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 2cke_1_C DATA FIRST_RESID 2 DATA SEQUENCE EPFKQQKVED FYDIGEELGS GQFAIVKKCR EKSTGLEYAA KFIKKRQSRA DATA SEQUENCE SRRGVSREEI EREVSILRQV LHHNVITLHD VYENRTDVVL ILELVSGGEL DATA SEQUENCE FDFLAQKESL SEEEATSFIK QILDGVNYLH TKKIAHFDLK PENIMLLDKN DATA SEQUENCE IPIPHIKLID FGLAHEIEDG VEFKNIFGTP EFVAPEIVNY EPLGLEADMW DATA SEQUENCE SIGVITYILL SGASPFLGDT KQETLANITS VSYDFDEEFF SHTSELAKDF DATA SEQUENCE IRKLLVKETR KRLTIQEALR HPWITPVDNQ QAMVRRESVV NLENFRKQYV 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 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2 E C 0.000 176.562 176.600 -0.064 0.000 1.382 2 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 2 E CB 0.000 29.666 29.700 -0.057 0.000 0.812 3 P HA 0.349 4.769 4.420 -0.000 0.000 0.281 3 P C -0.296 176.993 177.300 -0.018 0.000 1.249 3 P CA -0.109 62.885 63.100 -0.175 0.000 0.810 3 P CB 0.185 31.797 31.700 -0.146 0.000 1.008 4 F N 0.432 120.308 119.950 -0.122 0.000 2.418 4 F HA 0.188 4.714 4.527 -0.002 0.000 0.341 4 F C 1.456 177.141 175.800 -0.191 0.000 1.120 4 F CA -0.959 56.943 58.000 -0.162 0.000 1.232 4 F CB 0.715 39.649 39.000 -0.111 0.000 1.175 4 F HN 0.015 8.315 8.300 -0.000 0.000 0.569 5 K N 2.347 122.668 120.400 -0.132 0.000 2.368 5 K HA 0.043 4.363 4.320 -0.002 0.000 0.282 5 K C 0.309 176.881 176.600 -0.046 0.000 1.035 5 K CA -0.070 56.065 56.287 -0.253 0.000 0.973 5 K CB 0.901 32.953 32.500 -0.747 0.000 0.957 5 K HN 0.700 8.950 8.250 -0.000 0.000 0.474 6 Q N 1.602 121.413 119.800 0.020 0.000 2.392 6 Q HA -0.036 4.303 4.340 -0.002 0.000 0.203 6 Q C -0.225 175.865 176.000 0.150 0.000 0.917 6 Q CA 0.278 56.134 55.803 0.089 0.000 0.939 6 Q CB 0.446 29.219 28.738 0.058 0.000 1.063 6 Q HN 0.470 8.740 8.270 -0.000 0.000 0.516 7 Q N 1.287 121.203 119.800 0.193 0.000 2.394 7 Q HA 0.115 4.454 4.340 -0.002 0.000 0.248 7 Q C -0.629 175.583 176.000 0.354 0.000 0.992 7 Q CA 0.345 56.325 55.803 0.295 0.000 0.888 7 Q CB 0.572 29.556 28.738 0.410 0.000 1.257 7 Q HN -0.057 8.213 8.270 -0.000 0.000 0.462 8 K N 0.768 121.341 120.400 0.288 0.000 2.379 8 K HA 0.023 4.342 4.320 -0.002 0.000 0.284 8 K C 0.667 177.374 176.600 0.179 0.000 1.044 8 K CA -0.211 56.199 56.287 0.204 0.000 0.974 8 K CB 0.842 33.430 32.500 0.148 0.000 0.962 8 K HN 0.400 8.650 8.250 -0.000 0.000 0.474 9 V N 3.745 123.651 119.914 -0.014 0.000 2.594 9 V HA -0.251 3.868 4.120 -0.002 0.000 0.253 9 V C 1.212 177.345 176.094 0.065 0.000 1.069 9 V CA 1.979 64.116 62.300 -0.271 0.000 1.082 9 V CB -0.288 31.251 31.823 -0.473 0.000 0.680 9 V HN 0.756 8.946 8.190 -0.000 0.000 0.469 10 E N -0.232 120.031 120.200 0.104 0.000 2.204 10 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 10 E C 1.769 178.415 176.600 0.076 0.000 0.989 10 E CA 1.315 57.783 56.400 0.113 0.000 0.824 10 E CB -0.354 29.399 29.700 0.088 0.000 0.756 10 E HN 0.577 8.937 8.360 -0.000 0.000 0.477 11 D N -0.679 119.758 120.400 0.061 0.000 2.312 11 D HA -0.062 4.577 4.640 -0.002 0.000 0.211 11 D C 0.699 176.810 176.300 -0.315 0.000 0.964 11 D CA 0.793 54.729 54.000 -0.107 0.000 0.877 11 D CB 0.063 40.786 40.800 -0.129 0.000 0.924 11 D HN 0.232 8.602 8.370 -0.000 0.000 0.515 12 F N -1.644 118.302 119.950 -0.007 0.000 2.727 12 F HA 0.203 4.729 4.527 -0.002 0.000 0.302 12 F C -0.009 175.606 175.800 -0.309 0.000 1.107 12 F CA -0.186 57.746 58.000 -0.114 0.000 1.277 12 F CB 0.617 39.583 39.000 -0.057 0.000 1.079 12 F HN -0.230 8.070 8.300 -0.000 0.000 0.594 13 Y N 0.201 120.553 120.300 0.086 0.000 2.442 13 Y HA 0.322 4.871 4.550 -0.002 0.000 0.344 13 Y C -0.546 175.384 175.900 0.050 0.000 0.976 13 Y CA -1.704 56.435 58.100 0.064 0.000 1.040 13 Y CB 1.071 39.546 38.460 0.026 0.000 1.228 13 Y HN -0.224 8.056 8.280 -0.000 0.000 0.451 14 D N 4.077 124.589 120.400 0.188 0.000 2.352 14 D HA 0.186 4.825 4.640 -0.002 0.000 0.245 14 D C -0.180 176.218 176.300 0.164 0.000 1.224 14 D CA 0.216 54.297 54.000 0.134 0.000 0.879 14 D CB 0.861 41.715 40.800 0.089 0.000 1.057 14 D HN 0.277 8.647 8.370 -0.000 0.000 0.491 15 I N 2.163 122.821 120.570 0.146 0.000 2.395 15 I HA 0.318 4.487 4.170 -0.002 0.000 0.289 15 I C 1.246 177.421 176.117 0.097 0.000 1.023 15 I CA -0.124 61.263 61.300 0.145 0.000 1.350 15 I CB 1.066 39.164 38.000 0.163 0.000 1.409 15 I HN 0.314 8.524 8.210 -0.000 0.000 0.507 16 G N 5.014 113.870 108.800 0.094 0.000 3.264 16 G HA2 0.245 4.204 3.960 -0.002 0.000 0.168 16 G HA3 0.245 4.204 3.960 -0.002 0.000 0.168 16 G C -0.482 174.451 174.900 0.055 0.000 1.145 16 G CA -0.375 44.764 45.100 0.065 0.000 0.855 16 G HN 0.540 8.830 8.290 -0.000 0.000 0.629 17 E N 0.590 120.818 120.200 0.047 0.000 2.452 17 E HA 0.101 4.451 4.350 -0.002 0.000 0.261 17 E C 0.205 176.831 176.600 0.044 0.000 0.987 17 E CA 0.064 56.487 56.400 0.038 0.000 0.926 17 E CB 0.497 30.218 29.700 0.035 0.000 0.934 17 E HN 0.354 8.714 8.360 -0.000 0.000 0.452 18 E N 3.148 123.367 120.200 0.033 0.000 2.392 18 E HA -0.037 4.312 4.350 -0.002 0.000 0.264 18 E C 0.029 176.654 176.600 0.042 0.000 1.024 18 E CA -0.352 56.070 56.400 0.037 0.000 0.903 18 E CB 0.592 30.303 29.700 0.019 0.000 0.963 18 E HN 0.465 8.825 8.360 -0.000 0.000 0.432 19 L N 2.767 124.021 121.223 0.051 0.000 2.547 19 L HA 0.412 4.751 4.340 -0.002 0.000 0.218 19 L C 0.783 177.679 176.870 0.044 0.000 1.048 19 L CA 1.048 55.917 54.840 0.049 0.000 0.859 19 L CB 0.374 42.466 42.059 0.056 0.000 1.128 19 L HN 0.657 8.887 8.230 -0.000 0.000 0.483 20 G N -1.879 106.949 108.800 0.047 0.000 2.576 20 G HA2 0.522 4.481 3.960 -0.002 0.000 0.290 20 G HA3 0.522 4.481 3.960 -0.002 0.000 0.290 20 G C -1.653 173.270 174.900 0.038 0.000 1.442 20 G CA 0.013 45.136 45.100 0.038 0.000 0.792 20 G HN -0.078 8.212 8.290 -0.000 0.000 0.491 21 S N -1.317 114.397 115.700 0.024 0.000 2.560 21 S HA 0.850 5.319 4.470 -0.002 0.000 0.283 21 S C -0.483 174.113 174.600 -0.007 0.000 1.141 21 S CA 0.608 58.817 58.200 0.015 0.000 0.902 21 S CB 1.249 64.453 63.200 0.007 0.000 1.104 21 S HN 2.554 10.864 8.310 -0.000 0.000 0.454 22 G N 2.487 111.273 108.800 -0.024 0.000 2.404 22 G HA2 0.462 4.421 3.960 -0.002 0.000 0.298 22 G HA3 0.462 4.421 3.960 -0.002 0.000 0.298 22 G C -0.598 174.229 174.900 -0.121 0.000 1.577 22 G CA 0.189 45.249 45.100 -0.066 0.000 0.847 22 G HN 0.935 9.225 8.290 -0.000 0.000 0.598 23 Q N -0.921 118.726 119.800 -0.256 0.000 1.885 23 Q HA -0.288 4.051 4.340 -0.002 0.000 0.356 23 Q C 0.602 176.114 176.000 -0.815 0.000 0.719 23 Q CA 2.554 58.019 55.803 -0.564 0.000 0.957 23 Q CB -1.114 27.485 28.738 -0.232 0.000 2.506 23 Q HN 1.099 9.369 8.270 -0.000 0.000 0.741 24 F N 0.607 120.580 119.950 0.040 0.000 2.815 24 F HA 0.691 5.217 4.527 -0.002 0.000 0.335 24 F C 0.253 176.085 175.800 0.053 0.000 1.179 24 F CA 0.272 58.297 58.000 0.042 0.000 1.204 24 F CB 1.426 40.451 39.000 0.041 0.000 1.050 24 F HN 0.434 8.734 8.300 -0.000 0.000 0.510 25 A N 0.698 123.608 122.820 0.150 0.000 2.422 25 A HA 0.845 5.164 4.320 -0.002 0.000 0.302 25 A C -1.317 176.332 177.584 0.109 0.000 1.041 25 A CA -0.449 51.674 52.037 0.143 0.000 0.708 25 A CB 1.150 20.227 19.000 0.128 0.000 1.257 25 A HN 0.129 8.279 8.150 -0.000 0.000 0.414 26 I N 2.096 122.755 120.570 0.147 0.000 2.410 26 I HA 0.384 4.553 4.170 -0.002 0.000 0.286 26 I C -0.322 175.914 176.117 0.199 0.000 1.009 26 I CA -0.317 61.055 61.300 0.121 0.000 1.111 26 I CB 1.914 39.944 38.000 0.050 0.000 1.262 26 I HN 0.354 8.564 8.210 -0.000 0.000 0.443 27 V N 6.832 126.830 119.914 0.141 0.000 2.465 27 V HA 0.505 4.624 4.120 -0.002 0.000 0.279 27 V C 0.119 176.299 176.094 0.144 0.000 1.045 27 V CA -0.656 61.733 62.300 0.148 0.000 0.938 27 V CB 1.224 33.104 31.823 0.095 0.000 0.986 27 V HN 0.610 8.800 8.190 -0.000 0.000 0.467 28 K N 2.947 123.457 120.400 0.184 0.000 2.477 28 K HA 0.501 4.820 4.320 -0.002 0.000 0.255 28 K C -0.843 175.835 176.600 0.130 0.000 0.952 28 K CA -0.996 55.383 56.287 0.154 0.000 0.826 28 K CB 2.618 35.238 32.500 0.199 0.000 1.331 28 K HN 0.473 8.723 8.250 -0.000 0.000 0.437 29 K N 1.534 121.995 120.400 0.102 0.000 2.350 29 K HA 0.202 4.521 4.320 -0.002 0.000 0.279 29 K C -0.299 176.374 176.600 0.121 0.000 1.027 29 K CA -0.127 56.217 56.287 0.096 0.000 0.969 29 K CB 0.267 32.811 32.500 0.072 0.000 0.954 29 K HN 0.739 8.989 8.250 -0.000 0.000 0.474 30 C N 1.241 120.627 119.300 0.143 0.000 3.241 30 C HA 0.720 5.179 4.460 -0.002 0.000 0.312 30 C C -1.141 174.019 174.990 0.284 0.000 1.350 30 C CA -1.242 57.896 59.018 0.200 0.000 1.415 30 C CB 1.763 29.599 27.740 0.160 0.000 1.770 30 C HN 0.995 9.225 8.230 -0.000 0.000 0.466 31 R N 0.953 121.659 120.500 0.344 0.000 2.538 31 R HA 0.449 4.788 4.340 -0.002 0.000 0.292 31 R C -0.908 175.564 176.300 0.287 0.000 1.008 31 R CA -0.085 56.200 56.100 0.309 0.000 0.896 31 R CB 1.591 31.983 30.300 0.153 0.000 1.187 31 R HN 0.977 9.247 8.270 -0.000 0.000 0.440 32 E N 3.140 123.469 120.200 0.215 0.000 2.299 32 E HA 0.002 4.351 4.350 -0.002 0.000 0.272 32 E C 0.254 176.787 176.600 -0.113 0.000 1.043 32 E CA 0.126 56.351 56.400 -0.292 0.000 0.895 32 E CB 0.916 30.508 29.700 -0.179 0.000 1.011 32 E HN 0.478 8.838 8.360 -0.000 0.000 0.432 33 K N 1.648 121.956 120.400 -0.154 0.000 2.103 33 K HA -0.163 4.156 4.320 -0.002 0.000 0.207 33 K C 2.010 178.588 176.600 -0.036 0.000 1.048 33 K CA 1.642 57.890 56.287 -0.066 0.000 0.930 33 K CB -0.002 32.448 32.500 -0.084 0.000 0.716 33 K HN 0.512 8.762 8.250 -0.000 0.000 0.444 34 S N 0.037 115.718 115.700 -0.030 0.000 2.428 34 S HA -0.100 4.369 4.470 -0.002 0.000 0.230 34 S C 1.982 176.597 174.600 0.025 0.000 1.014 34 S CA 1.428 59.633 58.200 0.009 0.000 0.957 34 S CB -0.300 62.926 63.200 0.043 0.000 0.784 34 S HN 0.410 8.720 8.310 -0.000 0.000 0.499 35 T N -3.969 110.607 114.554 0.036 0.000 2.969 35 T HA 0.533 4.882 4.350 -0.002 0.000 0.250 35 T C 1.657 176.382 174.700 0.042 0.000 1.021 35 T CA 0.662 62.794 62.100 0.053 0.000 1.003 35 T CB -0.094 68.831 68.868 0.095 0.000 1.040 35 T HN 1.156 9.396 8.240 -0.000 0.000 0.492 36 G N 1.640 110.465 108.800 0.041 0.000 2.162 36 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.260 36 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.260 36 G C -0.076 174.842 174.900 0.030 0.000 0.976 36 G CA 0.302 45.421 45.100 0.032 0.000 0.655 36 G HN 0.640 8.930 8.290 -0.000 0.000 0.533 37 L N 0.599 121.854 121.223 0.053 0.000 2.350 37 L HA 0.480 4.819 4.340 -0.002 0.000 0.275 37 L C 0.670 177.508 176.870 -0.054 0.000 1.099 37 L CA -0.609 54.209 54.840 -0.037 0.000 0.808 37 L CB 1.031 43.052 42.059 -0.063 0.000 1.149 37 L HN 0.178 8.408 8.230 -0.000 0.000 0.442 38 E N 2.098 122.167 120.200 -0.219 0.000 2.249 38 E HA 0.406 4.755 4.350 -0.002 0.000 0.280 38 E C -1.493 174.859 176.600 -0.413 0.000 1.016 38 E CA -0.290 56.026 56.400 -0.139 0.000 0.830 38 E CB 1.386 31.038 29.700 -0.082 0.000 1.081 38 E HN 0.302 8.662 8.360 -0.000 0.000 0.395 39 Y N -0.163 120.170 120.300 0.056 0.000 2.698 39 Y HA 0.596 5.145 4.550 -0.001 0.000 0.332 39 Y C -0.318 175.592 175.900 0.016 0.000 1.119 39 Y CA -1.126 56.989 58.100 0.025 0.000 1.109 39 Y CB 1.609 40.093 38.460 0.041 0.000 1.308 39 Y HN 0.516 8.796 8.280 -0.000 0.000 0.499 40 A N 0.601 123.528 122.820 0.178 0.000 2.318 40 A HA 0.824 5.143 4.320 -0.002 0.000 0.324 40 A C -1.149 176.448 177.584 0.022 0.000 1.170 40 A CA -0.531 51.561 52.037 0.092 0.000 0.810 40 A CB 0.346 19.391 19.000 0.076 0.000 1.198 40 A HN 0.799 8.949 8.150 -0.000 0.000 0.484 41 A N 2.613 125.419 122.820 -0.023 0.000 2.256 41 A HA 0.559 4.878 4.320 -0.002 0.000 0.317 41 A C 0.034 177.534 177.584 -0.141 0.000 1.318 41 A CA -0.533 51.381 52.037 -0.204 0.000 0.894 41 A CB 0.132 18.934 19.000 -0.330 0.000 1.165 41 A HN 0.754 8.904 8.150 -0.000 0.000 0.525 42 K N 3.688 123.989 120.400 -0.165 0.000 2.231 42 K HA 0.362 4.681 4.320 -0.002 0.000 0.275 42 K C -1.462 175.070 176.600 -0.114 0.000 1.105 42 K CA -0.253 56.007 56.287 -0.046 0.000 0.931 42 K CB -0.067 32.423 32.500 -0.016 0.000 1.296 42 K HN 0.507 8.757 8.250 -0.000 0.000 0.446 43 F N 5.560 125.505 119.950 -0.008 0.000 2.466 43 F HA 0.231 4.757 4.527 -0.002 0.000 0.363 43 F C 0.420 176.234 175.800 0.023 0.000 1.109 43 F CA -0.342 57.657 58.000 -0.001 0.000 1.161 43 F CB 0.365 39.367 39.000 0.004 0.000 1.117 43 F HN 0.262 8.562 8.300 -0.000 0.000 0.539 44 I N 4.029 124.683 120.570 0.140 0.000 2.312 44 I HA 0.192 4.361 4.170 -0.002 0.000 0.290 44 I C 0.042 176.238 176.117 0.131 0.000 1.008 44 I CA -1.174 60.203 61.300 0.129 0.000 1.226 44 I CB 1.374 39.417 38.000 0.071 0.000 1.371 44 I HN 0.359 8.569 8.210 -0.000 0.000 0.468 45 K N 7.162 127.654 120.400 0.154 0.000 2.416 45 K HA 0.138 4.457 4.320 -0.002 0.000 0.283 45 K C -0.380 176.257 176.600 0.061 0.000 1.037 45 K CA 0.090 56.450 56.287 0.121 0.000 0.995 45 K CB 0.451 33.043 32.500 0.153 0.000 0.938 45 K HN 0.362 8.612 8.250 -0.000 0.000 0.475 46 K N 3.752 124.180 120.400 0.047 0.000 2.218 46 K HA 0.126 4.445 4.320 -0.002 0.000 0.276 46 K C -0.014 176.575 176.600 -0.019 0.000 1.022 46 K CA -0.531 55.766 56.287 0.018 0.000 0.946 46 K CB 0.963 33.486 32.500 0.039 0.000 1.000 46 K HN 0.515 8.765 8.250 -0.000 0.000 0.468 47 R N 2.282 122.750 120.500 -0.053 0.000 2.401 47 R HA -0.040 4.299 4.340 -0.002 0.000 0.299 47 R C 0.875 177.155 176.300 -0.034 0.000 1.064 47 R CA 0.372 56.426 56.100 -0.076 0.000 1.000 47 R CB 0.485 30.723 30.300 -0.104 0.000 0.973 47 R HN 0.645 8.915 8.270 -0.000 0.000 0.438 48 Q N 1.043 120.827 119.800 -0.026 0.000 2.172 48 Q HA 0.014 4.354 4.340 -0.002 0.000 0.200 48 Q C 0.031 176.025 176.000 -0.010 0.000 0.964 48 Q CA 0.810 56.607 55.803 -0.009 0.000 0.855 48 Q CB 0.372 29.109 28.738 -0.002 0.000 0.918 48 Q HN 0.523 8.793 8.270 -0.000 0.000 0.444 49 S N -2.602 113.087 115.700 -0.018 0.000 2.683 49 S HA 0.266 4.735 4.470 -0.002 0.000 0.269 49 S C 0.024 174.612 174.600 -0.020 0.000 1.165 49 S CA -0.882 57.309 58.200 -0.014 0.000 0.840 49 S CB 0.948 64.144 63.200 -0.008 0.000 1.169 49 S HN 0.075 8.385 8.310 -0.000 0.000 0.490 50 R N 0.921 121.412 120.500 -0.014 0.000 2.148 50 R HA -0.169 4.170 4.340 -0.002 0.000 0.230 50 R C 2.044 178.333 176.300 -0.018 0.000 1.120 50 R CA 1.926 58.018 56.100 -0.014 0.000 0.902 50 R CB -0.751 29.545 30.300 -0.008 0.000 0.839 50 R HN 0.645 8.915 8.270 -0.000 0.000 0.431 51 A N 0.973 123.785 122.820 -0.013 0.000 2.167 51 A HA 0.054 4.373 4.320 -0.002 0.000 0.214 51 A C 0.596 178.172 177.584 -0.013 0.000 1.151 51 A CA 0.003 52.033 52.037 -0.011 0.000 0.735 51 A CB -0.031 18.966 19.000 -0.005 0.000 0.802 51 A HN 0.248 8.398 8.150 -0.000 0.000 0.467 52 S N -0.071 115.618 115.700 -0.019 0.000 2.643 52 S HA -0.051 4.418 4.470 -0.002 0.000 0.310 52 S C 1.300 175.886 174.600 -0.024 0.000 1.253 52 S CA 0.177 58.365 58.200 -0.020 0.000 1.047 52 S CB 0.524 63.706 63.200 -0.030 0.000 0.767 52 S HN 0.630 8.940 8.310 -0.000 0.000 0.498 53 R N 2.536 123.039 120.500 0.005 0.000 2.061 53 R HA -0.003 4.336 4.340 -0.002 0.000 0.230 53 R C 0.426 176.760 176.300 0.057 0.000 1.140 53 R CA 1.074 57.198 56.100 0.040 0.000 0.940 53 R CB 0.098 30.433 30.300 0.059 0.000 0.839 53 R HN 0.564 8.834 8.270 -0.000 0.000 0.429 54 R N -0.709 119.822 120.500 0.052 0.000 2.500 54 R HA 0.429 4.768 4.340 -0.002 0.000 0.277 54 R C -0.437 175.751 176.300 -0.188 0.000 1.026 54 R CA 0.238 56.386 56.100 0.080 0.000 1.058 54 R CB 1.606 31.994 30.300 0.147 0.000 1.078 54 R HN 0.461 8.731 8.270 -0.000 0.000 0.509 55 G N -0.021 108.500 108.800 -0.465 0.000 2.697 55 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.686 55 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.686 55 G C -0.992 173.537 174.900 -0.618 0.000 1.179 55 G CA -1.051 43.807 45.100 -0.403 0.000 0.765 55 G HN 0.398 8.688 8.290 -0.000 0.000 0.649 56 V N 1.818 121.533 119.914 -0.331 0.000 2.567 56 V HA 0.666 4.785 4.120 -0.002 0.000 0.289 56 V C 1.384 177.415 176.094 -0.106 0.000 1.049 56 V CA 0.203 62.380 62.300 -0.206 0.000 0.969 56 V CB 1.463 33.258 31.823 -0.046 0.000 0.995 56 V HN 1.679 9.869 8.190 -0.000 0.000 0.471 57 S N 4.112 119.766 115.700 -0.077 0.000 2.600 57 S HA 0.227 4.696 4.470 -0.002 0.000 0.265 57 S C 1.016 175.618 174.600 0.003 0.000 1.325 57 S CA -0.245 57.934 58.200 -0.035 0.000 1.002 57 S CB 1.023 64.209 63.200 -0.022 0.000 0.921 57 S HN 0.656 8.966 8.310 -0.000 0.000 0.554 58 R N 0.927 121.435 120.500 0.013 0.000 2.091 58 R HA -0.099 4.240 4.340 -0.002 0.000 0.238 58 R C 2.195 178.518 176.300 0.039 0.000 1.136 58 R CA 2.131 58.251 56.100 0.034 0.000 0.959 58 R CB -1.039 29.272 30.300 0.019 0.000 0.856 58 R HN 0.898 9.168 8.270 -0.000 0.000 0.437 59 E N 0.605 120.821 120.200 0.026 0.000 2.077 59 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 59 E C 1.543 178.166 176.600 0.040 0.000 0.989 59 E CA 1.537 57.954 56.400 0.029 0.000 0.800 59 E CB 0.013 29.731 29.700 0.030 0.000 0.746 59 E HN 0.542 8.902 8.360 -0.000 0.000 0.452 60 E N 0.052 120.278 120.200 0.043 0.000 2.150 60 E HA -0.118 4.231 4.350 -0.002 0.000 0.193 60 E C 2.247 178.876 176.600 0.049 0.000 0.985 60 E CA 0.722 57.152 56.400 0.050 0.000 0.814 60 E CB 0.015 29.742 29.700 0.046 0.000 0.752 60 E HN 0.352 8.712 8.360 -0.000 0.000 0.466 61 I N 1.066 121.669 120.570 0.056 0.000 2.233 61 I HA -0.208 3.961 4.170 -0.002 0.000 0.243 61 I C 2.158 178.333 176.117 0.096 0.000 1.093 61 I CA 1.041 62.381 61.300 0.066 0.000 1.380 61 I CB -0.181 37.867 38.000 0.080 0.000 1.067 61 I HN 0.046 8.256 8.210 -0.000 0.000 0.413 62 E N 0.612 120.889 120.200 0.129 0.000 2.118 62 E HA -0.253 4.096 4.350 -0.002 0.000 0.195 62 E C 2.286 178.925 176.600 0.064 0.000 0.992 62 E CA 0.890 57.376 56.400 0.143 0.000 0.804 62 E CB -0.130 29.614 29.700 0.074 0.000 0.741 62 E HN 0.306 8.665 8.360 -0.000 0.000 0.458 63 R N 1.033 121.550 120.500 0.028 0.000 2.091 63 R HA -0.216 4.124 4.340 -0.002 0.000 0.238 63 R C 2.239 178.531 176.300 -0.013 0.000 1.136 63 R CA 1.760 57.850 56.100 -0.017 0.000 0.959 63 R CB -0.065 30.221 30.300 -0.023 0.000 0.856 63 R HN 0.199 8.469 8.270 -0.000 0.000 0.437 64 E N -0.404 119.805 120.200 0.015 0.000 2.047 64 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 64 E C 1.906 178.497 176.600 -0.016 0.000 0.987 64 E CA 1.315 57.725 56.400 0.017 0.000 0.799 64 E CB 0.126 29.846 29.700 0.035 0.000 0.752 64 E HN 0.151 8.511 8.360 -0.000 0.000 0.449 65 V N 0.680 120.588 119.914 -0.010 0.000 2.343 65 V HA -0.246 3.873 4.120 -0.002 0.000 0.247 65 V C 2.491 178.573 176.094 -0.021 0.000 1.051 65 V CA 1.817 64.098 62.300 -0.031 0.000 1.036 65 V CB -0.592 31.226 31.823 -0.009 0.000 0.654 65 V HN 0.328 8.518 8.190 -0.000 0.000 0.451 66 S N -0.327 115.374 115.700 0.002 0.000 2.374 66 S HA -0.198 4.271 4.470 -0.002 0.000 0.227 66 S C 1.900 176.466 174.600 -0.056 0.000 1.037 66 S CA 2.005 60.193 58.200 -0.020 0.000 1.024 66 S CB -0.326 62.858 63.200 -0.027 0.000 0.861 66 S HN 0.524 8.834 8.310 -0.000 0.000 0.456 67 I N 0.855 121.381 120.570 -0.074 0.000 2.233 67 I HA -0.132 4.037 4.170 -0.002 0.000 0.243 67 I C 2.299 178.310 176.117 -0.177 0.000 1.093 67 I CA 0.943 62.180 61.300 -0.105 0.000 1.380 67 I CB -0.412 37.543 38.000 -0.075 0.000 1.067 67 I HN 0.288 8.498 8.210 -0.000 0.000 0.413 68 L N 0.385 121.474 121.223 -0.224 0.000 2.089 68 L HA -0.273 4.067 4.340 -0.002 0.000 0.213 68 L C 2.730 179.507 176.870 -0.154 0.000 1.079 68 L CA 1.591 56.269 54.840 -0.271 0.000 0.758 68 L CB -0.524 41.414 42.059 -0.203 0.000 0.891 68 L HN 0.208 8.438 8.230 -0.000 0.000 0.433 69 R N -0.723 119.719 120.500 -0.097 0.000 2.148 69 R HA -0.138 4.201 4.340 -0.002 0.000 0.223 69 R C 2.208 178.485 176.300 -0.037 0.000 1.088 69 R CA 0.979 57.045 56.100 -0.056 0.000 0.985 69 R CB -0.088 30.190 30.300 -0.038 0.000 0.880 69 R HN 0.508 8.778 8.270 -0.000 0.000 0.451 70 Q N 0.122 119.896 119.800 -0.044 0.000 2.311 70 Q HA -0.001 4.338 4.340 -0.002 0.000 0.203 70 Q C 0.379 176.406 176.000 0.046 0.000 0.954 70 Q CA 0.547 56.342 55.803 -0.014 0.000 0.885 70 Q CB 0.534 29.249 28.738 -0.039 0.000 0.963 70 Q HN 0.152 8.422 8.270 -0.000 0.000 0.471 71 V N -0.238 119.695 119.914 0.033 0.000 2.364 71 V HA 0.480 4.599 4.120 -0.002 0.000 0.272 71 V C -0.692 175.466 176.094 0.107 0.000 1.036 71 V CA -0.817 61.587 62.300 0.173 0.000 0.880 71 V CB 1.027 32.880 31.823 0.051 0.000 0.991 71 V HN 0.010 8.200 8.190 -0.000 0.000 0.460 72 L N 5.883 127.191 121.223 0.141 0.000 2.454 72 L HA 0.643 4.982 4.340 -0.002 0.000 0.258 72 L C -0.749 175.955 176.870 -0.276 0.000 1.025 72 L CA 0.118 54.941 54.840 -0.028 0.000 0.901 72 L CB 0.607 42.682 42.059 0.027 0.000 1.210 72 L HN 0.983 9.213 8.230 -0.000 0.000 0.457 73 H N 1.983 120.777 119.070 -0.460 0.000 2.961 73 H HA 0.324 4.879 4.556 -0.001 0.000 0.371 73 H C 0.139 175.260 175.328 -0.344 0.000 1.190 73 H CA -0.330 55.333 56.048 -0.642 0.000 1.138 73 H CB 1.711 30.816 29.762 -1.095 0.000 1.816 73 H HN 0.754 9.034 8.280 -0.000 0.000 0.551 74 H N 2.245 120.915 119.070 -0.667 0.000 2.491 74 H HA -0.017 4.538 4.556 -0.001 0.000 0.290 74 H C 0.048 175.313 175.328 -0.107 0.000 1.050 74 H CA 0.949 56.793 56.048 -0.339 0.000 1.309 74 H CB 0.099 29.636 29.762 -0.375 0.000 1.392 74 H HN 0.437 8.717 8.280 -0.000 0.000 0.554 75 N N 0.391 119.042 118.700 -0.082 0.000 2.230 75 N HA 0.167 4.906 4.740 -0.002 0.000 0.202 75 N C -0.846 174.742 175.510 0.129 0.000 1.119 75 N CA -0.169 52.946 53.050 0.109 0.000 0.851 75 N CB 1.217 39.788 38.487 0.140 0.000 0.990 75 N HN -0.020 8.360 8.380 -0.000 0.000 0.497 76 V N 1.350 121.337 119.914 0.121 0.000 2.495 76 V HA 0.307 4.426 4.120 -0.002 0.000 0.298 76 V C 0.202 176.366 176.094 0.116 0.000 1.031 76 V CA -1.132 61.267 62.300 0.165 0.000 0.871 76 V CB 2.338 34.263 31.823 0.170 0.000 0.988 76 V HN 0.135 8.325 8.190 -0.000 0.000 0.432 77 I N 4.268 124.941 120.570 0.171 0.000 2.815 77 I HA 0.150 4.320 4.170 -0.002 0.000 0.291 77 I C 0.587 176.730 176.117 0.044 0.000 1.209 77 I CA 0.658 62.029 61.300 0.119 0.000 1.431 77 I CB 1.037 39.142 38.000 0.176 0.000 1.351 77 I HN 0.940 9.150 8.210 -0.000 0.000 0.585 78 T N 6.047 120.626 114.554 0.041 0.000 2.823 78 T HA 0.443 4.792 4.350 -0.002 0.000 0.279 78 T C -0.495 174.234 174.700 0.050 0.000 0.998 78 T CA -0.888 61.226 62.100 0.024 0.000 0.994 78 T CB 1.708 70.597 68.868 0.034 0.000 0.960 78 T HN 0.438 8.678 8.240 -0.000 0.000 0.448 79 L N 2.662 123.895 121.223 0.016 0.000 2.305 79 L HA 0.407 4.746 4.340 -0.002 0.000 0.281 79 L C 1.003 177.916 176.870 0.071 0.000 1.085 79 L CA 0.031 54.881 54.840 0.017 0.000 0.813 79 L CB 0.729 42.757 42.059 -0.051 0.000 1.157 79 L HN 0.924 9.154 8.230 -0.000 0.000 0.436 80 H N 2.438 121.480 119.070 -0.046 0.000 2.361 80 H HA 0.311 4.866 4.556 -0.001 0.000 0.308 80 H C -0.182 175.070 175.328 -0.127 0.000 1.053 80 H CA 1.100 57.094 56.048 -0.091 0.000 1.377 80 H CB 0.562 30.164 29.762 -0.265 0.000 1.434 80 H HN 0.746 9.026 8.280 -0.000 0.000 0.548 81 D N -1.538 118.723 120.400 -0.232 0.000 2.713 81 D HA 0.331 4.970 4.640 -0.002 0.000 0.306 81 D C -1.625 174.524 176.300 -0.251 0.000 1.299 81 D CA -0.374 53.441 54.000 -0.307 0.000 0.823 81 D CB 1.827 42.395 40.800 -0.386 0.000 1.353 81 D HN -0.039 8.331 8.370 -0.000 0.000 0.447 82 V N 1.799 121.514 119.914 -0.332 0.000 2.668 82 V HA 0.476 4.595 4.120 -0.002 0.000 0.304 82 V C -1.146 174.687 176.094 -0.435 0.000 1.071 82 V CA -0.634 61.428 62.300 -0.396 0.000 0.894 82 V CB 1.468 32.928 31.823 -0.605 0.000 1.008 82 V HN 0.469 8.659 8.190 -0.000 0.000 0.425 83 Y N 1.787 121.900 120.300 -0.310 0.000 2.587 83 Y HA 0.750 5.299 4.550 -0.002 0.000 0.337 83 Y C 0.239 176.061 175.900 -0.131 0.000 1.065 83 Y CA -0.735 57.261 58.100 -0.173 0.000 1.126 83 Y CB 2.005 40.372 38.460 -0.155 0.000 1.279 83 Y HN 0.634 8.914 8.280 -0.000 0.000 0.489 84 E N 0.863 121.160 120.200 0.160 0.000 2.366 84 E HA 0.370 4.720 4.350 -0.002 0.000 0.278 84 E C -1.696 174.993 176.600 0.149 0.000 0.923 84 E CA -0.647 55.841 56.400 0.147 0.000 0.761 84 E CB 2.111 31.945 29.700 0.223 0.000 1.231 84 E HN 0.844 9.204 8.360 -0.000 0.000 0.443 85 N N 0.758 119.534 118.700 0.128 0.000 3.479 85 N HA 0.334 5.073 4.740 -0.002 0.000 0.336 85 N C 0.479 176.045 175.510 0.093 0.000 1.623 85 N CA -0.640 52.478 53.050 0.113 0.000 0.759 85 N CB 0.607 39.166 38.487 0.119 0.000 2.016 85 N HN 0.276 8.656 8.380 -0.000 0.000 0.637 86 R N -1.104 119.443 120.500 0.079 0.000 2.083 86 R HA -0.106 4.233 4.340 -0.002 0.000 0.237 86 R C 1.497 177.835 176.300 0.064 0.000 1.137 86 R CA 2.719 58.857 56.100 0.063 0.000 0.951 86 R CB -0.657 29.675 30.300 0.053 0.000 0.851 86 R HN 0.860 9.130 8.270 -0.000 0.000 0.434 87 T N -2.371 112.227 114.554 0.073 0.000 3.004 87 T HA 0.065 4.414 4.350 -0.002 0.000 0.243 87 T C 0.524 175.276 174.700 0.087 0.000 1.020 87 T CA 0.153 62.296 62.100 0.072 0.000 1.145 87 T CB 0.217 69.126 68.868 0.068 0.000 0.876 87 T HN -0.065 8.175 8.240 -0.000 0.000 0.449 88 D N 0.445 120.913 120.400 0.113 0.000 2.414 88 D HA 0.658 5.297 4.640 -0.002 0.000 0.241 88 D C -1.118 175.240 176.300 0.097 0.000 1.008 88 D CA -0.601 53.476 54.000 0.129 0.000 1.001 88 D CB 2.372 43.305 40.800 0.222 0.000 1.277 88 D HN 0.096 8.466 8.370 -0.000 0.000 0.538 89 V N 0.871 120.819 119.914 0.057 0.000 2.487 89 V HA 0.327 4.446 4.120 -0.002 0.000 0.298 89 V C -0.288 175.736 176.094 -0.117 0.000 1.028 89 V CA -0.778 61.504 62.300 -0.031 0.000 0.860 89 V CB 1.931 33.716 31.823 -0.062 0.000 0.991 89 V HN 0.274 8.464 8.190 -0.000 0.000 0.427 90 V N 6.298 126.089 119.914 -0.204 0.000 2.313 90 V HA 0.386 4.505 4.120 -0.002 0.000 0.278 90 V C -0.351 175.544 176.094 -0.332 0.000 1.017 90 V CA -0.565 61.505 62.300 -0.384 0.000 0.823 90 V CB 1.249 32.714 31.823 -0.597 0.000 1.010 90 V HN 0.574 8.764 8.190 -0.000 0.000 0.443 91 L N 6.351 127.394 121.223 -0.300 0.000 2.278 91 L HA 0.367 4.706 4.340 -0.002 0.000 0.287 91 L C 0.110 176.845 176.870 -0.224 0.000 1.072 91 L CA 0.194 54.889 54.840 -0.241 0.000 0.819 91 L CB 0.702 42.659 42.059 -0.170 0.000 1.176 91 L HN 0.388 8.618 8.230 -0.000 0.000 0.435 92 I N 5.790 126.235 120.570 -0.208 0.000 2.337 92 I HA 0.280 4.449 4.170 -0.002 0.000 0.291 92 I C 0.104 176.203 176.117 -0.029 0.000 1.046 92 I CA -0.083 61.105 61.300 -0.186 0.000 1.324 92 I CB 0.408 38.239 38.000 -0.283 0.000 1.409 92 I HN 0.433 8.643 8.210 -0.000 0.000 0.494 93 L N 4.664 125.921 121.223 0.057 0.000 2.341 93 L HA 0.413 4.752 4.340 -0.002 0.000 0.267 93 L C 0.592 177.604 176.870 0.236 0.000 1.009 93 L CA -0.958 53.957 54.840 0.124 0.000 0.819 93 L CB 1.940 44.041 42.059 0.070 0.000 1.323 93 L HN 0.544 8.774 8.230 -0.000 0.000 0.425 94 E N 1.881 122.202 120.200 0.202 0.000 2.765 94 E HA -0.076 4.273 4.350 -0.002 0.000 0.256 94 E C -0.777 175.863 176.600 0.067 0.000 0.935 94 E CA -0.443 56.033 56.400 0.127 0.000 0.954 94 E CB 0.682 30.428 29.700 0.076 0.000 0.908 94 E HN 0.339 8.699 8.360 -0.000 0.000 0.500 95 L N 6.146 127.363 121.223 -0.010 0.000 2.369 95 L HA 0.152 4.491 4.340 -0.002 0.000 0.279 95 L C -1.078 175.788 176.870 -0.007 0.000 1.108 95 L CA -0.066 54.769 54.840 -0.009 0.000 0.852 95 L CB 1.059 43.083 42.059 -0.059 0.000 1.169 95 L HN 0.366 8.596 8.230 -0.000 0.000 0.452 96 V N 5.060 124.987 119.914 0.021 0.000 2.275 96 V HA 0.291 4.410 4.120 -0.002 0.000 0.272 96 V C 0.777 176.885 176.094 0.023 0.000 1.028 96 V CA 0.243 62.556 62.300 0.023 0.000 0.810 96 V CB 0.579 32.426 31.823 0.040 0.000 1.043 96 V HN 0.932 9.122 8.190 -0.000 0.000 0.453 97 S N 1.614 117.321 115.700 0.013 0.000 2.557 97 S HA 0.111 4.580 4.470 -0.002 0.000 0.223 97 S C 1.684 176.296 174.600 0.020 0.000 0.969 97 S CA 0.350 58.560 58.200 0.017 0.000 0.927 97 S CB 0.736 63.941 63.200 0.009 0.000 0.806 97 S HN 0.746 9.056 8.310 -0.000 0.000 0.489 98 G N 1.121 109.929 108.800 0.014 0.000 2.744 98 G HA2 0.470 4.429 3.960 -0.002 0.000 0.211 98 G HA3 0.470 4.429 3.960 -0.002 0.000 0.211 98 G C 0.909 175.824 174.900 0.026 0.000 1.143 98 G CA 0.134 45.238 45.100 0.006 0.000 0.788 98 G HN 1.113 9.403 8.290 -0.000 0.000 0.534 99 G N -0.384 108.438 108.800 0.037 0.000 2.627 99 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.214 99 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.214 99 G C -0.506 174.425 174.900 0.051 0.000 1.331 99 G CA -0.439 44.694 45.100 0.056 0.000 0.891 99 G HN 0.429 8.719 8.290 -0.000 0.000 0.539 100 E N -0.413 119.829 120.200 0.070 0.000 2.319 100 E HA 0.444 4.793 4.350 -0.002 0.000 0.268 100 E C 1.367 178.023 176.600 0.093 0.000 1.050 100 E CA -0.587 55.849 56.400 0.059 0.000 0.878 100 E CB 1.653 31.391 29.700 0.064 0.000 1.066 100 E HN 0.527 8.887 8.360 -0.000 0.000 0.406 101 L N 2.311 123.578 121.223 0.074 0.000 2.017 101 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 101 L C 1.572 178.614 176.870 0.287 0.000 1.073 101 L CA 1.852 56.761 54.840 0.115 0.000 0.745 101 L CB -0.433 41.677 42.059 0.084 0.000 0.894 101 L HN 0.578 8.808 8.230 -0.000 0.000 0.432 102 F N 0.469 120.462 119.950 0.071 0.000 2.269 102 F HA -0.142 4.384 4.527 -0.002 0.000 0.301 102 F C 2.188 177.968 175.800 -0.033 0.000 1.082 102 F CA 1.182 59.284 58.000 0.170 0.000 1.360 102 F CB -1.162 37.963 39.000 0.207 0.000 1.041 102 F HN 0.263 8.563 8.300 -0.000 0.000 0.512 103 D N -0.870 119.597 120.400 0.110 0.000 2.149 103 D HA -0.170 4.469 4.640 -0.002 0.000 0.201 103 D C 2.091 178.361 176.300 -0.050 0.000 0.972 103 D CA 0.837 54.771 54.000 -0.110 0.000 0.835 103 D CB -0.534 40.320 40.800 0.091 0.000 0.966 103 D HN 0.239 8.609 8.370 -0.000 0.000 0.476 104 F N 0.923 120.828 119.950 -0.075 0.000 2.113 104 F HA -0.085 4.441 4.527 -0.002 0.000 0.297 104 F C 1.822 177.540 175.800 -0.137 0.000 1.103 104 F CA 1.100 59.044 58.000 -0.093 0.000 1.248 104 F CB -0.084 38.856 39.000 -0.099 0.000 0.999 104 F HN -0.112 8.188 8.300 -0.000 0.000 0.475 105 L N 0.292 121.406 121.223 -0.181 0.000 2.079 105 L HA -0.218 4.122 4.340 -0.002 0.000 0.210 105 L C 2.542 179.232 176.870 -0.300 0.000 1.081 105 L CA 1.098 55.720 54.840 -0.364 0.000 0.752 105 L CB -1.087 40.697 42.059 -0.458 0.000 0.896 105 L HN 0.271 8.501 8.230 -0.000 0.000 0.433 106 A N -1.204 121.526 122.820 -0.151 0.000 2.239 106 A HA -0.075 4.245 4.320 -0.002 0.000 0.209 106 A C 1.915 179.394 177.584 -0.176 0.000 1.171 106 A CA 0.676 52.633 52.037 -0.134 0.000 0.768 106 A CB -0.139 18.594 19.000 -0.445 0.000 0.790 106 A HN 0.458 8.608 8.150 -0.000 0.000 0.478 107 Q N -0.237 119.405 119.800 -0.263 0.000 2.280 107 Q HA 0.120 4.459 4.340 -0.002 0.000 0.228 107 Q C -0.094 175.752 176.000 -0.256 0.000 0.857 107 Q CA 0.187 55.852 55.803 -0.230 0.000 0.939 107 Q CB 0.464 29.057 28.738 -0.243 0.000 1.114 107 Q HN 0.595 8.865 8.270 -0.000 0.000 0.514 108 K N 1.108 121.308 120.400 -0.333 0.000 2.219 108 K HA 0.072 4.391 4.320 -0.002 0.000 0.258 108 K C 0.815 177.315 176.600 -0.167 0.000 1.008 108 K CA -0.027 56.095 56.287 -0.274 0.000 0.928 108 K CB 0.758 33.075 32.500 -0.305 0.000 0.983 108 K HN 0.008 8.258 8.250 -0.000 0.000 0.484 109 E N 0.328 120.453 120.200 -0.125 0.000 2.046 109 E HA -0.112 4.237 4.350 -0.002 0.000 0.190 109 E C 0.455 176.997 176.600 -0.096 0.000 0.982 109 E CA 0.927 57.273 56.400 -0.090 0.000 0.800 109 E CB 0.206 29.866 29.700 -0.067 0.000 0.756 109 E HN 0.603 8.963 8.360 -0.000 0.000 0.449 110 S N -0.673 114.964 115.700 -0.104 0.000 2.638 110 S HA 0.599 5.069 4.470 -0.002 0.000 0.274 110 S C -1.630 172.901 174.600 -0.115 0.000 1.157 110 S CA -1.106 57.028 58.200 -0.111 0.000 0.826 110 S CB 1.782 64.928 63.200 -0.091 0.000 1.139 110 S HN 0.053 8.363 8.310 -0.000 0.000 0.474 111 L N 2.276 123.427 121.223 -0.120 0.000 2.541 111 L HA 0.619 4.958 4.340 -0.002 0.000 0.266 111 L C -0.164 176.661 176.870 -0.074 0.000 0.966 111 L CA 0.070 54.850 54.840 -0.099 0.000 0.871 111 L CB 1.825 43.784 42.059 -0.166 0.000 1.232 111 L HN 1.058 9.288 8.230 -0.000 0.000 0.408 112 S N 2.046 117.723 115.700 -0.038 0.000 2.614 112 S HA 0.324 4.793 4.470 -0.002 0.000 0.265 112 S C 0.780 175.385 174.600 0.008 0.000 1.303 112 S CA -0.302 57.886 58.200 -0.019 0.000 1.000 112 S CB 0.982 64.170 63.200 -0.020 0.000 0.935 112 S HN 0.727 9.037 8.310 -0.000 0.000 0.551 113 E N 0.408 120.641 120.200 0.054 0.000 2.204 113 E HA -0.177 4.172 4.350 -0.002 0.000 0.194 113 E C 1.855 178.424 176.600 -0.053 0.000 0.989 113 E CA 1.021 57.497 56.400 0.127 0.000 0.824 113 E CB -0.090 29.813 29.700 0.338 0.000 0.756 113 E HN 0.881 9.241 8.360 -0.000 0.000 0.477 114 E N 1.391 121.546 120.200 -0.075 0.000 2.038 114 E HA -0.255 4.094 4.350 -0.002 0.000 0.195 114 E C 1.781 178.284 176.600 -0.161 0.000 1.000 114 E CA 1.263 57.572 56.400 -0.152 0.000 0.803 114 E CB 0.108 29.746 29.700 -0.102 0.000 0.750 114 E HN 0.254 8.614 8.360 -0.000 0.000 0.448 115 E N 0.041 120.190 120.200 -0.085 0.000 2.051 115 E HA -0.215 4.134 4.350 -0.002 0.000 0.192 115 E C 2.055 178.676 176.600 0.034 0.000 0.991 115 E CA 0.951 57.320 56.400 -0.051 0.000 0.799 115 E CB -0.186 29.547 29.700 0.055 0.000 0.748 115 E HN 0.372 8.732 8.360 -0.000 0.000 0.449 116 A N 1.104 123.960 122.820 0.059 0.000 1.917 116 A HA -0.253 4.066 4.320 -0.002 0.000 0.219 116 A C 2.465 180.026 177.584 -0.038 0.000 1.182 116 A CA 2.456 54.559 52.037 0.109 0.000 0.633 116 A CB -1.234 17.838 19.000 0.120 0.000 0.819 116 A HN 0.448 8.598 8.150 -0.000 0.000 0.448 117 T N -1.694 112.651 114.554 -0.348 0.000 2.904 117 T HA -0.136 4.213 4.350 -0.002 0.000 0.267 117 T C 2.038 176.541 174.700 -0.328 0.000 1.059 117 T CA 1.794 63.543 62.100 -0.585 0.000 1.137 117 T CB -0.828 67.474 68.868 -0.943 0.000 0.879 117 T HN 0.728 8.968 8.240 -0.000 0.000 0.467 118 S N 1.404 116.929 115.700 -0.291 0.000 2.368 118 S HA -0.076 4.393 4.470 -0.002 0.000 0.225 118 S C 1.768 176.187 174.600 -0.301 0.000 1.030 118 S CA 0.829 58.834 58.200 -0.325 0.000 0.999 118 S CB -1.226 61.715 63.200 -0.433 0.000 0.844 118 S HN 0.535 8.845 8.310 -0.000 0.000 0.459 119 F N 1.583 121.487 119.950 -0.077 0.000 2.146 119 F HA 0.177 4.703 4.527 -0.001 0.000 0.298 119 F C 2.352 178.149 175.800 -0.006 0.000 1.096 119 F CA 0.889 58.874 58.000 -0.025 0.000 1.275 119 F CB -0.400 38.609 39.000 0.015 0.000 1.008 119 F HN 0.161 8.461 8.300 -0.000 0.000 0.480 120 I N 0.127 120.782 120.570 0.141 0.000 2.315 120 I HA -0.294 3.875 4.170 -0.002 0.000 0.248 120 I C 2.429 178.573 176.117 0.045 0.000 1.117 120 I CA 1.327 62.687 61.300 0.099 0.000 1.404 120 I CB -0.402 37.625 38.000 0.046 0.000 1.071 120 I HN 0.078 8.288 8.210 -0.000 0.000 0.419 121 K N 0.917 121.297 120.400 -0.034 0.000 2.097 121 K HA -0.221 4.098 4.320 -0.002 0.000 0.206 121 K C 2.126 178.748 176.600 0.036 0.000 1.049 121 K CA 1.377 57.652 56.287 -0.021 0.000 0.933 121 K CB 0.012 32.468 32.500 -0.073 0.000 0.717 121 K HN 0.339 8.589 8.250 -0.000 0.000 0.442 122 Q N 0.213 120.044 119.800 0.051 0.000 2.084 122 Q HA -0.157 4.183 4.340 -0.002 0.000 0.202 122 Q C 2.131 178.185 176.000 0.091 0.000 0.978 122 Q CA 1.704 57.567 55.803 0.100 0.000 0.844 122 Q CB -0.109 28.700 28.738 0.117 0.000 0.898 122 Q HN 0.406 8.676 8.270 -0.000 0.000 0.426 123 I N 0.524 121.144 120.570 0.082 0.000 2.202 123 I HA -0.294 3.875 4.170 -0.002 0.000 0.242 123 I C 2.187 178.316 176.117 0.020 0.000 1.091 123 I CA 1.042 62.372 61.300 0.051 0.000 1.368 123 I CB -0.273 37.769 38.000 0.070 0.000 1.058 123 I HN 0.192 8.402 8.210 -0.000 0.000 0.410 124 L N 0.322 121.573 121.223 0.046 0.000 2.079 124 L HA -0.268 4.071 4.340 -0.002 0.000 0.210 124 L C 2.205 179.072 176.870 -0.005 0.000 1.081 124 L CA 1.290 56.149 54.840 0.031 0.000 0.752 124 L CB -0.771 41.336 42.059 0.080 0.000 0.896 124 L HN 0.301 8.531 8.230 -0.000 0.000 0.433 125 D N 0.066 120.480 120.400 0.024 0.000 2.084 125 D HA -0.144 4.495 4.640 -0.002 0.000 0.194 125 D C 2.118 178.332 176.300 -0.144 0.000 0.990 125 D CA 1.670 55.683 54.000 0.023 0.000 0.826 125 D CB -0.418 40.474 40.800 0.153 0.000 0.971 125 D HN 0.358 8.728 8.370 -0.000 0.000 0.453 126 G N 0.839 109.557 108.800 -0.137 0.000 2.421 126 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.216 126 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.216 126 G C 1.910 176.728 174.900 -0.136 0.000 1.171 126 G CA 0.823 45.783 45.100 -0.234 0.000 0.775 126 G HN 0.225 8.515 8.290 -0.000 0.000 0.543 127 V N 1.526 121.363 119.914 -0.128 0.000 2.332 127 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 127 V C 2.620 178.548 176.094 -0.276 0.000 1.055 127 V CA 2.162 64.329 62.300 -0.222 0.000 1.038 127 V CB -0.612 31.024 31.823 -0.312 0.000 0.651 127 V HN 0.500 8.690 8.190 -0.000 0.000 0.450 128 N N -0.452 118.140 118.700 -0.180 0.000 2.149 128 N HA -0.250 4.489 4.740 -0.002 0.000 0.188 128 N C 1.781 177.277 175.510 -0.023 0.000 1.019 128 N CA 1.836 54.838 53.050 -0.079 0.000 0.857 128 N CB -0.402 38.073 38.487 -0.021 0.000 0.997 128 N HN 0.593 8.973 8.380 -0.000 0.000 0.426 129 Y N 0.775 120.942 120.300 -0.222 0.000 2.145 129 Y HA -0.095 4.454 4.550 -0.001 0.000 0.286 129 Y C 1.922 177.780 175.900 -0.071 0.000 1.145 129 Y CA 1.641 59.612 58.100 -0.214 0.000 1.148 129 Y CB -0.360 37.781 38.460 -0.532 0.000 0.981 129 Y HN 0.098 8.378 8.280 -0.000 0.000 0.507 130 L N -0.968 120.265 121.223 0.018 0.000 2.046 130 L HA -0.269 4.070 4.340 -0.002 0.000 0.208 130 L C 2.460 179.377 176.870 0.078 0.000 1.077 130 L CA 1.731 56.605 54.840 0.056 0.000 0.747 130 L CB -0.837 41.354 42.059 0.220 0.000 0.896 130 L HN 0.365 8.595 8.230 -0.000 0.000 0.432 131 H N -0.936 118.092 119.070 -0.070 0.000 2.423 131 H HA -0.105 4.450 4.556 -0.001 0.000 0.297 131 H C 2.241 177.521 175.328 -0.079 0.000 1.075 131 H CA 1.329 57.340 56.048 -0.063 0.000 1.342 131 H CB 0.207 29.951 29.762 -0.030 0.000 1.395 131 H HN 0.316 8.596 8.280 -0.000 0.000 0.530 132 T N 0.934 115.501 114.554 0.022 0.000 2.833 132 T HA -0.095 4.254 4.350 -0.002 0.000 0.269 132 T C 1.545 176.185 174.700 -0.100 0.000 1.054 132 T CA 1.105 63.178 62.100 -0.045 0.000 1.135 132 T CB -0.043 68.782 68.868 -0.071 0.000 0.869 132 T HN 0.347 8.587 8.240 -0.000 0.000 0.466 133 K N 0.969 121.272 120.400 -0.161 0.000 2.437 133 K HA 0.163 4.482 4.320 -0.002 0.000 0.198 133 K C 0.009 176.543 176.600 -0.110 0.000 1.024 133 K CA -0.065 56.123 56.287 -0.165 0.000 1.148 133 K CB 0.203 32.551 32.500 -0.254 0.000 0.860 133 K HN 0.214 8.464 8.250 -0.000 0.000 0.515 134 K N 1.029 121.374 120.400 -0.092 0.000 3.257 134 K HA -0.190 4.129 4.320 -0.002 0.000 0.270 134 K C -0.687 175.850 176.600 -0.106 0.000 0.984 134 K CA 0.733 56.959 56.287 -0.102 0.000 0.739 134 K CB -1.678 30.774 32.500 -0.080 0.000 1.351 134 K HN 0.323 8.573 8.250 -0.000 0.000 0.463 135 I N 0.595 121.110 120.570 -0.091 0.000 2.418 135 I HA 0.370 4.539 4.170 -0.002 0.000 0.287 135 I C 0.269 176.342 176.117 -0.074 0.000 1.008 135 I CA -0.721 60.542 61.300 -0.061 0.000 1.104 135 I CB 1.884 39.890 38.000 0.009 0.000 1.264 135 I HN 0.214 8.424 8.210 -0.000 0.000 0.438 136 A N 4.853 127.543 122.820 -0.217 0.000 2.301 136 A HA 0.324 4.643 4.320 -0.002 0.000 0.312 136 A C 0.606 178.027 177.584 -0.272 0.000 1.182 136 A CA -0.367 51.421 52.037 -0.415 0.000 0.826 136 A CB 0.529 18.871 19.000 -1.097 0.000 1.134 136 A HN 0.893 9.043 8.150 -0.000 0.000 0.501 137 H N 1.786 120.726 119.070 -0.218 0.000 2.384 137 H HA -0.059 4.496 4.556 -0.001 0.000 0.300 137 H C -0.065 175.247 175.328 -0.026 0.000 1.057 137 H CA 1.858 57.817 56.048 -0.149 0.000 1.370 137 H CB -0.025 29.623 29.762 -0.190 0.000 1.417 137 H HN 0.776 9.056 8.280 -0.000 0.000 0.527 138 F N 0.097 120.162 119.950 0.191 0.000 2.953 138 F HA -0.218 4.308 4.527 -0.001 0.000 0.292 138 F C 0.258 176.174 175.800 0.193 0.000 0.747 138 F CA 1.353 59.472 58.000 0.198 0.000 1.222 138 F CB -1.675 37.334 39.000 0.014 0.000 1.457 138 F HN 0.329 8.629 8.300 -0.000 0.000 0.383 139 D N 0.127 120.793 120.400 0.444 0.000 2.881 139 D HA 0.255 4.894 4.640 -0.002 0.000 0.325 139 D C -0.143 176.303 176.300 0.244 0.000 1.621 139 D CA -0.045 54.143 54.000 0.313 0.000 0.785 139 D CB 0.026 40.903 40.800 0.127 0.000 1.233 139 D HN 0.118 8.488 8.370 -0.000 0.000 0.447 140 L N 2.112 123.433 121.223 0.163 0.000 2.500 140 L HA 0.240 4.579 4.340 -0.002 0.000 0.272 140 L C 0.501 177.274 176.870 -0.161 0.000 1.149 140 L CA 0.625 55.404 54.840 -0.103 0.000 0.897 140 L CB 0.124 42.136 42.059 -0.077 0.000 1.178 140 L HN 0.067 8.297 8.230 -0.000 0.000 0.473 141 K N 2.376 122.581 120.400 -0.325 0.000 2.597 141 K HA 0.421 4.740 4.320 -0.002 0.000 0.282 141 K C -2.791 173.489 176.600 -0.533 0.000 0.975 141 K CA -1.612 54.274 56.287 -0.668 0.000 0.867 141 K CB 1.318 33.220 32.500 -0.997 0.000 1.465 141 K HN -0.135 8.115 8.250 -0.000 0.000 0.417 142 P HA -0.298 4.122 4.420 -0.000 0.000 0.216 142 P C 0.862 177.913 177.300 -0.414 0.000 1.154 142 P CA 1.857 64.529 63.100 -0.714 0.000 0.865 142 P CB 0.076 31.148 31.700 -1.046 0.000 0.789 143 E N -1.395 118.630 120.200 -0.293 0.000 2.427 143 E HA -0.094 4.255 4.350 -0.002 0.000 0.196 143 E C 0.928 177.462 176.600 -0.109 0.000 1.028 143 E CA 0.608 56.920 56.400 -0.146 0.000 0.864 143 E CB -0.690 28.960 29.700 -0.084 0.000 0.813 143 E HN 0.159 8.519 8.360 -0.000 0.000 0.514 144 N N 0.643 119.255 118.700 -0.147 0.000 2.270 144 N HA 0.203 4.942 4.740 -0.002 0.000 0.198 144 N C -0.514 174.929 175.510 -0.111 0.000 1.117 144 N CA 0.239 53.231 53.050 -0.096 0.000 0.845 144 N CB 0.564 39.004 38.487 -0.078 0.000 0.980 144 N HN 0.262 8.642 8.380 -0.000 0.000 0.486 145 I N 1.341 121.832 120.570 -0.131 0.000 2.371 145 I HA 0.265 4.434 4.170 -0.002 0.000 0.282 145 I C -0.104 175.987 176.117 -0.043 0.000 1.031 145 I CA -0.157 61.089 61.300 -0.090 0.000 1.180 145 I CB 0.741 38.672 38.000 -0.115 0.000 1.336 145 I HN -0.269 7.941 8.210 -0.000 0.000 0.467 146 M N 6.007 125.605 119.600 -0.004 0.000 2.762 146 M HA 0.610 5.089 4.480 -0.002 0.000 0.306 146 M C -0.582 175.731 176.300 0.023 0.000 1.223 146 M CA -0.746 54.563 55.300 0.014 0.000 0.896 146 M CB 2.431 35.047 32.600 0.026 0.000 1.684 146 M HN 0.334 8.624 8.290 -0.000 0.000 0.491 147 L N 0.999 122.228 121.223 0.010 0.000 2.334 147 L HA 0.413 4.752 4.340 -0.002 0.000 0.273 147 L C 1.031 177.903 176.870 0.004 0.000 1.013 147 L CA -0.570 54.265 54.840 -0.009 0.000 0.816 147 L CB 1.902 43.907 42.059 -0.089 0.000 1.278 147 L HN 0.682 8.912 8.230 -0.000 0.000 0.431 148 L N 0.357 121.593 121.223 0.021 0.000 1.982 148 L HA 0.007 4.346 4.340 -0.002 0.000 0.206 148 L C 0.366 177.237 176.870 0.002 0.000 1.078 148 L CA 1.442 56.295 54.840 0.022 0.000 0.749 148 L CB 0.072 42.159 42.059 0.046 0.000 0.894 148 L HN 0.662 8.892 8.230 -0.000 0.000 0.436 149 D N -0.894 119.503 120.400 -0.005 0.000 2.502 149 D HA 0.111 4.750 4.640 -0.002 0.000 0.249 149 D C 0.153 176.404 176.300 -0.081 0.000 1.092 149 D CA -0.392 53.595 54.000 -0.021 0.000 0.839 149 D CB 1.565 42.367 40.800 0.002 0.000 1.264 149 D HN 0.131 8.501 8.370 -0.000 0.000 0.511 150 K N 1.966 122.328 120.400 -0.064 0.000 2.404 150 K HA 0.131 4.450 4.320 -0.002 0.000 0.194 150 K C -0.121 176.490 176.600 0.020 0.000 1.023 150 K CA -0.056 56.174 56.287 -0.096 0.000 1.094 150 K CB 0.268 32.788 32.500 0.033 0.000 0.841 150 K HN 0.025 8.275 8.250 -0.000 0.000 0.523 151 N N 2.094 120.806 118.700 0.020 0.000 2.558 151 N HA 0.216 4.955 4.740 -0.002 0.000 0.281 151 N C -0.428 175.102 175.510 0.033 0.000 1.219 151 N CA -0.153 52.928 53.050 0.051 0.000 0.942 151 N CB 0.295 38.806 38.487 0.040 0.000 1.241 151 N HN 0.506 8.886 8.380 -0.000 0.000 0.511 152 I N -4.354 116.224 120.570 0.013 0.000 3.074 152 I HA 0.562 4.731 4.170 -0.002 0.000 0.310 152 I C -1.974 174.154 176.117 0.019 0.000 1.153 152 I CA -2.141 59.161 61.300 0.003 0.000 0.993 152 I CB 2.285 40.271 38.000 -0.023 0.000 1.237 152 I HN -0.309 7.901 8.210 -0.000 0.000 0.443 153 P HA 0.033 4.453 4.420 -0.000 0.000 0.214 153 P C 0.211 177.534 177.300 0.039 0.000 1.163 153 P CA 1.449 64.575 63.100 0.043 0.000 0.883 153 P CB 0.114 31.815 31.700 0.001 0.000 0.788 154 I N -1.003 119.505 120.570 -0.103 0.000 2.668 154 I HA 0.278 4.447 4.170 -0.002 0.000 0.276 154 I C -2.547 173.324 176.117 -0.411 0.000 1.139 154 I CA -2.473 58.691 61.300 -0.226 0.000 1.133 154 I CB 1.514 39.311 38.000 -0.337 0.000 1.327 154 I HN -0.211 7.999 8.210 -0.000 0.000 0.520 155 P HA 0.021 4.441 4.420 -0.000 0.000 0.267 155 P C -0.851 176.243 177.300 -0.343 0.000 1.201 155 P CA 0.303 63.185 63.100 -0.363 0.000 0.775 155 P CB 0.298 31.716 31.700 -0.470 0.000 0.854 156 H N 0.538 119.587 119.070 -0.034 0.000 2.488 156 H HA 0.396 4.951 4.556 -0.002 0.000 0.322 156 H C 0.146 175.493 175.328 0.032 0.000 1.078 156 H CA -0.535 55.515 56.048 0.002 0.000 1.260 156 H CB 0.284 30.037 29.762 -0.015 0.000 1.425 156 H HN 0.269 8.549 8.280 -0.000 0.000 0.471 157 I N 3.582 124.256 120.570 0.174 0.000 2.474 157 I HA 0.126 4.295 4.170 -0.002 0.000 0.287 157 I C 0.006 176.192 176.117 0.116 0.000 1.048 157 I CA -0.253 61.126 61.300 0.131 0.000 1.383 157 I CB 0.488 38.575 38.000 0.145 0.000 1.412 157 I HN 0.356 8.566 8.210 -0.000 0.000 0.531 158 K N 7.482 127.933 120.400 0.086 0.000 2.413 158 K HA 0.493 4.812 4.320 -0.002 0.000 0.257 158 K C -0.851 175.795 176.600 0.078 0.000 0.946 158 K CA -0.684 55.657 56.287 0.089 0.000 0.823 158 K CB 2.007 34.557 32.500 0.084 0.000 1.109 158 K HN 0.506 8.756 8.250 -0.000 0.000 0.427 159 L N 5.271 126.547 121.223 0.089 0.000 2.410 159 L HA 0.365 4.704 4.340 -0.002 0.000 0.273 159 L C 0.857 177.833 176.870 0.178 0.000 1.152 159 L CA -0.289 54.578 54.840 0.046 0.000 0.855 159 L CB -0.065 41.986 42.059 -0.013 0.000 1.129 159 L HN 0.549 8.779 8.230 -0.000 0.000 0.463 160 I N -1.042 119.599 120.570 0.118 0.000 3.170 160 I HA 0.622 4.791 4.170 -0.002 0.000 0.312 160 I C -0.644 175.576 176.117 0.172 0.000 1.085 160 I CA -0.827 60.601 61.300 0.212 0.000 0.999 160 I CB 1.987 40.066 38.000 0.132 0.000 1.233 160 I HN 0.535 8.745 8.210 -0.000 0.000 0.467 161 D N 1.593 122.125 120.400 0.220 0.000 4.161 161 D HA -0.203 4.436 4.640 -0.002 0.000 0.246 161 D C -1.089 175.153 176.300 -0.097 0.000 1.064 161 D CA 0.630 54.694 54.000 0.108 0.000 1.187 161 D CB -0.659 40.173 40.800 0.054 0.000 0.871 161 D HN 0.568 8.938 8.370 -0.000 0.000 0.413 162 F N 0.783 120.691 119.950 -0.071 0.000 2.925 162 F HA 0.389 4.915 4.527 -0.002 0.000 0.302 162 F C 2.080 177.801 175.800 -0.132 0.000 1.189 162 F CA 0.133 58.021 58.000 -0.187 0.000 1.346 162 F CB 0.796 39.740 39.000 -0.094 0.000 0.954 162 F HN 0.343 8.643 8.300 -0.000 0.000 0.506 163 G N -0.326 108.475 108.800 0.002 0.000 2.534 163 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.217 163 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.217 163 G C 1.330 176.213 174.900 -0.028 0.000 1.128 163 G CA 0.456 45.567 45.100 0.017 0.000 0.784 163 G HN 0.418 8.708 8.290 -0.000 0.000 0.542 164 L N 0.127 121.281 121.223 -0.115 0.000 2.766 164 L HA 0.390 4.729 4.340 -0.002 0.000 0.242 164 L C 1.536 178.357 176.870 -0.081 0.000 1.136 164 L CA -0.423 54.300 54.840 -0.195 0.000 0.933 164 L CB 0.246 42.092 42.059 -0.356 0.000 1.241 164 L HN 0.154 8.384 8.230 -0.000 0.000 0.522 165 A N -0.052 122.736 122.820 -0.053 0.000 2.520 165 A HA 0.206 4.525 4.320 -0.002 0.000 0.235 165 A C -0.701 176.961 177.584 0.129 0.000 1.065 165 A CA 0.610 52.670 52.037 0.038 0.000 0.764 165 A CB -0.106 18.965 19.000 0.119 0.000 1.002 165 A HN 0.425 8.575 8.150 -0.000 0.000 0.502 166 H N -0.154 118.911 119.070 -0.008 0.000 3.026 166 H HA 0.335 4.890 4.556 -0.002 0.000 0.352 166 H C -0.928 174.309 175.328 -0.151 0.000 1.090 166 H CA -0.459 55.525 56.048 -0.107 0.000 1.268 166 H CB 1.161 30.770 29.762 -0.256 0.000 1.816 166 H HN 0.769 9.049 8.280 -0.000 0.000 0.518 167 E N 4.404 124.443 120.200 -0.269 0.000 2.290 167 E HA 0.116 4.465 4.350 -0.002 0.000 0.277 167 E C -0.119 176.443 176.600 -0.063 0.000 1.035 167 E CA -0.470 55.837 56.400 -0.155 0.000 0.873 167 E CB 0.907 30.504 29.700 -0.172 0.000 1.029 167 E HN 0.308 8.668 8.360 -0.000 0.000 0.419 168 I N 3.950 124.492 120.570 -0.047 0.000 2.322 168 I HA 0.077 4.246 4.170 -0.002 0.000 0.292 168 I C 0.550 176.661 176.117 -0.010 0.000 1.060 168 I CA -0.080 61.214 61.300 -0.011 0.000 1.309 168 I CB -0.040 37.938 38.000 -0.037 0.000 1.415 168 I HN 0.426 8.636 8.210 -0.000 0.000 0.492 169 E N 4.493 124.703 120.200 0.017 0.000 2.301 169 E HA 0.189 4.538 4.350 -0.002 0.000 0.275 169 E C -0.756 175.855 176.600 0.019 0.000 1.030 169 E CA -0.797 55.610 56.400 0.011 0.000 0.852 169 E CB 1.008 30.721 29.700 0.022 0.000 1.060 169 E HN 0.364 8.724 8.360 -0.000 0.000 0.401 170 D N 1.437 121.842 120.400 0.008 0.000 2.434 170 D HA 0.138 4.777 4.640 -0.002 0.000 0.252 170 D C 1.155 177.465 176.300 0.017 0.000 1.185 170 D CA 0.951 54.956 54.000 0.010 0.000 0.886 170 D CB 0.653 41.455 40.800 0.003 0.000 1.148 170 D HN 0.749 9.119 8.370 -0.000 0.000 0.483 171 G N 1.480 110.293 108.800 0.021 0.000 2.175 171 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.265 171 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.265 171 G C 0.313 175.232 174.900 0.031 0.000 0.979 171 G CA 0.290 45.403 45.100 0.022 0.000 0.663 171 G HN 0.508 8.798 8.290 -0.000 0.000 0.533 172 V N 0.747 120.688 119.914 0.046 0.000 2.432 172 V HA 0.451 4.571 4.120 -0.002 0.000 0.275 172 V C 0.590 176.738 176.094 0.090 0.000 1.043 172 V CA -0.493 61.847 62.300 0.066 0.000 0.925 172 V CB 1.708 33.579 31.823 0.080 0.000 0.985 172 V HN 0.420 8.610 8.190 -0.000 0.000 0.466 173 E N 3.773 124.019 120.200 0.076 0.000 2.229 173 E HA 0.331 4.680 4.350 -0.002 0.000 0.283 173 E C -1.446 175.222 176.600 0.112 0.000 1.030 173 E CA -0.493 55.945 56.400 0.063 0.000 0.836 173 E CB 0.801 30.501 29.700 0.001 0.000 1.068 173 E HN 0.541 8.901 8.360 -0.000 0.000 0.401 174 F N 4.973 124.881 119.950 -0.069 0.000 2.532 174 F HA 0.387 4.913 4.527 -0.001 0.000 0.365 174 F C -1.144 174.548 175.800 -0.181 0.000 1.112 174 F CA -0.709 57.225 58.000 -0.110 0.000 1.082 174 F CB 0.624 39.568 39.000 -0.093 0.000 1.319 174 F HN 0.247 8.547 8.300 -0.000 0.000 0.457 175 K N 4.340 124.353 120.400 -0.644 0.000 2.244 175 K HA 0.529 4.848 4.320 -0.002 0.000 0.260 175 K C -0.997 175.150 176.600 -0.755 0.000 0.951 175 K CA -0.990 54.836 56.287 -0.770 0.000 0.826 175 K CB 1.696 33.598 32.500 -0.997 0.000 1.108 175 K HN 0.509 8.759 8.250 -0.000 0.000 0.433 176 N N 1.862 120.185 118.700 -0.629 0.000 2.961 176 N HA 0.417 5.156 4.740 -0.002 0.000 0.245 176 N C -1.852 173.413 175.510 -0.410 0.000 1.404 176 N CA -0.619 52.209 53.050 -0.370 0.000 0.880 176 N CB 1.292 39.541 38.487 -0.396 0.000 1.461 176 N HN 0.465 8.845 8.380 -0.000 0.000 0.510 177 I N 2.741 123.168 120.570 -0.239 0.000 2.382 177 I HA 0.530 4.699 4.170 -0.002 0.000 0.286 177 I C -0.958 175.064 176.117 -0.159 0.000 1.002 177 I CA -0.654 60.465 61.300 -0.302 0.000 1.135 177 I CB 0.453 38.360 38.000 -0.155 0.000 1.288 177 I HN 0.478 8.688 8.210 -0.000 0.000 0.448 178 F N 3.539 123.451 119.950 -0.064 0.000 2.817 178 F HA 0.915 5.441 4.527 -0.002 0.000 0.317 178 F C -0.020 175.788 175.800 0.013 0.000 1.168 178 F CA -0.955 57.033 58.000 -0.021 0.000 0.911 178 F CB 0.543 39.531 39.000 -0.021 0.000 1.337 178 F HN 0.695 8.995 8.300 -0.000 0.000 0.464 179 G N 0.113 109.162 108.800 0.414 0.000 2.756 179 G HA2 0.180 4.139 3.960 -0.002 0.000 0.678 179 G HA3 0.180 4.139 3.960 -0.002 0.000 0.678 179 G C -0.914 174.115 174.900 0.215 0.000 1.349 179 G CA -0.575 44.722 45.100 0.329 0.000 0.847 179 G HN 1.051 9.341 8.290 -0.000 0.000 0.548 180 T N 3.174 117.874 114.554 0.243 0.000 2.761 180 T HA 0.455 4.804 4.350 -0.002 0.000 0.296 180 T C -0.769 174.069 174.700 0.231 0.000 0.934 180 T CA -0.155 62.094 62.100 0.249 0.000 1.091 180 T CB 1.460 70.544 68.868 0.360 0.000 0.896 180 T HN 0.395 8.635 8.240 -0.000 0.000 0.515 181 P HA -0.206 4.214 4.420 -0.000 0.000 0.217 181 P C 1.434 178.747 177.300 0.021 0.000 1.158 181 P CA 1.027 64.155 63.100 0.047 0.000 0.887 181 P CB 0.212 31.923 31.700 0.018 0.000 0.792 182 E N -1.650 118.524 120.200 -0.042 0.000 2.171 182 E HA -0.196 4.153 4.350 -0.002 0.000 0.197 182 E C 0.846 177.199 176.600 -0.411 0.000 0.997 182 E CA 1.046 57.258 56.400 -0.313 0.000 0.810 182 E CB -0.308 29.024 29.700 -0.613 0.000 0.738 182 E HN 0.280 8.640 8.360 -0.000 0.000 0.467 183 F N -0.353 119.701 119.950 0.174 0.000 2.682 183 F HA 0.145 4.671 4.527 -0.002 0.000 0.308 183 F C 0.378 176.348 175.800 0.284 0.000 1.093 183 F CA -0.632 57.511 58.000 0.237 0.000 1.244 183 F CB 0.837 39.949 39.000 0.187 0.000 1.052 183 F HN -0.153 8.147 8.300 -0.000 0.000 0.573 184 V N -0.500 119.575 119.914 0.268 0.000 2.785 184 V HA 0.801 4.920 4.120 -0.002 0.000 0.300 184 V C 0.419 176.351 176.094 -0.269 0.000 1.062 184 V CA -1.405 60.945 62.300 0.084 0.000 1.029 184 V CB 0.786 32.592 31.823 -0.028 0.000 1.024 184 V HN 0.084 8.274 8.190 -0.000 0.000 0.477 185 A N 4.089 126.600 122.820 -0.516 0.000 2.332 185 A HA 0.597 4.916 4.320 -0.002 0.000 0.258 185 A C -1.072 175.978 177.584 -0.890 0.000 1.087 185 A CA -1.190 50.108 52.037 -1.232 0.000 0.802 185 A CB -0.092 18.512 19.000 -0.660 0.000 1.042 185 A HN 0.795 8.945 8.150 -0.000 0.000 0.489 186 P HA -0.258 4.162 4.420 -0.000 0.000 0.216 186 P C 1.308 178.374 177.300 -0.390 0.000 1.154 186 P CA 1.923 64.658 63.100 -0.608 0.000 0.865 186 P CB 0.034 31.404 31.700 -0.550 0.000 0.789 187 E N -0.182 119.808 120.200 -0.350 0.000 2.160 187 E HA -0.173 4.176 4.350 -0.002 0.000 0.195 187 E C 2.023 178.463 176.600 -0.267 0.000 0.991 187 E CA 1.256 57.509 56.400 -0.245 0.000 0.810 187 E CB -1.256 28.338 29.700 -0.176 0.000 0.742 187 E HN 0.300 8.660 8.360 -0.000 0.000 0.466 188 I N 1.259 121.636 120.570 -0.322 0.000 2.163 188 I HA -0.220 3.949 4.170 -0.002 0.000 0.240 188 I C 2.622 178.562 176.117 -0.294 0.000 1.081 188 I CA 0.877 61.944 61.300 -0.389 0.000 1.353 188 I CB -0.228 37.491 38.000 -0.468 0.000 1.054 188 I HN -0.064 8.146 8.210 -0.000 0.000 0.407 189 V N 1.080 120.832 119.914 -0.269 0.000 2.407 189 V HA -0.238 3.881 4.120 -0.002 0.000 0.248 189 V C 1.854 177.860 176.094 -0.146 0.000 1.055 189 V CA 1.708 63.887 62.300 -0.201 0.000 1.049 189 V CB -0.791 30.907 31.823 -0.209 0.000 0.662 189 V HN 0.462 8.652 8.190 -0.000 0.000 0.455 190 N N -0.898 117.712 118.700 -0.150 0.000 2.467 190 N HA -0.059 4.680 4.740 -0.002 0.000 0.184 190 N C 0.535 176.042 175.510 -0.005 0.000 1.106 190 N CA 0.255 53.251 53.050 -0.090 0.000 0.892 190 N CB -0.099 38.321 38.487 -0.111 0.000 0.969 190 N HN 0.579 8.959 8.380 -0.000 0.000 0.454 191 Y N 0.977 121.151 120.300 -0.210 0.000 3.178 191 Y HA -0.302 4.247 4.550 -0.001 0.000 0.200 191 Y C -0.578 175.215 175.900 -0.178 0.000 1.427 191 Y CA 0.053 58.026 58.100 -0.212 0.000 1.250 191 Y CB -1.909 36.444 38.460 -0.178 0.000 1.421 191 Y HN 0.120 8.400 8.280 -0.000 0.000 0.506 192 E N 1.126 121.155 120.200 -0.285 0.000 2.264 192 E HA 0.479 4.828 4.350 -0.002 0.000 0.260 192 E C -2.457 173.971 176.600 -0.285 0.000 0.961 192 E CA -2.372 53.870 56.400 -0.263 0.000 0.834 192 E CB 1.050 30.652 29.700 -0.163 0.000 1.230 192 E HN 0.025 8.385 8.360 -0.000 0.000 0.412 193 P HA -0.033 4.387 4.420 -0.000 0.000 0.261 193 P C -0.929 176.339 177.300 -0.054 0.000 1.183 193 P CA 0.714 63.734 63.100 -0.134 0.000 0.761 193 P CB 0.275 31.931 31.700 -0.074 0.000 0.785 194 L N 2.562 123.801 121.223 0.027 0.000 2.352 194 L HA 0.852 5.191 4.340 -0.002 0.000 0.269 194 L C 1.159 178.219 176.870 0.317 0.000 1.034 194 L CA -0.184 54.771 54.840 0.192 0.000 0.806 194 L CB 1.652 43.858 42.059 0.245 0.000 1.244 194 L HN 0.512 8.742 8.230 -0.000 0.000 0.447 195 G N 0.104 109.116 108.800 0.352 0.000 2.664 195 G HA2 0.311 4.270 3.960 -0.002 0.000 0.303 195 G HA3 0.311 4.270 3.960 -0.002 0.000 0.303 195 G C 0.017 174.948 174.900 0.052 0.000 1.243 195 G CA -0.748 44.467 45.100 0.192 0.000 0.826 195 G HN 0.432 8.722 8.290 -0.000 0.000 0.498 196 L N 0.317 121.469 121.223 -0.118 0.000 2.551 196 L HA 0.080 4.419 4.340 -0.002 0.000 0.228 196 L C 2.350 179.175 176.870 -0.076 0.000 1.153 196 L CA 0.863 55.506 54.840 -0.328 0.000 0.851 196 L CB -0.219 41.494 42.059 -0.577 0.000 0.959 196 L HN 0.511 8.741 8.230 -0.000 0.000 0.451 197 E N 0.696 120.925 120.200 0.049 0.000 2.152 197 E HA -0.098 4.251 4.350 -0.002 0.000 0.192 197 E C 2.363 179.081 176.600 0.197 0.000 0.983 197 E CA 0.997 57.475 56.400 0.129 0.000 0.818 197 E CB -0.200 29.564 29.700 0.107 0.000 0.758 197 E HN 0.408 8.768 8.360 -0.000 0.000 0.467 198 A N 1.606 124.558 122.820 0.219 0.000 1.908 198 A HA -0.262 4.057 4.320 -0.002 0.000 0.218 198 A C 1.582 179.363 177.584 0.328 0.000 1.181 198 A CA 1.924 54.133 52.037 0.287 0.000 0.627 198 A CB -0.562 18.712 19.000 0.457 0.000 0.818 198 A HN 0.110 8.260 8.150 -0.000 0.000 0.445 199 D N -0.469 120.091 120.400 0.267 0.000 2.149 199 D HA -0.147 4.492 4.640 -0.002 0.000 0.198 199 D C 1.887 178.328 176.300 0.236 0.000 0.990 199 D CA 1.242 55.393 54.000 0.251 0.000 0.839 199 D CB -0.274 40.686 40.800 0.267 0.000 0.948 199 D HN 0.323 8.693 8.370 -0.000 0.000 0.460 200 M N -0.782 118.966 119.600 0.248 0.000 2.254 200 M HA -0.087 4.392 4.480 -0.002 0.000 0.265 200 M C 2.088 178.504 176.300 0.193 0.000 1.066 200 M CA 0.568 55.977 55.300 0.183 0.000 1.123 200 M CB -1.045 31.654 32.600 0.165 0.000 1.388 200 M HN 0.303 8.593 8.290 -0.000 0.000 0.425 201 W N 1.554 122.901 121.300 0.078 0.000 2.379 201 W HA -0.131 4.528 4.660 -0.001 0.000 0.307 201 W C 1.940 178.525 176.519 0.110 0.000 1.200 201 W CA 1.702 59.087 57.345 0.066 0.000 1.297 201 W CB -0.521 28.970 29.460 0.051 0.000 1.140 201 W HN 0.205 8.385 8.180 -0.000 0.000 0.507 202 S N 1.492 117.456 115.700 0.440 0.000 2.370 202 S HA -0.227 4.242 4.470 -0.002 0.000 0.226 202 S C 1.848 176.579 174.600 0.220 0.000 1.033 202 S CA 1.860 60.277 58.200 0.362 0.000 1.011 202 S CB -0.604 62.794 63.200 0.330 0.000 0.852 202 S HN 0.280 8.590 8.310 -0.000 0.000 0.457 203 I N 1.491 122.161 120.570 0.166 0.000 2.286 203 I HA -0.143 4.026 4.170 -0.002 0.000 0.248 203 I C 2.675 178.886 176.117 0.157 0.000 1.115 203 I CA 1.065 62.462 61.300 0.163 0.000 1.392 203 I CB -0.825 37.268 38.000 0.154 0.000 1.065 203 I HN 0.374 8.584 8.210 -0.000 0.000 0.418 204 G N 0.497 109.302 108.800 0.008 0.000 2.446 204 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.217 204 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.217 204 G C 1.697 176.595 174.900 -0.004 0.000 1.168 204 G CA 1.006 46.050 45.100 -0.094 0.000 0.771 204 G HN 0.245 8.535 8.290 -0.000 0.000 0.551 205 V N 1.162 121.059 119.914 -0.028 0.000 2.307 205 V HA -0.136 3.983 4.120 -0.002 0.000 0.245 205 V C 2.801 179.091 176.094 0.327 0.000 1.045 205 V CA 1.571 63.925 62.300 0.091 0.000 1.024 205 V CB -0.421 31.505 31.823 0.172 0.000 0.651 205 V HN 0.391 8.581 8.190 -0.000 0.000 0.449 206 I N 0.051 120.839 120.570 0.363 0.000 2.208 206 I HA -0.257 3.912 4.170 -0.002 0.000 0.245 206 I C 2.522 178.929 176.117 0.484 0.000 1.097 206 I CA 1.903 63.461 61.300 0.430 0.000 1.363 206 I CB -0.647 37.517 38.000 0.273 0.000 1.051 206 I HN 0.330 8.540 8.210 -0.000 0.000 0.413 207 T N -0.241 114.560 114.554 0.411 0.000 2.777 207 T HA -0.229 4.120 4.350 -0.002 0.000 0.266 207 T C 1.758 176.694 174.700 0.394 0.000 1.040 207 T CA 1.315 63.672 62.100 0.428 0.000 1.141 207 T CB -0.443 68.734 68.868 0.515 0.000 0.868 207 T HN 0.318 8.558 8.240 -0.000 0.000 0.444 208 Y N 1.790 122.239 120.300 0.248 0.000 2.081 208 Y HA -0.190 4.359 4.550 -0.001 0.000 0.280 208 Y C 2.034 178.102 175.900 0.280 0.000 1.163 208 Y CA 1.215 59.476 58.100 0.268 0.000 1.135 208 Y CB -0.519 37.994 38.460 0.088 0.000 0.970 208 Y HN 0.177 8.457 8.280 -0.000 0.000 0.498 209 I N -0.437 120.455 120.570 0.536 0.000 2.226 209 I HA -0.308 3.861 4.170 -0.002 0.000 0.245 209 I C 2.536 178.814 176.117 0.268 0.000 1.100 209 I CA 1.341 62.895 61.300 0.423 0.000 1.374 209 I CB -0.480 37.855 38.000 0.558 0.000 1.057 209 I HN 0.309 8.519 8.210 -0.000 0.000 0.413 210 L N 0.572 121.940 121.223 0.242 0.000 2.046 210 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 210 L C 2.401 179.178 176.870 -0.155 0.000 1.077 210 L CA 1.558 56.353 54.840 -0.074 0.000 0.747 210 L CB -0.082 42.018 42.059 0.068 0.000 0.896 210 L HN 0.236 8.466 8.230 -0.000 0.000 0.432 211 L N -1.235 119.981 121.223 -0.011 0.000 2.313 211 L HA -0.082 4.257 4.340 -0.002 0.000 0.214 211 L C 2.246 178.980 176.870 -0.226 0.000 1.119 211 L CA 1.067 55.864 54.840 -0.071 0.000 0.809 211 L CB -0.318 41.767 42.059 0.043 0.000 0.933 211 L HN 0.450 8.680 8.230 -0.000 0.000 0.449 212 S N -2.342 113.200 115.700 -0.263 0.000 3.039 212 S HA 0.360 4.829 4.470 -0.002 0.000 0.251 212 S C 1.457 175.968 174.600 -0.149 0.000 1.064 212 S CA 0.519 58.451 58.200 -0.447 0.000 0.822 212 S CB 1.269 63.855 63.200 -1.023 0.000 0.802 212 S HN 0.296 8.606 8.310 -0.000 0.000 0.519 213 G N 1.530 110.310 108.800 -0.035 0.000 2.278 213 G HA2 0.058 4.017 3.960 -0.002 0.000 0.210 213 G HA3 0.058 4.017 3.960 -0.002 0.000 0.210 213 G C 0.274 175.085 174.900 -0.149 0.000 1.000 213 G CA -0.004 45.069 45.100 -0.045 0.000 0.635 213 G HN 1.279 9.569 8.290 -0.000 0.000 0.495 214 A N 0.027 122.687 122.820 -0.267 0.000 2.286 214 A HA 0.822 5.142 4.320 -0.002 0.000 0.286 214 A C 0.510 178.176 177.584 0.137 0.000 1.097 214 A CA 0.857 52.743 52.037 -0.252 0.000 0.821 214 A CB 1.207 19.857 19.000 -0.583 0.000 1.076 214 A HN 1.382 9.532 8.150 -0.000 0.000 0.490 215 S N 0.653 116.375 115.700 0.037 0.000 2.454 215 S HA 0.567 5.036 4.470 -0.002 0.000 0.306 215 S C -1.567 172.828 174.600 -0.342 0.000 1.100 215 S CA -1.643 56.530 58.200 -0.045 0.000 1.087 215 S CB 1.161 64.311 63.200 -0.084 0.000 1.019 215 S HN 0.525 8.835 8.310 -0.000 0.000 0.480 216 P HA 0.003 4.423 4.420 -0.000 0.000 0.218 216 P C 0.315 176.945 177.300 -1.117 0.000 1.149 216 P CA 1.307 63.500 63.100 -1.511 0.000 0.817 216 P CB 0.000 30.466 31.700 -2.058 0.000 0.785 217 F N -2.290 117.496 119.950 -0.274 0.000 2.746 217 F HA 0.267 4.793 4.527 -0.002 0.000 0.320 217 F C 0.874 176.616 175.800 -0.097 0.000 1.097 217 F CA -0.795 57.132 58.000 -0.122 0.000 1.195 217 F CB -0.320 38.650 39.000 -0.049 0.000 1.056 217 F HN -0.241 8.059 8.300 -0.000 0.000 0.562 218 L N 1.950 123.171 121.223 -0.003 0.000 2.534 218 L HA 0.466 4.805 4.340 -0.002 0.000 0.271 218 L C 0.608 177.480 176.870 0.003 0.000 1.178 218 L CA 0.142 54.971 54.840 -0.019 0.000 0.907 218 L CB -0.207 41.815 42.059 -0.063 0.000 1.164 218 L HN 0.181 8.411 8.230 -0.000 0.000 0.482 219 G N 3.086 111.895 108.800 0.015 0.000 2.642 219 G HA2 0.246 4.205 3.960 -0.002 0.000 0.291 219 G HA3 0.246 4.205 3.960 -0.002 0.000 0.291 219 G C -0.005 174.901 174.900 0.010 0.000 1.345 219 G CA -0.278 44.833 45.100 0.018 0.000 1.043 219 G HN 0.638 8.928 8.290 -0.000 0.000 0.528 220 D N -0.865 119.542 120.400 0.012 0.000 2.347 220 D HA 0.157 4.796 4.640 -0.002 0.000 0.213 220 D C 1.242 177.546 176.300 0.006 0.000 0.985 220 D CA 1.077 55.083 54.000 0.009 0.000 0.879 220 D CB 0.346 41.153 40.800 0.011 0.000 0.919 220 D HN 0.489 8.859 8.370 -0.000 0.000 0.526 221 T N -4.237 110.321 114.554 0.006 0.000 2.816 221 T HA 0.277 4.626 4.350 -0.002 0.000 0.299 221 T C 0.665 175.366 174.700 0.002 0.000 1.230 221 T CA -0.928 61.174 62.100 0.003 0.000 1.007 221 T CB 2.145 71.015 68.868 0.002 0.000 1.289 221 T HN -0.231 8.009 8.240 -0.000 0.000 0.508 222 K N 0.101 120.500 120.400 -0.001 0.000 2.097 222 K HA -0.136 4.183 4.320 -0.002 0.000 0.206 222 K C 2.245 178.839 176.600 -0.009 0.000 1.049 222 K CA 1.582 57.866 56.287 -0.005 0.000 0.933 222 K CB -0.168 32.328 32.500 -0.006 0.000 0.717 222 K HN 0.648 8.898 8.250 -0.000 0.000 0.442 223 Q N 0.608 120.403 119.800 -0.009 0.000 2.030 223 Q HA -0.241 4.098 4.340 -0.002 0.000 0.204 223 Q C 1.807 177.803 176.000 -0.005 0.000 0.986 223 Q CA 2.008 57.805 55.803 -0.011 0.000 0.843 223 Q CB -0.010 28.722 28.738 -0.009 0.000 0.904 223 Q HN 0.455 8.725 8.270 -0.000 0.000 0.420 224 E N -0.818 119.384 120.200 0.003 0.000 2.051 224 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 224 E C 2.008 178.621 176.600 0.023 0.000 0.991 224 E CA 1.697 58.105 56.400 0.014 0.000 0.799 224 E CB 0.029 29.739 29.700 0.017 0.000 0.748 224 E HN 0.403 8.763 8.360 -0.000 0.000 0.449 225 T N 1.611 116.175 114.554 0.018 0.000 2.746 225 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 225 T C 1.977 176.682 174.700 0.009 0.000 1.039 225 T CA 0.866 62.982 62.100 0.028 0.000 1.142 225 T CB -0.227 68.647 68.868 0.009 0.000 0.866 225 T HN 0.089 8.329 8.240 -0.000 0.000 0.444 226 L N 0.645 121.856 121.223 -0.019 0.000 2.083 226 L HA -0.093 4.246 4.340 -0.002 0.000 0.209 226 L C 3.035 179.874 176.870 -0.052 0.000 1.083 226 L CA 1.202 56.010 54.840 -0.053 0.000 0.752 226 L CB -0.650 41.376 42.059 -0.055 0.000 0.899 226 L HN 0.263 8.493 8.230 -0.000 0.000 0.433 227 A N 0.159 122.967 122.820 -0.020 0.000 1.873 227 A HA -0.184 4.135 4.320 -0.002 0.000 0.215 227 A C 2.050 179.645 177.584 0.019 0.000 1.186 227 A CA 1.625 53.657 52.037 -0.009 0.000 0.616 227 A CB -0.526 18.476 19.000 0.003 0.000 0.823 227 A HN 0.416 8.566 8.150 -0.000 0.000 0.442 228 N N 0.452 119.191 118.700 0.064 0.000 2.061 228 N HA -0.160 4.579 4.740 -0.002 0.000 0.193 228 N C 1.665 177.273 175.510 0.163 0.000 1.030 228 N CA 1.765 54.916 53.050 0.167 0.000 0.856 228 N CB -0.543 38.095 38.487 0.251 0.000 1.023 228 N HN 0.583 8.963 8.380 -0.000 0.000 0.424 229 I N 0.926 121.468 120.570 -0.048 0.000 2.142 229 I HA -0.260 3.909 4.170 -0.002 0.000 0.240 229 I C 2.338 178.308 176.117 -0.245 0.000 1.078 229 I CA 1.645 62.718 61.300 -0.379 0.000 1.343 229 I CB -0.712 37.056 38.000 -0.387 0.000 1.046 229 I HN 0.280 8.490 8.210 -0.000 0.000 0.405 230 T N -2.180 112.279 114.554 -0.158 0.000 2.962 230 T HA -0.091 4.258 4.350 -0.002 0.000 0.270 230 T C 1.676 176.348 174.700 -0.046 0.000 1.088 230 T CA 1.192 63.215 62.100 -0.128 0.000 1.127 230 T CB -0.450 68.356 68.868 -0.103 0.000 0.883 230 T HN 0.444 8.684 8.240 -0.000 0.000 0.493 231 S N 0.479 116.186 115.700 0.011 0.000 2.556 231 S HA 0.291 4.760 4.470 -0.002 0.000 0.216 231 S C 0.788 175.471 174.600 0.138 0.000 0.970 231 S CA 0.056 58.292 58.200 0.060 0.000 0.912 231 S CB -0.371 62.864 63.200 0.060 0.000 0.790 231 S HN 0.584 8.894 8.310 -0.000 0.000 0.504 232 V N 1.222 121.262 119.914 0.210 0.000 5.820 232 V HA -0.193 3.926 4.120 -0.002 0.000 0.300 232 V C 0.110 176.497 176.094 0.487 0.000 0.585 232 V CA 0.920 63.497 62.300 0.461 0.000 0.629 232 V CB -3.079 28.985 31.823 0.402 0.000 0.291 232 V HN 0.604 8.794 8.190 -0.000 0.000 0.887 233 S N 2.094 118.070 115.700 0.459 0.000 2.592 233 S HA 0.669 5.138 4.470 -0.002 0.000 0.305 233 S C -0.414 174.284 174.600 0.163 0.000 1.118 233 S CA -0.388 57.949 58.200 0.228 0.000 1.075 233 S CB 0.340 63.629 63.200 0.149 0.000 1.107 233 S HN 0.923 9.233 8.310 -0.000 0.000 0.503 234 Y N 0.183 120.379 120.300 -0.174 0.000 2.588 234 Y HA 0.836 5.385 4.550 -0.002 0.000 0.343 234 Y C -0.978 174.715 175.900 -0.346 0.000 1.065 234 Y CA -1.535 56.297 58.100 -0.447 0.000 1.038 234 Y CB 0.989 38.865 38.460 -0.973 0.000 1.297 234 Y HN 0.410 8.690 8.280 -0.000 0.000 0.467 235 D N 0.350 120.516 120.400 -0.390 0.000 2.614 235 D HA 0.416 5.055 4.640 -0.002 0.000 0.264 235 D C -1.685 174.364 176.300 -0.418 0.000 1.092 235 D CA -0.804 52.938 54.000 -0.429 0.000 1.071 235 D CB 1.141 41.843 40.800 -0.163 0.000 1.443 235 D HN 0.393 8.763 8.370 -0.000 0.000 0.528 236 F N 0.157 120.030 119.950 -0.128 0.000 2.334 236 F HA 0.267 4.794 4.527 -0.001 0.000 0.343 236 F C 0.105 175.922 175.800 0.029 0.000 1.136 236 F CA -0.938 56.876 58.000 -0.310 0.000 1.237 236 F CB 0.485 39.173 39.000 -0.519 0.000 1.525 236 F HN 0.175 8.475 8.300 -0.000 0.000 0.528 237 D N 1.443 122.064 120.400 0.369 0.000 2.389 237 D HA 0.036 4.675 4.640 -0.002 0.000 0.247 237 D C 1.294 177.741 176.300 0.244 0.000 1.128 237 D CA 0.275 54.431 54.000 0.260 0.000 0.884 237 D CB 1.052 41.982 40.800 0.216 0.000 1.194 237 D HN 0.319 8.689 8.370 -0.000 0.000 0.441 238 E N 2.524 122.776 120.200 0.087 0.000 2.265 238 E HA -0.212 4.137 4.350 -0.002 0.000 0.196 238 E C 1.354 177.900 176.600 -0.089 0.000 0.996 238 E CA 0.498 56.917 56.400 0.032 0.000 0.832 238 E CB 0.073 29.765 29.700 -0.012 0.000 0.756 238 E HN 0.716 9.076 8.360 -0.000 0.000 0.491 239 E N -0.389 119.652 120.200 -0.265 0.000 2.160 239 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 239 E C 1.134 177.395 176.600 -0.566 0.000 0.991 239 E CA 1.123 57.196 56.400 -0.544 0.000 0.810 239 E CB 0.015 29.153 29.700 -0.936 0.000 0.742 239 E HN 0.280 8.640 8.360 -0.000 0.000 0.466 240 F N -2.450 117.525 119.950 0.040 0.000 2.711 240 F HA 0.221 4.747 4.527 -0.002 0.000 0.296 240 F C 0.704 176.302 175.800 -0.336 0.000 1.096 240 F CA -0.455 57.458 58.000 -0.145 0.000 1.280 240 F CB 0.604 39.486 39.000 -0.198 0.000 1.060 240 F HN -0.105 8.195 8.300 -0.000 0.000 0.608 241 F N 0.073 120.112 119.950 0.148 0.000 2.791 241 F HA 0.169 4.695 4.527 -0.002 0.000 0.308 241 F C 1.868 177.665 175.800 -0.006 0.000 1.138 241 F CA -0.409 57.639 58.000 0.079 0.000 1.294 241 F CB -0.055 39.013 39.000 0.112 0.000 0.975 241 F HN -0.119 8.181 8.300 -0.000 0.000 0.512 242 S N -1.375 114.346 115.700 0.036 0.000 2.428 242 S HA -0.155 4.314 4.470 -0.002 0.000 0.230 242 S C 1.637 176.138 174.600 -0.165 0.000 1.014 242 S CA 1.069 59.207 58.200 -0.103 0.000 0.957 242 S CB -0.461 62.606 63.200 -0.220 0.000 0.784 242 S HN 0.430 8.740 8.310 -0.000 0.000 0.499 243 H N 1.390 120.472 119.070 0.019 0.000 2.535 243 H HA 0.195 4.750 4.556 -0.002 0.000 0.273 243 H C 0.186 175.525 175.328 0.018 0.000 0.983 243 H CA 0.906 56.959 56.048 0.008 0.000 1.238 243 H CB -0.313 29.442 29.762 -0.012 0.000 1.412 243 H HN 0.382 8.662 8.280 -0.000 0.000 0.562 244 T N 2.203 116.839 114.554 0.137 0.000 2.851 244 T HA 0.166 4.515 4.350 -0.002 0.000 0.298 244 T C 0.764 175.471 174.700 0.011 0.000 0.977 244 T CA -0.437 61.719 62.100 0.094 0.000 1.126 244 T CB 1.313 70.294 68.868 0.187 0.000 0.916 244 T HN 0.283 8.523 8.240 -0.000 0.000 0.529 245 S N 2.103 117.797 115.700 -0.011 0.000 2.600 245 S HA 0.195 4.664 4.470 -0.002 0.000 0.265 245 S C 1.161 175.683 174.600 -0.129 0.000 1.325 245 S CA -0.603 57.577 58.200 -0.034 0.000 1.002 245 S CB 0.900 64.120 63.200 0.033 0.000 0.921 245 S HN 0.670 8.980 8.310 -0.000 0.000 0.554 246 E N 0.441 120.583 120.200 -0.096 0.000 2.107 246 E HA 0.043 4.392 4.350 -0.002 0.000 0.191 246 E C 1.736 178.262 176.600 -0.123 0.000 0.982 246 E CA 0.983 57.306 56.400 -0.130 0.000 0.809 246 E CB -0.498 29.160 29.700 -0.069 0.000 0.756 246 E HN 0.715 9.075 8.360 -0.000 0.000 0.459 247 L N -0.243 120.948 121.223 -0.052 0.000 2.079 247 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 247 L C 2.394 179.099 176.870 -0.275 0.000 1.081 247 L CA 1.189 56.048 54.840 0.032 0.000 0.752 247 L CB -0.609 41.579 42.059 0.215 0.000 0.896 247 L HN 0.186 8.416 8.230 -0.000 0.000 0.433 248 A N 0.309 122.710 122.820 -0.698 0.000 1.858 248 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 248 A C 2.340 179.536 177.584 -0.646 0.000 1.190 248 A CA 1.672 52.957 52.037 -1.253 0.000 0.617 248 A CB -0.355 18.102 19.000 -0.906 0.000 0.827 248 A HN 0.305 8.455 8.150 -0.000 0.000 0.443 249 K N -0.627 119.457 120.400 -0.527 0.000 2.063 249 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 249 K C 1.865 178.298 176.600 -0.278 0.000 1.048 249 K CA 1.650 57.542 56.287 -0.659 0.000 0.928 249 K CB -0.291 31.645 32.500 -0.939 0.000 0.713 249 K HN 0.560 8.810 8.250 -0.000 0.000 0.442 250 D N 0.349 120.665 120.400 -0.140 0.000 2.104 250 D HA -0.195 4.444 4.640 -0.002 0.000 0.194 250 D C 1.683 178.020 176.300 0.062 0.000 0.994 250 D CA 0.982 55.010 54.000 0.047 0.000 0.830 250 D CB -0.097 40.809 40.800 0.176 0.000 0.959 250 D HN 0.158 8.528 8.370 -0.000 0.000 0.452 251 F N 0.660 120.462 119.950 -0.247 0.000 2.065 251 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 251 F C 2.094 177.773 175.800 -0.202 0.000 1.112 251 F CA 1.639 59.337 58.000 -0.503 0.000 1.212 251 F CB -0.261 38.452 39.000 -0.479 0.000 0.975 251 F HN 0.003 8.303 8.300 -0.000 0.000 0.476 252 I N 0.040 120.557 120.570 -0.089 0.000 2.142 252 I HA -0.319 3.850 4.170 -0.002 0.000 0.240 252 I C 2.655 178.747 176.117 -0.042 0.000 1.078 252 I CA 1.536 62.800 61.300 -0.060 0.000 1.343 252 I CB -0.599 37.527 38.000 0.211 0.000 1.046 252 I HN 0.091 8.301 8.210 -0.000 0.000 0.405 253 R N 1.112 121.692 120.500 0.132 0.000 2.119 253 R HA -0.235 4.105 4.340 -0.002 0.000 0.246 253 R C 2.118 178.469 176.300 0.086 0.000 1.146 253 R CA 1.805 58.033 56.100 0.212 0.000 0.962 253 R CB -0.069 30.360 30.300 0.216 0.000 0.863 253 R HN 0.340 8.610 8.270 -0.000 0.000 0.442 254 K N -0.293 120.103 120.400 -0.006 0.000 2.365 254 K HA 0.006 4.325 4.320 -0.002 0.000 0.197 254 K C 1.905 178.464 176.600 -0.068 0.000 1.042 254 K CA 0.529 56.810 56.287 -0.010 0.000 0.987 254 K CB 0.211 32.716 32.500 0.009 0.000 0.779 254 K HN 0.209 8.459 8.250 -0.000 0.000 0.484 255 L N 0.583 121.690 121.223 -0.193 0.000 2.127 255 L HA 0.004 4.343 4.340 -0.002 0.000 0.203 255 L C 0.887 177.674 176.870 -0.138 0.000 1.080 255 L CA 0.526 55.250 54.840 -0.193 0.000 0.768 255 L CB -0.027 41.823 42.059 -0.348 0.000 0.924 255 L HN 0.102 8.332 8.230 -0.000 0.000 0.444 256 L N 1.926 122.986 121.223 -0.271 0.000 2.399 256 L HA 0.210 4.549 4.340 -0.002 0.000 0.257 256 L C -0.999 175.902 176.870 0.051 0.000 1.236 256 L CA -0.232 54.324 54.840 -0.474 0.000 1.144 256 L CB -0.087 41.486 42.059 -0.809 0.000 1.379 256 L HN -0.070 8.160 8.230 -0.000 0.000 0.414 257 V N 1.500 121.604 119.914 0.316 0.000 2.686 257 V HA 0.171 4.290 4.120 -0.002 0.000 0.306 257 V C 0.817 177.128 176.094 0.362 0.000 1.065 257 V CA -0.923 61.568 62.300 0.318 0.000 0.894 257 V CB 2.433 34.369 31.823 0.187 0.000 1.004 257 V HN 0.490 8.680 8.190 -0.000 0.000 0.424 258 K N 2.302 122.851 120.400 0.248 0.000 1.985 258 K HA -0.074 4.245 4.320 -0.002 0.000 0.210 258 K C 0.873 177.505 176.600 0.053 0.000 1.047 258 K CA 1.337 57.682 56.287 0.098 0.000 0.932 258 K CB 0.159 32.690 32.500 0.052 0.000 0.716 258 K HN 0.802 9.052 8.250 -0.000 0.000 0.439 259 E N 0.949 121.189 120.200 0.066 0.000 2.328 259 E HA -0.057 4.292 4.350 -0.002 0.000 0.265 259 E C 0.717 177.353 176.600 0.060 0.000 1.057 259 E CA -0.019 56.408 56.400 0.045 0.000 0.916 259 E CB 0.945 30.672 29.700 0.045 0.000 0.993 259 E HN 0.387 8.747 8.360 -0.000 0.000 0.446 260 T N 2.496 117.075 114.554 0.041 0.000 2.803 260 T HA -0.206 4.143 4.350 -0.002 0.000 0.269 260 T C 1.520 176.256 174.700 0.061 0.000 1.052 260 T CA 1.040 63.173 62.100 0.055 0.000 1.136 260 T CB -0.045 68.846 68.868 0.037 0.000 0.864 260 T HN 0.465 8.705 8.240 -0.000 0.000 0.467 261 R N 1.012 121.541 120.500 0.049 0.000 2.115 261 R HA 0.133 4.473 4.340 -0.002 0.000 0.226 261 R C 2.644 178.977 176.300 0.056 0.000 1.100 261 R CA 1.025 57.154 56.100 0.048 0.000 0.980 261 R CB -0.152 30.170 30.300 0.037 0.000 0.875 261 R HN 0.410 8.680 8.270 -0.000 0.000 0.445 262 K N 0.420 120.857 120.400 0.062 0.000 2.296 262 K HA -0.017 4.303 4.320 -0.002 0.000 0.200 262 K C 0.957 177.604 176.600 0.079 0.000 1.048 262 K CA 0.105 56.433 56.287 0.068 0.000 0.966 262 K CB 0.135 32.676 32.500 0.069 0.000 0.754 262 K HN -0.002 8.248 8.250 -0.000 0.000 0.466 263 R N 1.596 122.150 120.500 0.089 0.000 2.643 263 R HA 0.086 4.425 4.340 -0.002 0.000 0.270 263 R C -0.298 176.051 176.300 0.081 0.000 1.061 263 R CA -0.200 55.958 56.100 0.097 0.000 1.107 263 R CB 0.381 30.760 30.300 0.132 0.000 0.999 263 R HN 0.029 8.299 8.270 -0.000 0.000 0.460 264 L N 3.477 124.736 121.223 0.061 0.000 2.485 264 L HA 0.047 4.386 4.340 -0.002 0.000 0.275 264 L C 0.992 177.914 176.870 0.086 0.000 1.207 264 L CA 0.102 54.981 54.840 0.064 0.000 0.855 264 L CB 0.647 42.721 42.059 0.025 0.000 1.114 264 L HN 0.830 9.060 8.230 -0.000 0.000 0.485 265 T N -0.730 113.885 114.554 0.101 0.000 2.824 265 T HA 0.172 4.522 4.350 -0.002 0.000 0.277 265 T C 1.026 175.803 174.700 0.129 0.000 0.975 265 T CA -0.749 61.426 62.100 0.125 0.000 0.966 265 T CB 1.393 70.330 68.868 0.113 0.000 1.054 265 T HN 0.448 8.688 8.240 -0.000 0.000 0.533 266 I N 0.974 121.633 120.570 0.148 0.000 2.361 266 I HA -0.093 4.076 4.170 -0.002 0.000 0.251 266 I C 2.410 178.590 176.117 0.105 0.000 1.133 266 I CA 1.522 62.879 61.300 0.094 0.000 1.413 266 I CB -0.718 37.279 38.000 -0.005 0.000 1.073 266 I HN 0.686 8.896 8.210 -0.000 0.000 0.424 267 Q N 0.310 120.174 119.800 0.108 0.000 2.079 267 Q HA -0.189 4.150 4.340 -0.002 0.000 0.200 267 Q C 2.132 178.205 176.000 0.122 0.000 0.974 267 Q CA 1.942 57.806 55.803 0.102 0.000 0.840 267 Q CB -0.359 28.431 28.738 0.087 0.000 0.898 267 Q HN 0.550 8.820 8.270 -0.000 0.000 0.430 268 E N 0.453 120.731 120.200 0.129 0.000 2.110 268 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 268 E C 1.949 178.683 176.600 0.224 0.000 0.988 268 E CA 0.981 57.474 56.400 0.154 0.000 0.804 268 E CB -0.220 29.561 29.700 0.134 0.000 0.745 268 E HN 0.407 8.767 8.360 -0.000 0.000 0.458 269 A N 1.112 124.065 122.820 0.222 0.000 1.877 269 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 269 A C 2.197 180.005 177.584 0.374 0.000 1.186 269 A CA 1.094 53.339 52.037 0.346 0.000 0.620 269 A CB -0.664 18.510 19.000 0.290 0.000 0.822 269 A HN 0.132 8.282 8.150 -0.000 0.000 0.443 270 L N -1.078 120.284 121.223 0.231 0.000 2.083 270 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 270 L C 2.642 179.606 176.870 0.157 0.000 1.083 270 L CA 1.291 56.228 54.840 0.163 0.000 0.752 270 L CB -0.354 41.771 42.059 0.110 0.000 0.899 270 L HN 0.312 8.542 8.230 -0.000 0.000 0.433 271 R N -1.556 119.045 120.500 0.168 0.000 2.323 271 R HA -0.024 4.315 4.340 -0.002 0.000 0.198 271 R C 0.646 177.049 176.300 0.171 0.000 0.988 271 R CA -0.104 56.078 56.100 0.137 0.000 1.041 271 R CB -0.268 30.098 30.300 0.110 0.000 0.926 271 R HN 0.311 8.581 8.270 -0.000 0.000 0.476 272 H N 2.341 121.515 119.070 0.174 0.000 2.886 272 H HA 0.034 4.590 4.556 -0.002 0.000 0.329 272 H C -1.582 173.853 175.328 0.178 0.000 1.044 272 H CA -1.594 54.589 56.048 0.224 0.000 1.456 272 H CB 1.596 31.605 29.762 0.411 0.000 1.464 272 H HN -0.092 8.188 8.280 -0.000 0.000 0.573 273 P HA -0.150 4.270 4.420 -0.000 0.000 0.225 273 P C 1.445 178.865 177.300 0.201 0.000 1.148 273 P CA 0.819 63.941 63.100 0.036 0.000 0.779 273 P CB -0.109 31.559 31.700 -0.052 0.000 0.780 274 W N 0.803 122.243 121.300 0.232 0.000 2.418 274 W HA -0.057 4.602 4.660 -0.001 0.000 0.292 274 W C 1.875 178.379 176.519 -0.025 0.000 1.213 274 W CA 0.933 58.344 57.345 0.111 0.000 1.283 274 W CB -0.450 29.071 29.460 0.102 0.000 1.119 274 W HN -0.246 7.934 8.180 -0.000 0.000 0.542 275 I N -0.640 119.911 120.570 -0.033 0.000 2.480 275 I HA -0.024 4.145 4.170 -0.002 0.000 0.251 275 I C 0.477 176.521 176.117 -0.122 0.000 1.124 275 I CA 1.210 62.378 61.300 -0.220 0.000 1.444 275 I CB -1.496 36.452 38.000 -0.088 0.000 1.098 275 I HN -0.234 7.976 8.210 -0.000 0.000 0.428 276 T N 3.299 117.846 114.554 -0.011 0.000 3.226 276 T HA 0.308 4.657 4.350 -0.002 0.000 0.378 276 T C -2.490 172.211 174.700 0.002 0.000 1.380 276 T CA -1.079 61.015 62.100 -0.010 0.000 1.396 276 T CB 1.274 70.155 68.868 0.020 0.000 1.044 276 T HN -0.120 8.120 8.240 -0.000 0.000 0.586 277 P HA 0.035 4.455 4.420 -0.000 0.000 0.264 277 P C 1.243 178.542 177.300 -0.002 0.000 1.193 277 P CA -0.189 62.910 63.100 -0.001 0.000 0.763 277 P CB 0.655 32.347 31.700 -0.014 0.000 0.810 278 V N -0.170 119.746 119.914 0.003 0.000 3.406 278 V HA 0.094 4.213 4.120 -0.002 0.000 0.263 278 V C 0.316 176.411 176.094 0.001 0.000 1.172 278 V CA 1.006 63.307 62.300 0.002 0.000 1.140 278 V CB -0.906 30.918 31.823 0.002 0.000 0.784 278 V HN 0.517 8.707 8.190 -0.000 0.000 0.467 279 D N -2.186 118.215 120.400 0.002 0.000 2.652 279 D HA 0.301 4.940 4.640 -0.002 0.000 0.285 279 D C 0.336 176.636 176.300 0.001 0.000 1.173 279 D CA -0.709 53.292 54.000 0.002 0.000 0.981 279 D CB 0.235 41.037 40.800 0.004 0.000 1.440 279 D HN -0.188 8.182 8.370 -0.000 0.000 0.485 280 N N -0.695 118.005 118.700 0.000 0.000 2.354 280 N HA -0.073 4.666 4.740 -0.002 0.000 0.179 280 N C 1.332 176.844 175.510 0.004 0.000 1.021 280 N CA 0.807 53.856 53.050 -0.001 0.000 0.887 280 N CB -0.102 38.383 38.487 -0.003 0.000 0.974 280 N HN 0.396 8.776 8.380 -0.000 0.000 0.437 281 Q N 1.262 121.066 119.800 0.007 0.000 2.045 281 Q HA -0.136 4.203 4.340 -0.002 0.000 0.206 281 Q C 2.025 178.037 176.000 0.020 0.000 0.991 281 Q CA 1.620 57.430 55.803 0.012 0.000 0.851 281 Q CB -0.351 28.394 28.738 0.012 0.000 0.911 281 Q HN 0.467 8.737 8.270 -0.000 0.000 0.418 282 Q N -0.655 119.159 119.800 0.024 0.000 2.124 282 Q HA -0.125 4.214 4.340 -0.002 0.000 0.202 282 Q C 2.046 178.068 176.000 0.035 0.000 0.977 282 Q CA 1.229 57.056 55.803 0.040 0.000 0.850 282 Q CB -0.252 28.511 28.738 0.041 0.000 0.901 282 Q HN 0.450 8.720 8.270 -0.000 0.000 0.429 283 A N 0.667 123.494 122.820 0.013 0.000 1.902 283 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 283 A C 2.036 179.621 177.584 0.002 0.000 1.181 283 A CA 1.399 53.433 52.037 -0.004 0.000 0.623 283 A CB -0.439 18.552 19.000 -0.014 0.000 0.818 283 A HN 0.287 8.437 8.150 -0.000 0.000 0.443 284 M N -0.855 118.749 119.600 0.008 0.000 2.132 284 M HA -0.110 4.369 4.480 -0.002 0.000 0.263 284 M C 2.098 178.412 176.300 0.022 0.000 1.065 284 M CA 1.211 56.517 55.300 0.009 0.000 1.122 284 M CB -0.391 32.214 32.600 0.008 0.000 1.365 284 M HN 0.238 8.528 8.290 -0.000 0.000 0.411 285 V N 0.273 120.208 119.914 0.035 0.000 2.332 285 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 285 V C 2.405 178.543 176.094 0.074 0.000 1.055 285 V CA 1.994 64.326 62.300 0.052 0.000 1.038 285 V CB -0.775 31.085 31.823 0.062 0.000 0.651 285 V HN 0.466 8.656 8.190 -0.000 0.000 0.450 286 R N -0.119 120.429 120.500 0.080 0.000 2.075 286 R HA -0.156 4.184 4.340 -0.002 0.000 0.232 286 R C 2.549 178.876 176.300 0.045 0.000 1.126 286 R CA 1.701 57.858 56.100 0.096 0.000 0.963 286 R CB -0.257 30.066 30.300 0.039 0.000 0.858 286 R HN 0.404 8.674 8.270 -0.000 0.000 0.435 287 R N 0.472 120.980 120.500 0.012 0.000 2.120 287 R HA -0.133 4.206 4.340 -0.002 0.000 0.234 287 R C 1.525 177.829 176.300 0.007 0.000 1.123 287 R CA 1.859 57.956 56.100 -0.004 0.000 0.975 287 R CB 0.064 30.356 30.300 -0.014 0.000 0.866 287 R HN 0.352 8.622 8.270 -0.000 0.000 0.446 288 E N -0.229 119.983 120.200 0.020 0.000 2.170 288 E HA 0.028 4.377 4.350 -0.002 0.000 0.191 288 E C -0.065 176.555 176.600 0.034 0.000 0.981 288 E CA 0.285 56.699 56.400 0.022 0.000 0.830 288 E CB 0.336 30.050 29.700 0.025 0.000 0.775 288 E HN 0.112 8.472 8.360 -0.000 0.000 0.470 289 S N 1.461 117.194 115.700 0.055 0.000 2.510 289 S HA 0.172 4.641 4.470 -0.002 0.000 0.279 289 S C 0.137 174.767 174.600 0.050 0.000 1.284 289 S CA -0.603 57.642 58.200 0.074 0.000 1.059 289 S CB 1.021 64.285 63.200 0.108 0.000 0.901 289 S HN 0.164 8.474 8.310 -0.000 0.000 0.491 290 V N 1.724 121.647 119.914 0.016 0.000 3.093 290 V HA 0.771 4.890 4.120 -0.002 0.000 0.320 290 V C -0.110 175.933 176.094 -0.085 0.000 1.093 290 V CA -0.856 61.407 62.300 -0.063 0.000 1.016 290 V CB 1.365 33.099 31.823 -0.148 0.000 1.096 290 V HN 0.480 8.670 8.190 -0.000 0.000 0.452 291 V N 1.660 121.493 119.914 -0.135 0.000 2.617 291 V HA 0.386 4.505 4.120 -0.002 0.000 0.298 291 V C 0.292 176.253 176.094 -0.222 0.000 1.048 291 V CA -0.507 61.700 62.300 -0.154 0.000 0.964 291 V CB 1.387 33.096 31.823 -0.190 0.000 1.004 291 V HN 0.977 9.167 8.190 -0.000 0.000 0.466 292 N N 3.066 121.671 118.700 -0.159 0.000 2.605 292 N HA 0.109 4.848 4.740 -0.002 0.000 0.258 292 N C 0.626 176.103 175.510 -0.055 0.000 1.156 292 N CA -0.149 52.836 53.050 -0.109 0.000 1.008 292 N CB 0.434 38.955 38.487 0.057 0.000 1.354 292 N HN 0.540 8.920 8.380 -0.000 0.000 0.509 293 L N 1.991 123.160 121.223 -0.090 0.000 2.191 293 L HA -0.078 4.261 4.340 -0.002 0.000 0.212 293 L C 2.150 179.053 176.870 0.055 0.000 1.103 293 L CA 1.264 56.083 54.840 -0.035 0.000 0.769 293 L CB -0.266 41.738 42.059 -0.091 0.000 0.908 293 L HN 0.473 8.703 8.230 -0.000 0.000 0.438 294 E N -0.623 119.594 120.200 0.029 0.000 2.051 294 E HA -0.241 4.108 4.350 -0.002 0.000 0.192 294 E C 1.973 178.620 176.600 0.077 0.000 0.991 294 E CA 1.269 57.699 56.400 0.049 0.000 0.799 294 E CB -0.317 29.406 29.700 0.038 0.000 0.748 294 E HN 0.487 8.847 8.360 -0.000 0.000 0.449 295 N N 0.000 118.757 118.700 0.094 0.000 2.216 295 N HA -0.132 4.607 4.740 -0.002 0.000 0.183 295 N C 1.610 177.169 175.510 0.081 0.000 1.017 295 N CA 0.597 53.710 53.050 0.106 0.000 0.861 295 N CB -0.302 38.281 38.487 0.160 0.000 0.986 295 N HN 0.039 8.419 8.380 -0.000 0.000 0.428 296 F N 1.220 121.133 119.950 -0.061 0.000 2.134 296 F HA 0.006 4.533 4.527 -0.001 0.000 0.299 296 F C 2.500 178.291 175.800 -0.015 0.000 1.097 296 F CA 1.261 59.206 58.000 -0.092 0.000 1.264 296 F CB -0.194 38.698 39.000 -0.180 0.000 1.001 296 F HN -0.011 8.289 8.300 -0.000 0.000 0.479 297 R N 0.310 120.887 120.500 0.128 0.000 2.092 297 R HA -0.156 4.183 4.340 -0.002 0.000 0.231 297 R C 2.383 178.744 176.300 0.101 0.000 1.119 297 R CA 1.525 57.693 56.100 0.112 0.000 0.970 297 R CB -0.220 30.140 30.300 0.101 0.000 0.864 297 R HN 0.262 8.532 8.270 -0.000 0.000 0.440 298 K N -0.215 120.216 120.400 0.053 0.000 2.031 298 K HA -0.097 4.222 4.320 -0.002 0.000 0.205 298 K C 2.010 178.606 176.600 -0.007 0.000 1.049 298 K CA 1.090 57.395 56.287 0.030 0.000 0.939 298 K CB 0.197 32.720 32.500 0.039 0.000 0.717 298 K HN 0.120 8.370 8.250 -0.000 0.000 0.438 299 Q N -0.518 119.262 119.800 -0.034 0.000 2.230 299 Q HA -0.178 4.161 4.340 -0.002 0.000 0.202 299 Q C 1.868 177.815 176.000 -0.088 0.000 0.963 299 Q CA 1.142 56.904 55.803 -0.069 0.000 0.866 299 Q CB -0.213 28.466 28.738 -0.098 0.000 0.931 299 Q HN 0.474 8.744 8.270 -0.000 0.000 0.452 300 Y N 1.159 121.306 120.300 -0.256 0.000 2.109 300 Y HA -0.099 4.450 4.550 -0.001 0.000 0.285 300 Y C 1.164 177.000 175.900 -0.106 0.000 1.131 300 Y CA 0.688 58.647 58.100 -0.236 0.000 1.121 300 Y CB -0.330 37.901 38.460 -0.380 0.000 0.987 300 Y HN -0.214 8.066 8.280 -0.000 0.000 0.495 301 V N 0.000 119.700 119.914 -0.357 0.000 2.409 301 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 301 V CA 0.000 62.078 62.300 -0.369 0.000 1.235 301 V CB 0.000 31.764 31.823 -0.098 0.000 1.184 301 V HN 0.000 8.190 8.190 -0.000 0.000 0.556