0.180 0.000 0.927 283 T CB 0.347 69.267 68.868 0.086 0.000 1.172 283 T HN 0.031 nan 8.240 nan 0.000 0.479 284 P HA -0.288 nan 4.420 nan 0.000 0.228 284 P C 1.412 178.742 177.300 0.049 0.000 1.153 284 P CA 1.433 64.575 63.100 0.070 0.000 0.897 284 P CB 0.241 31.965 31.700 0.039 0.000 0.782 285 R N -0.363 120.155 120.500 0.029 0.000 2.075 285 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 285 R C 2.195 178.466 176.300 -0.049 0.000 1.126 285 R CA 1.464 57.555 56.100 -0.015 0.000 0.963 285 R CB -0.834 29.447 30.300 -0.032 0.000 0.858 285 R HN 0.202 nan 8.270 nan 0.000 0.435 286 Q N -0.009 119.773 119.800 -0.029 0.000 1.708 286 Q HA -0.194 4.146 4.340 -0.000 0.000 0.378 286 Q C 1.951 177.977 176.000 0.045 0.000 1.010 286 Q CA 2.391 58.170 55.803 -0.040 0.000 0.892 286 Q CB -0.621 28.140 28.738 0.039 0.000 0.954 286 Q HN 0.153 nan 8.270 nan 0.000 0.405 287 V N 1.076 121.111 119.914 0.202 0.000 2.346 287 V HA -0.417 3.703 4.120 -0.000 0.000 0.264 287 V C 2.161 178.281 176.094 0.043 0.000 1.132 287 V CA 2.538 64.912 62.300 0.123 0.000 1.114 287 V CB -0.801 31.053 31.823 0.053 0.000 0.780 287 V HN 0.496 nan 8.190 nan 0.000 0.456 288 E N -0.990 119.220 120.200 0.016 0.000 2.076 288 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 288 E C 2.141 178.735 176.600 -0.010 0.000 0.979 288 E CA 0.884 57.284 56.400 -0.000 0.000 0.807 288 E CB -0.052 29.643 29.700 -0.009 0.000 0.761 288 E HN 0.454 nan 8.360 nan 0.000 0.454 289 L N 1.237 122.418 121.223 -0.071 0.000 2.127 289 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 289 L C 2.283 179.189 176.870 0.060 0.000 1.089 289 L CA 1.264 56.025 54.840 -0.132 0.000 0.757 289 L CB -0.673 41.099 42.059 -0.479 0.000 0.899 289 L HN 0.257 nan 8.230 nan 0.000 0.434 290 L N -1.228 120.049 121.223 0.090 0.000 2.265 290 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 290 L C 2.323 179.349 176.870 0.259 0.000 1.117 290 L CA 0.392 55.359 54.840 0.213 0.000 0.782 290 L CB -0.320 41.788 42.059 0.083 0.000 0.914 290 L HN 0.209 nan 8.230 nan 0.000 0.441 291 E N 0.441 120.718 120.200 0.129 0.000 2.233 291 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 291 E C 2.021 178.663 176.600 0.069 0.000 1.004 291 E CA 1.193 57.640 56.400 0.079 0.000 0.819 291 E CB -0.274 29.446 29.700 0.033 0.000 0.738 291 E HN 0.456 nan 8.360 nan 0.000 0.478 292 L N -0.582 120.676 121.223 0.059 0.000 2.551 292 L HA 0.014 4.354 4.340 -0.000 0.000 0.228 292 L C 0.107 176.822 176.870 -0.257 0.000 1.153 292 L CA -0.074 54.668 54.840 -0.162 0.000 0.851 292 L CB -0.058 41.793 42.059 -0.346 0.000 0.959 292 L HN -0.020 nan 8.230 nan 0.000 0.451 293 F N -0.737 119.238 119.950 0.043 0.000 2.483 293 F HA 0.276 4.803 4.527 -0.000 0.000 0.329 293 F C 1.206 177.041 175.800 0.058 0.000 1.064 293 F CA -1.307 56.735 58.000 0.071 0.000 0.986 293 F CB 0.904 39.961 39.000 0.095 0.000 1.218 293 F HN -0.184 nan 8.300 nan 0.000 0.484 294 T N -2.047 112.654 114.554 0.245 0.000 2.908 294 T HA -0.024 4.326 4.350 -0.000 0.000 0.325 294 T C 1.125 175.910 174.700 0.141 0.000 1.092 294 T CA -0.058 62.140 62.100 0.164 0.000 1.125 294 T CB 0.464 69.430 68.868 0.164 0.000 1.016 294 T HN 0.688 nan 8.240 nan 0.000 0.550 295 T N 3.661 118.269 114.554 0.089 0.000 2.684 295 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 295 T C -0.698 174.012 174.700 0.016 0.000 1.036 295 T CA 1.744 63.873 62.100 0.048 0.000 1.148 295 T CB -1.371 67.517 68.868 0.033 0.000 0.863 295 T HN 0.620 nan 8.240 nan 0.000 0.436 296 P HA -0.047 nan 4.420 nan 0.000 0.216 296 P C 1.635 178.866 177.300 -0.115 0.000 1.153 296 P CA 0.713 63.825 63.100 0.019 0.000 0.858 296 P CB -0.235 31.545 31.700 0.134 0.000 0.789 297 V N -0.297 119.636 119.914 0.032 0.000 2.427 297 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 297 V C 2.707 178.700 176.094 -0.167 0.000 1.051 297 V CA 1.727 64.026 62.300 -0.001 0.000 1.048 297 V CB -0.975 31.006 31.823 0.265 0.000 0.666 297 V HN 0.054 nan 8.190 nan 0.000 0.456 298 R N 0.010 120.483 120.500 -0.045 0.000 2.070 298 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 298 R C 2.395 178.610 176.300 -0.142 0.000 1.137 298 R CA 1.630 57.704 56.100 -0.044 0.000 0.945 298 R CB -0.158 30.165 30.300 0.039 0.000 0.845 298 R HN 0.425 nan 8.270 nan 0.000 0.430 299 E N -0.164 119.934 120.200 -0.170 0.000 2.051 299 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 299 E C 1.907 178.308 176.600 -0.333 0.000 0.991 299 E CA 1.373 57.655 56.400 -0.197 0.000 0.799 299 E CB -0.740 28.873 29.700 -0.145 0.000 0.748 299 E HN 0.578 nan 8.360 nan 0.000 0.449 300 G N 1.963 110.372 108.800 -0.652 0.000 2.586 300 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 300 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 300 G C 1.603 176.112 174.900 -0.651 0.000 1.216 300 G CA 0.783 45.126 45.100 -1.262 0.000 0.786 300 G HN 0.228 nan 8.290 nan 0.000 0.583 301 L N 0.086 121.045 121.223 -0.440 0.000 2.131 301 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 301 L C 3.145 180.081 176.870 0.111 0.000 1.092 301 L CA 1.126 56.003 54.840 0.062 0.000 0.759 301 L CB -0.368 41.775 42.059 0.140 0.000 0.903 301 L HN 0.288 nan 8.230 nan 0.000 0.435 302 R N -1.076 119.377 120.500 -0.078 0.000 2.092 302 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 302 R C 2.048 178.200 176.300 -0.246 0.000 1.119 302 R CA 1.741 57.714 56.100 -0.211 0.000 0.970 302 R CB -0.335 29.850 30.300 -0.191 0.000 0.864 302 R HN 0.346 nan 8.270 nan 0.000 0.440 303 T N 0.323 114.787 114.554 -0.149 0.000 2.778 303 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 303 T C 1.878 176.545 174.700 -0.055 0.000 1.050 303 T CA 1.230 63.266 62.100 -0.106 0.000 1.137 303 T CB -0.400 68.423 68.868 -0.074 0.000 0.860 303 T HN 0.382 nan 8.240 nan 0.000 0.468 304 C N 1.756 121.086 119.300 0.050 0.000 2.430 304 C HA -0.052 4.408 4.460 -0.000 0.000 0.288 304 C C 2.678 177.746 174.990 0.130 0.000 1.448 304 C CA 0.219 59.360 59.018 0.204 0.000 1.784 304 C CB -1.434 26.559 27.740 0.421 0.000 1.776 304 C HN 0.618 nan 8.230 nan 0.000 0.547 305 Q N 0.144 119.767 119.800 -0.295 0.000 2.224 305 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 305 Q C 2.193 178.086 176.000 -0.179 0.000 0.970 305 Q CA 1.129 56.632 55.803 -0.501 0.000 0.865 305 Q CB -0.024 28.228 28.738 -0.810 0.000 0.922 305 Q HN 0.721 nan 8.270 nan 0.000 0.445 306 R N -0.141 120.290 120.500 -0.115 0.000 2.221 306 R HA 0.193 4.533 4.340 -0.000 0.000 0.195 306 R C 0.680 176.977 176.300 -0.005 0.000 0.956 306 R CA 0.248 56.314 56.100 -0.058 0.000 1.064 306 R CB 0.599 30.855 30.300 -0.074 0.000 1.049 306 R HN 0.076 nan 8.270 nan 0.000 0.534 307 R N 0.340 120.850 120.500 0.017 0.000 2.733 307 R HA 0.413 4.753 4.340 -0.000 0.000 0.272 307 R C -3.313 173.041 176.300 0.090 0.000 1.029 307 R CA -2.049 54.079 56.100 0.046 0.000 0.888 307 R CB 1.133 31.442 30.300 0.015 0.000 1.251 307 R HN -0.271 nan 8.270 nan 0.000 0.464 308 P HA 0.276 nan 4.420 nan 0.000 0.276 308 P C -1.304 176.084 177.300 0.146 0.000 1.235 308 P CA -0.228 62.992 63.100 0.200 0.000 0.772 308 P CB 1.440 33.295 31.700 0.259 0.000 0.871 309 A N 3.098 126.039 122.820 0.201 0.000 2.393 309 A HA 0.742 5.062 4.320 -0.000 0.000 0.306 309 A C -0.455 177.289 177.584 0.267 0.000 1.050 309 A CA -0.489 51.598 52.037 0.083 0.000 0.724 309 A CB 0.467 19.566 19.000 0.164 0.000 1.248 309 A HN 0.574 nan 8.150 nan 0.000 0.424 310 F N -0.201 119.814 119.950 0.108 0.000 3.020 310 F HA 0.252 4.779 4.527 -0.000 0.000 0.392 310 F C 0.929 176.527 175.800 -0.336 0.000 1.018 310 F CA -0.373 57.476 58.000 -0.251 0.000 1.045 310 F CB -0.285 38.589 39.000 -0.210 0.000 1.261 310 F HN 0.372 nan 8.300 nan 0.000 0.549 311 N N 2.246 120.758 118.700 -0.313 0.000 2.205 311 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 311 N C 1.731 177.227 175.510 -0.024 0.000 1.015 311 N CA 2.126 55.108 53.050 -0.113 0.000 0.862 311 N CB -0.700 37.718 38.487 -0.115 0.000 0.986 311 N HN 0.609 nan 8.380 nan 0.000 0.429 312 F N -0.176 119.781 119.950 0.011 0.000 2.250 312 F HA 0.024 4.551 4.527 -0.000 0.000 0.301 312 F C 1.288 177.156 175.800 0.113 0.000 1.077 312 F CA 0.372 58.406 58.000 0.058 0.000 1.348 312 F CB -0.562 38.470 39.000 0.052 0.000 1.040 312 F HN -0.111 nan 8.300 nan 0.000 0.509 313 M N 3.315 122.525 119.600 -0.650 0.000 3.590 313 M HA 0.217 4.697 4.480 -0.000 0.000 0.214 313 M C -0.622 175.633 176.300 -0.074 0.000 1.306 313 M CA -1.143 53.924 55.300 -0.388 0.000 1.479 313 M CB -1.334 30.831 32.600 -0.725 0.000 1.083 313 M HN 0.314 nan 8.290 nan 0.000 0.617 314 D N -0.677 119.769 120.400 0.077 0.000 2.447 314 D HA 0.066 4.706 4.640 -0.000 0.000 0.265 314 D C 0.680 177.146 176.300 0.276 0.000 1.250 314 D CA -0.225 53.864 54.000 0.149 0.000 1.046 314 D CB 0.403 41.294 40.800 0.151 0.000 1.095 314 D HN 0.465 nan 8.370 nan 0.000 0.555 315 E N -1.248 119.136 120.200 0.307 0.000 2.095 315 E HA -0.259 4.091 4.350 -0.000 0.000 0.212 315 E C 1.927 178.816 176.600 0.482 0.000 1.044 315 E CA 1.817 58.451 56.400 0.390 0.000 0.857 315 E CB -0.114 29.721 29.700 0.225 0.000 0.764 315 E HN 0.415 nan 8.360 nan 0.000 0.462 316 M N -0.506 119.302 119.600 0.348 0.000 2.200 316 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 316 M C 2.323 178.793 176.300 0.283 0.000 1.066 316 M CA 1.160 56.644 55.300 0.306 0.000 1.127 316 M CB -1.177 31.559 32.600 0.227 0.000 1.379 316 M HN 0.123 nan 8.290 nan 0.000 0.420 317 A N -0.531 122.468 122.820 0.299 0.000 1.978 317 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 317 A C 2.179 179.986 177.584 0.372 0.000 1.170 317 A CA 1.338 53.567 52.037 0.320 0.000 0.636 317 A CB -1.197 18.011 19.000 0.347 0.000 0.810 317 A HN 0.766 nan 8.150 nan 0.000 0.448 318 W N 0.373 121.801 121.300 0.212 0.000 2.409 318 W HA -0.060 4.600 4.660 -0.000 0.000 0.299 318 W C 2.239 178.862 176.519 0.173 0.000 1.203 318 W CA 1.261 58.732 57.345 0.209 0.000 1.298 318 W CB -0.107 29.495 29.460 0.236 0.000 1.127 318 W HN 0.413 nan 8.180 nan 0.000 0.528 319 A N 1.227 124.052 122.820 0.008 0.000 1.902 319 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 319 A C 2.124 179.653 177.584 -0.092 0.000 1.181 319 A CA 2.502 54.363 52.037 -0.293 0.000 0.623 319 A CB -1.381 17.438 19.000 -0.303 0.000 0.818 319 A HN 0.332 nan 8.150 nan 0.000 0.443 320 A N -1.035 121.837 122.820 0.086 0.000 1.917 320 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 320 A C 2.298 179.952 177.584 0.117 0.000 1.182 320 A CA 2.504 54.631 52.037 0.149 0.000 0.633 320 A CB -1.306 17.797 19.000 0.171 0.000 0.819 320 A HN 0.432 nan 8.150 nan 0.000 0.448 321 T N -2.320 112.274 114.554 0.067 0.000 2.904 321 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 321 T C 1.697 176.335 174.700 -0.104 0.000 1.059 321 T CA 1.321 63.495 62.100 0.124 0.000 1.137 321 T CB -0.316 68.624 68.868 0.119 0.000 0.879 321 T HN 0.554 nan 8.240 nan 0.000 0.467 322 Y N 0.960 120.946 120.300 -0.523 0.000 2.242 322 Y HA -0.170 4.380 4.550 -0.000 0.000 0.291 322 Y C 2.627 178.331 175.900 -0.326 0.000 1.137 322 Y CA 1.348 59.099 58.100 -0.583 0.000 1.181 322 Y CB -0.033 37.947 38.460 -0.801 0.000 0.989 322 Y HN 0.327 nan 8.280 nan 0.000 0.527 323 H N -1.590 117.489 119.070 0.014 0.000 2.357 323 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 323 H C 2.445 177.751 175.328 -0.038 0.000 1.082 323 H CA 1.783 57.826 56.048 -0.008 0.000 1.342 323 H CB -0.517 29.224 29.762 -0.035 0.000 1.389 323 H HN 0.254 nan 8.280 nan 0.000 0.511 324 V N 1.326 121.270 119.914 0.050 0.000 2.407 324 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 324 V C 2.810 178.896 176.094 -0.014 0.000 1.055 324 V CA 1.227 63.496 62.300 -0.051 0.000 1.049 324 V CB -0.637 30.923 31.823 -0.438 0.000 0.662 324 V HN 0.221 nan 8.190 nan 0.000 0.455 325 L N -0.909 120.299 121.223 -0.024 0.000 2.017 325 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 325 L C 2.421 179.318 176.870 0.045 0.000 1.073 325 L CA 1.474 56.275 54.840 -0.065 0.000 0.745 325 L CB -0.496 41.276 42.059 -0.478 0.000 0.894 325 L HN 0.275 nan 8.230 nan 0.000 0.432 326 L N -0.333 120.936 121.223 0.076 0.000 2.081 326 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 326 L C 2.531 179.369 176.870 -0.053 0.000 1.080 326 L CA 1.634 56.501 54.840 0.045 0.000 0.754 326 L CB -0.359 41.694 42.059 -0.010 0.000 0.893 326 L HN 0.393 nan 8.230 nan 0.000 0.433 327 E N -1.495 118.645 120.200 -0.100 0.000 2.400 327 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 327 E C 1.238 177.529 176.600 -0.515 0.000 1.012 327 E CA 0.472 56.707 56.400 -0.275 0.000 0.875 327 E CB 0.305 29.824 29.700 -0.301 0.000 0.859 327 E HN 0.610 nan 8.360 nan 0.000 0.498 328 H N -1.936 117.001 119.070 -0.222 0.000 3.457 328 H HA 0.164 4.720 4.556 -0.000 0.000 0.255 328 H C -0.602 174.135 175.328 -0.985 0.000 1.082 328 H CA -0.478 55.326 56.048 -0.407 0.000 1.189 328 H CB 0.471 30.078 29.762 -0.259 0.000 1.511 328 H HN 0.031 nan 8.280 nan 0.000 0.527 329 F N 3.226 122.624 119.950 -0.919 0.000 2.541 329 F HA 0.117 4.644 4.527 -0.000 0.000 0.378 329 F C 0.058 175.448 175.800 -0.683 0.000 1.068 329 F CA -0.252 57.088 58.000 -1.100 0.000 1.199 329 F CB 0.602 39.392 39.000 -0.349 0.000 1.091 329 F HN -0.005 nan 8.300 nan 0.000 0.555 330 Q N 8.544 127.479 119.800 -1.443 0.000 2.390 330 Q HA 0.301 4.641 4.340 -0.000 0.000 0.249 330 Q C -2.354 173.112 176.000 -0.891 0.000 0.996 330 Q CA -2.064 53.253 55.803 -0.810 0.000 0.899 330 Q CB 1.260 29.750 28.738 -0.412 0.000 1.216 330 Q HN 0.432 nan 8.270 nan 0.000 0.465 331 P HA 0.028 nan 4.420 nan 0.000 0.265 331 P C 0.658 177.873 177.300 -0.141 0.000 1.193 331 P CA 0.750 63.728 63.100 -0.202 0.000 0.765 331 P CB 0.686 32.430 31.700 0.073 0.000 0.823 332 G N 1.777 110.542 108.800 -0.058 0.000 2.176 332 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.253 332 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.253 332 G C 0.102 174.985 174.900 -0.029 0.000 0.979 332 G CA -0.004 45.084 45.100 -0.021 0.000 0.641 332 G HN 0.660 nan 8.290 nan 0.000 0.530 333 D N 1.331 121.695 120.400 -0.060 0.000 2.339 333 D HA 0.345 4.985 4.640 -0.000 0.000 0.241 333 D C -0.194 176.123 176.300 0.028 0.000 1.183 333 D CA -1.578 52.427 54.000 0.008 0.000 0.859 333 D CB 1.521 42.380 40.800 0.098 0.000 1.067 333 D HN 0.184 nan 8.370 nan 0.000 0.484 334 P HA -0.125 nan 4.420 nan 0.000 0.219 334 P C 0.649 177.944 177.300 -0.009 0.000 1.146 334 P CA 0.754 63.852 63.100 -0.003 0.000 0.808 334 P CB 0.700 32.386 31.700 -0.023 0.000 0.779 335 D N -1.256 119.127 120.400 -0.028 0.000 2.162 335 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 335 D C 2.011 178.249 176.300 -0.103 0.000 0.964 335 D CA 0.797 54.736 54.000 -0.102 0.000 0.847 335 D CB -0.605 40.089 40.800 -0.176 0.000 0.988 335 D HN 0.227 nan 8.370 nan 0.000 0.480 336 W N 1.997 123.284 121.300 -0.021 0.000 2.374 336 W HA -0.074 4.586 4.660 0.000 0.000 0.288 336 W C 2.448 179.075 176.519 0.180 0.000 1.218 336 W CA 0.585 57.942 57.345 0.019 0.000 1.245 336 W CB 0.053 29.342 29.460 -0.286 0.000 1.126 336 W HN 0.026 nan 8.180 nan 0.000 0.545 337 E N -0.057 120.328 120.200 0.309 0.000 2.028 337 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 337 E C 1.904 178.643 176.600 0.232 0.000 0.988 337 E CA 1.368 57.974 56.400 0.342 0.000 0.799 337 E CB -0.236 29.577 29.700 0.189 0.000 0.755 337 E HN 0.065 nan 8.360 nan 0.000 0.447 338 E N 1.151 121.410 120.200 0.097 0.000 2.085 338 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 338 E C 1.921 178.562 176.600 0.068 0.000 0.994 338 E CA 0.725 57.154 56.400 0.047 0.000 0.801 338 E CB -0.276 29.384 29.700 -0.067 0.000 0.743 338 E HN 0.094 nan 8.360 nan 0.000 0.453 339 L N 0.080 121.321 121.223 0.030 0.000 2.046 339 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 339 L C 2.361 179.291 176.870 0.099 0.000 1.077 339 L CA 1.746 56.577 54.840 -0.017 0.000 0.747 339 L CB -0.886 41.124 42.059 -0.081 0.000 0.896 339 L HN 0.403 nan 8.230 nan 0.000 0.432 340 L N -1.547 119.812 121.223 0.226 0.000 2.141 340 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 340 L C 2.257 179.230 176.870 0.171 0.000 1.094 340 L CA 1.666 56.584 54.840 0.130 0.000 0.763 340 L CB -0.868 41.172 42.059 -0.032 0.000 0.908 340 L HN 0.313 nan 8.230 nan 0.000 0.437 341 F N 0.628 120.617 119.950 0.065 0.000 2.014 341 F HA -0.206 4.321 4.527 -0.000 0.000 0.295 341 F C 2.385 178.276 175.800 0.152 0.000 1.145 341 F CA 2.004 60.069 58.000 0.109 0.000 1.178 341 F CB -0.316 38.717 39.000 0.054 0.000 0.972 341 F HN -0.035 nan 8.300 nan 0.000 0.476 342 K N 0.097 120.543 120.400 0.077 0.000 2.071 342 K HA -0.279 4.041 4.320 -0.000 0.000 0.217 342 K C 1.882 178.441 176.600 -0.068 0.000 1.054 342 K CA 2.026 58.250 56.287 -0.104 0.000 0.937 342 K CB -0.830 31.593 32.500 -0.128 0.000 0.719 342 K HN 0.255 nan 8.250 nan 0.000 0.454 343 L N -0.086 121.168 121.223 0.052 0.000 1.989 343 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 343 L C 2.220 179.187 176.870 0.163 0.000 1.071 343 L CA 1.723 56.665 54.840 0.170 0.000 0.749 343 L CB -1.286 40.899 42.059 0.210 0.000 0.890 343 L HN 0.405 nan 8.230 nan 0.000 0.431 344 W N 0.391 121.655 121.300 -0.060 0.000 2.358 344 W HA -0.214 4.446 4.660 -0.000 0.000 0.303 344 W C 2.412 178.653 176.519 -0.463 0.000 1.208 344 W CA 2.194 59.348 57.345 -0.319 0.000 1.274 344 W CB -0.506 28.844 29.460 -0.184 0.000 1.138 344 W HN 0.069 nan 8.180 nan 0.000 0.515 345 T N 0.020 114.237 114.554 -0.561 0.000 2.720 345 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 345 T C 1.793 176.153 174.700 -0.567 0.000 1.037 345 T CA 2.811 64.437 62.100 -0.789 0.000 1.144 345 T CB -0.963 67.500 68.868 -0.675 0.000 0.864 345 T HN 0.433 nan 8.240 nan 0.000 0.444 346 T N 0.516 114.871 114.554 -0.332 0.000 2.867 346 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 346 T C 2.006 176.470 174.700 -0.393 0.000 1.057 346 T CA 0.932 62.885 62.100 -0.245 0.000 1.136 346 T CB -0.233 68.580 68.868 -0.092 0.000 0.874 346 T HN 0.110 nan 8.240 nan 0.000 0.466 347 R N 1.208 121.398 120.500 -0.516 0.000 2.105 347 R HA 0.042 4.382 4.340 -0.000 0.000 0.239 347 R C 2.213 178.148 176.300 -0.608 0.000 1.135 347 R CA 1.376 57.095 56.100 -0.635 0.000 0.967 347 R CB -1.301 28.277 30.300 -1.203 0.000 0.861 347 R HN 0.409 nan 8.270 nan 0.000 0.442 348 V N 0.473 119.909 119.914 -0.797 0.000 2.283 348 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 348 V C 2.348 178.188 176.094 -0.425 0.000 1.039 348 V CA 1.754 63.625 62.300 -0.715 0.000 1.016 348 V CB -0.453 30.697 31.823 -1.123 0.000 0.650 348 V HN 0.271 nan 8.190 nan 0.000 0.449 349 L N 0.736 121.649 121.223 -0.516 0.000 2.051 349 L HA -0.282 4.058 4.340 -0.000 0.000 0.214 349 L C 2.571 179.121 176.870 -0.533 0.000 1.076 349 L CA 2.199 56.681 54.840 -0.596 0.000 0.758 349 L CB -0.832 40.704 42.059 -0.873 0.000 0.890 349 L HN 0.477 nan 8.230 nan 0.000 0.433 350 N N -0.231 118.284 118.700 -0.310 0.000 2.142 350 N HA -0.272 4.468 4.740 -0.000 0.000 0.186 350 N C 2.048 177.466 175.510 -0.154 0.000 1.023 350 N CA 1.737 54.720 53.050 -0.111 0.000 0.852 350 N CB -0.159 38.259 38.487 -0.115 0.000 0.998 350 N HN 0.430 nan 8.380 nan 0.000 0.424 351 Y N 1.646 121.768 120.300 -0.298 0.000 2.242 351 Y HA -0.069 4.481 4.550 -0.000 0.000 0.291 351 Y C 2.291 178.021 175.900 -0.284 0.000 1.137 351 Y CA 1.981 59.887 58.100 -0.324 0.000 1.181 351 Y CB -0.747 37.524 38.460 -0.314 0.000 0.989 351 Y HN -0.019 nan 8.280 nan 0.000 0.527 352 T N 1.126 115.422 114.554 -0.430 0.000 2.708 352 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 352 T C 1.720 176.185 174.700 -0.392 0.000 1.037 352 T CA 1.933 63.774 62.100 -0.431 0.000 1.146 352 T CB -0.160 68.590 68.868 -0.197 0.000 0.865 352 T HN 0.288 nan 8.240 nan 0.000 0.435 353 M N 1.348 120.765 119.600 -0.306 0.000 2.394 353 M HA 0.103 4.583 4.480 -0.000 0.000 0.266 353 M C 2.623 178.813 176.300 -0.183 0.000 1.098 353 M CA 1.263 56.448 55.300 -0.193 0.000 1.149 353 M CB -1.668 30.904 32.600 -0.047 0.000 1.369 353 M HN 0.445 nan 8.290 nan 0.000 0.450 354 T N -2.825 111.603 114.554 -0.210 0.000 3.037 354 T HA 0.175 4.525 4.350 -0.000 0.000 0.252 354 T C 1.659 176.167 174.700 -0.320 0.000 1.073 354 T CA 0.411 62.386 62.100 -0.208 0.000 1.091 354 T CB -0.109 68.676 68.868 -0.139 0.000 0.935 354 T HN 0.081 nan 8.240 nan 0.000 0.488 355 V N 1.110 120.740 119.914 -0.473 0.000 2.854 355 V HA 0.435 4.555 4.120 -0.000 0.000 0.236 355 V C 3.121 178.919 176.094 -0.494 0.000 1.157 355 V CA 0.698 62.689 62.300 -0.515 0.000 1.187 355 V CB -0.854 30.508 31.823 -0.767 0.000 0.949 355 V HN 0.506 nan 8.190 nan 0.000 0.488 356 A N 0.141 122.505 122.820 -0.760 0.000 1.933 356 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 356 A C 2.041 179.448 177.584 -0.295 0.000 1.175 356 A CA 1.709 53.422 52.037 -0.541 0.000 0.628 356 A CB -0.616 18.032 19.000 -0.587 0.000 0.814 356 A HN 0.385 nan 8.150 nan 0.000 0.444 357 L N -0.146 120.896 121.223 -0.302 0.000 2.447 357 L HA -0.064 4.276 4.340 -0.000 0.000 0.225 357 L C 2.084 178.831 176.870 -0.206 0.000 1.148 357 L CA 1.421 56.130 54.840 -0.218 0.000 0.808 357 L CB -0.738 41.196 42.059 -0.208 0.000 0.928 357 L HN 0.372 nan 8.230 nan 0.000 0.448 358 R N -0.774 119.569 120.500 -0.261 0.000 2.310 358 R HA 0.414 4.754 4.340 -0.000 0.000 0.202 358 R C 0.543 176.761 176.300 -0.136 0.000 0.933 358 R CA 0.497 56.422 56.100 -0.292 0.000 1.054 358 R CB 0.110 30.011 30.300 -0.666 0.000 0.985 358 R HN 0.349 nan 8.270 nan 0.000 0.489 359 G N -0.621 108.147 108.800 -0.054 0.000 2.465 359 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.681 359 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.681 359 G C -0.379 174.581 174.900 0.100 0.000 1.340 359 G CA -0.618 44.509 45.100 0.045 0.000 0.884 359 G HN 0.089 nan 8.290 nan 0.000 0.650 360 Y N 0.650 120.969 120.300 0.032 0.000 2.053 360 Y HA -0.197 4.353 4.550 -0.000 0.000 0.277 360 Y C 2.522 178.469 175.900 0.078 0.000 1.159 360 Y CA 2.902 61.033 58.100 0.050 0.000 1.125 360 Y CB 0.039 38.526 38.460 0.046 0.000 0.969 360 Y HN 0.609 nan 8.280 nan 0.000 0.492 361 D N -0.820 119.654 120.400 0.124 0.000 2.078 361 D HA -0.259 4.381 4.640 -0.000 0.000 0.193 361 D C 2.013 178.311 176.300 -0.004 0.000 0.990 361 D CA 1.858 55.886 54.000 0.046 0.000 0.827 361 D CB -1.107 39.776 40.800 0.139 0.000 0.975 361 D HN 0.496 nan 8.370 nan 0.000 0.451 362 Y N 1.456 121.735 120.300 -0.036 0.000 2.173 362 Y HA -0.326 4.224 4.550 -0.000 0.000 0.282 362 Y C 2.210 178.066 175.900 -0.072 0.000 1.192 362 Y CA 2.116 60.189 58.100 -0.045 0.000 1.176 362 Y CB -0.164 38.263 38.460 -0.055 0.000 0.969 362 Y HN -0.016 nan 8.280 nan 0.000 0.519 363 A N -0.805 122.029 122.820 0.023 0.000 2.119 363 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 363 A C 2.033 179.528 177.584 -0.149 0.000 1.152 363 A CA 1.141 53.167 52.037 -0.019 0.000 0.708 363 A CB -0.310 18.653 19.000 -0.063 0.000 0.805 363 A HN 0.596 nan 8.150 nan 0.000 0.460 364 Q N -0.475 119.161 119.800 -0.275 0.000 2.123 364 Q HA -0.178 4.162 4.340 -0.000 0.000 0.196 364 Q C 2.326 178.240 176.000 -0.142 0.000 0.958 364 Q CA 1.401 57.037 55.803 -0.278 0.000 0.841 364 Q CB -0.205 28.390 28.738 -0.238 0.000 0.915 364 Q HN 0.988 nan 8.270 nan 0.000 0.455 365 Q N 0.104 119.829 119.800 -0.124 0.000 2.062 365 Q HA -0.275 4.065 4.340 -0.000 0.000 0.209 365 Q C 1.928 177.816 176.000 -0.187 0.000 0.996 365 Q CA 2.141 57.872 55.803 -0.120 0.000 0.859 365 Q CB -1.076 27.529 28.738 -0.221 0.000 0.920 365 Q HN 0.387 nan 8.270 nan 0.000 0.415 366 Y N 1.217 121.280 120.300 -0.396 0.000 2.128 366 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 366 Y C 1.902 177.590 175.900 -0.353 0.000 1.154 366 Y CA 1.890 59.784 58.100 -0.343 0.000 1.149 366 Y CB -0.190 38.113 38.460 -0.262 0.000 0.976 366 Y HN 0.140 nan 8.280 nan 0.000 0.505 367 L N -1.185 119.773 121.223 -0.442 0.000 1.971 367 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 367 L C 2.339 178.820 176.870 -0.649 0.000 1.072 367 L CA 1.870 56.191 54.840 -0.865 0.000 0.758 367 L CB -1.116 39.901 42.059 -1.736 0.000 0.889 367 L HN 0.248 nan 8.230 nan 0.000 0.433 368 Y N -0.095 120.011 120.300 -0.324 0.000 2.165 368 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 368 Y C 2.834 178.598 175.900 -0.228 0.000 1.155 368 Y CA 1.564 59.577 58.100 -0.145 0.000 1.164 368 Y CB -0.670 37.750 38.460 -0.068 0.000 0.978 368 Y HN 0.065 nan 8.280 nan 0.000 0.513 369 R N 0.140 120.556 120.500 -0.140 0.000 2.117 369 R HA -0.235 4.105 4.340 -0.000 0.000 0.243 369 R C 2.410 178.497 176.300 -0.356 0.000 1.143 369 R CA 1.746 57.707 56.100 -0.232 0.000 0.968 369 R CB -0.428 29.700 30.300 -0.287 0.000 0.863 369 R HN 0.437 nan 8.270 nan 0.000 0.444 370 M N -0.381 118.875 119.600 -0.573 0.000 2.132 370 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 370 M C 1.672 177.651 176.300 -0.537 0.000 1.065 370 M CA 1.639 56.503 55.300 -0.726 0.000 1.122 370 M CB 0.018 32.084 32.600 -0.890 0.000 1.365 370 M HN 0.262 nan 8.290 nan 0.000 0.411 371 L N -0.349 120.688 121.223 -0.309 0.000 2.093 371 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 371 L C 2.614 179.411 176.870 -0.122 0.000 1.085 371 L CA 1.214 55.959 54.840 -0.158 0.000 0.755 371 L CB -1.235 40.760 42.059 -0.107 0.000 0.904 371 L HN 0.488 nan 8.230 nan 0.000 0.435 372 G N -0.229 108.481 108.800 -0.150 0.000 2.469 372 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 372 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 372 G C 1.770 176.669 174.900 -0.001 0.000 1.136 372 G CA 0.544 45.600 45.100 -0.072 0.000 0.759 372 G HN 0.295 nan 8.290 nan 0.000 0.562 373 R N -1.146 119.316 120.500 -0.063 0.000 2.119 373 R HA 0.103 4.443 4.340 -0.000 0.000 0.222 373 R C 2.283 178.710 176.300 0.212 0.000 1.088 373 R CA 0.658 56.779 56.100 0.035 0.000 0.984 373 R CB -0.277 29.980 30.300 -0.072 0.000 0.884 373 R HN 0.550 nan 8.270 nan 0.000 0.447 374 Y N 0.103 120.409 120.300 0.010 0.000 2.263 374 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 374 Y C 2.553 178.462 175.900 0.015 0.000 1.130 374 Y CA 0.473 58.578 58.100 0.008 0.000 1.179 374 Y CB 0.087 38.528 38.460 -0.032 0.000 0.998 374 Y HN 0.017 nan 8.280 nan 0.000 0.532 375 R N -0.610 119.997 120.500 0.178 0.000 2.066 375 R HA -0.213 4.127 4.340 -0.000 0.000 0.232 375 R C 2.114 178.470 176.300 0.093 0.000 1.131 375 R CA 1.756 57.913 56.100 0.095 0.000 0.955 375 R CB -0.701 29.641 30.300 0.071 0.000 0.851 375 R HN 0.377 nan 8.270 nan 0.000 0.432 376 Y N 1.768 122.088 120.300 0.034 0.000 2.165 376 Y HA -0.346 4.204 4.550 -0.000 0.000 0.286 376 Y C 2.769 178.697 175.900 0.046 0.000 1.155 376 Y CA 2.058 60.179 58.100 0.035 0.000 1.164 376 Y CB -0.018 38.467 38.460 0.041 0.000 0.978 376 Y HN 0.139 nan 8.280 nan 0.000 0.513 377 Q N -0.103 119.776 119.800 0.131 0.000 2.079 377 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 377 Q C 2.314 178.302 176.000 -0.020 0.000 0.974 377 Q CA 1.345 57.186 55.803 0.064 0.000 0.840 377 Q CB -0.311 28.522 28.738 0.158 0.000 0.898 377 Q HN 0.555 nan 8.270 nan 0.000 0.430 378 A N 1.098 123.918 122.820 -0.000 0.000 1.877 378 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 378 A C 2.333 179.890 177.584 -0.045 0.000 1.186 378 A CA 1.720 53.743 52.037 -0.023 0.000 0.620 378 A CB -1.010 17.977 19.000 -0.022 0.000 0.822 378 A HN 0.562 nan 8.150 nan 0.000 0.443 379 A N -0.449 122.323 122.820 -0.080 0.000 2.024 379 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 379 A C 2.113 179.651 177.584 -0.077 0.000 1.164 379 A CA 1.381 53.392 52.037 -0.042 0.000 0.643 379 A CB -0.550 18.374 19.000 -0.127 0.000 0.806 379 A HN 0.491 nan 8.150 nan 0.000 0.451 380 L N -0.280 120.833 121.223 -0.184 0.000 2.083 380 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 380 L C 2.884 179.706 176.870 -0.080 0.000 1.083 380 L CA 1.795 56.531 54.840 -0.173 0.000 0.752 380 L CB -0.406 41.525 42.059 -0.213 0.000 0.899 380 L HN 0.717 nan 8.230 nan 0.000 0.433 381 E N 0.469 120.633 120.200 -0.061 0.000 2.057 381 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 381 E C 0.746 177.331 176.600 -0.026 0.000 0.959 381 E CA 1.196 57.569 56.400 -0.044 0.000 0.828 381 E CB -0.167 29.499 29.700 -0.056 0.000 0.800 381 E HN 0.398 nan 8.360 nan 0.000 0.460 382 N N 0.000 118.689 118.700 -0.019 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667