============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 95 rings ring int. center anis. iso. PHE 15 1.000 -8.917 -6.507 28.026 -99.200 -91.000 TYR 19 0.840 -13.974 -3.672 28.248 -99.200 -91.000 PHE 22 1.000 -18.678 -4.924 29.695 -99.200 -91.000 PHE 33 1.000 -36.551 3.262 26.569 -99.200 -91.000 TRP 38 1.040 -38.079 -3.474 28.307 -99.200 -91.000 TRP6 38 1.020 -39.662 -2.021 27.360 -99.200 -91.000 HIS 39 0.900 -40.481 -11.862 26.249 -99.200 -91.000 HIS 50 0.900 -24.384 -16.277 31.192 -99.200 -91.000 TYR 52 0.840 -13.551 -11.753 33.634 -99.200 -91.000 HIS 54 0.900 -18.808 -17.485 25.270 -99.200 -91.000 HIS 55 0.900 -14.939 -13.684 25.168 -99.200 -91.000 PHE 76 1.000 5.771 -22.054 32.206 -99.200 -91.000 HIS 83 0.900 8.130 -13.203 28.549 -99.200 -91.000 TYR 84 0.840 -1.660 -10.088 30.811 -99.200 -91.000 TYR 91 0.840 -3.265 -3.406 25.907 -99.200 -91.000 PHE 94 1.000 -3.670 0.131 34.147 -99.200 -91.000 PHE 100 1.000 -9.777 -13.153 30.216 -99.200 -91.000 PHE 101 1.000 -1.696 -13.629 35.027 -99.200 -91.000 TYR 105 0.840 -1.343 -18.715 38.965 -99.200 -91.000 PHE 109 1.000 -1.479 -22.954 37.941 -99.200 -91.000 HIS 111 0.900 -11.015 -18.893 42.049 -99.200 -91.000 PHE 120 1.000 -0.986 -9.081 35.998 -99.200 -91.000 PHE 122 1.000 -2.030 -5.020 46.570 -99.200 -91.000 PHE 130 1.000 -8.099 5.780 39.795 -99.200 -91.000 PHE 141 1.000 -24.720 19.969 26.895 -99.200 -91.000 HIS 142 0.900 -20.975 28.041 32.230 -99.200 -91.000 HIS 145 0.900 -33.320 32.390 27.186 -99.200 -91.000 TRP 147 1.040 -30.854 26.569 35.532 -99.200 -91.000 TRP6 147 1.020 -29.471 24.710 35.060 -99.200 -91.000 HIS 163 0.900 -43.546 8.519 18.215 -99.200 -91.000 TRP 164 1.040 -38.152 13.263 23.582 -99.200 -91.000 TRP6 164 1.020 -36.894 13.106 21.592 -99.200 -91.000 HIS 172 0.900 -44.284 25.334 31.905 -99.200 -91.000 TYR 173 0.840 -44.348 17.569 34.724 -99.200 -91.000 HIS 177 0.900 -34.156 19.348 40.241 -99.200 -91.000 HIS 186 0.900 -20.458 23.181 34.852 -99.200 -91.000 PHE 194 1.000 -23.824 6.225 33.538 -99.200 -91.000 TYR 195 0.840 -30.219 3.151 27.241 -99.200 -91.000 TRP 201 1.040 -31.618 5.205 35.212 -99.200 -91.000 TRP6 201 1.020 -32.354 6.284 37.167 -99.200 -91.000 PHE 215 1.000 -29.809 17.899 36.045 -99.200 -91.000 HIS 220 0.900 -39.066 5.877 33.737 -99.200 -91.000 PHE 228 1.000 -43.658 8.549 31.851 -99.200 -91.000 PHE 243 1.000 -25.403 5.266 39.293 -99.200 -91.000 PHE 245 1.000 -26.425 -3.450 49.400 -99.200 -91.000 TYR 249 0.840 -23.623 -5.066 39.701 -99.200 -91.000 PHE 250 1.000 -27.618 2.343 35.757 -99.200 -91.000 TYR 253 0.840 -19.662 1.598 23.371 -99.200 -91.000 TRP 263 1.040 -17.879 13.226 34.752 -99.200 -91.000 TRP6 263 1.020 -20.242 13.267 34.884 -99.200 -91.000 TYR 277 0.840 -13.040 -0.482 38.291 -99.200 -91.000 HIS 285 0.900 -10.374 -3.855 38.424 -99.200 -91.000 TYR 291 0.840 -8.562 -10.909 48.550 -99.200 -91.000 TYR 294 0.840 -10.599 -9.276 53.079 -99.200 -91.000 TYR 297 0.840 -12.051 -2.620 58.458 -99.200 -91.000 PHE 305 1.000 -12.262 -11.902 58.715 -99.200 -91.000 PHE 319 1.000 -15.869 -16.133 57.277 -99.200 -91.000 PHE 324 1.000 -14.226 -5.158 55.235 -99.200 -91.000 PHE 328 1.000 -15.609 -11.821 54.810 -99.200 -91.000 PHE 335 1.000 -21.968 -36.541 60.914 -99.200 -91.000 HIS 345 0.900 -31.769 -25.868 44.688 -99.200 -91.000 TYR 350 0.840 -25.777 -17.650 47.851 -99.200 -91.000 HIS 356 0.900 -34.540 -13.089 38.586 -99.200 -91.000 PHE 368 1.000 -13.172 -13.862 46.779 -99.200 -91.000 PHE 371 1.000 -10.360 -14.850 51.388 -99.200 -91.000 HIS 377 0.900 -6.235 -10.575 61.389 -99.200 -91.000 HIS 405 0.900 -18.549 -23.634 47.323 -99.200 -91.000 TYR 407 0.840 -21.744 -18.224 46.939 -99.200 -91.000 TRP 418 1.040 -33.184 -1.762 62.412 -99.200 -91.000 TRP6 418 1.020 -35.108 -0.844 61.413 -99.200 -91.000 TYR 434 0.840 -41.484 -9.745 55.711 -99.200 -91.000 PHE 447 1.000 -43.212 -18.707 46.962 -99.200 -91.000 PHE 453 1.000 -41.486 -11.533 60.662 -99.200 -91.000 PHE 456 1.000 -37.117 -10.836 53.086 -99.200 -91.000 HIS 461 0.900 -31.657 3.564 52.130 -99.200 -91.000 PHE 466 1.000 -35.196 -14.008 50.538 -99.200 -91.000 TYR 467 0.840 -29.629 -12.174 54.892 -99.200 -91.000 TYR 469 0.840 -29.364 -14.655 47.770 -99.200 -91.000 TYR 474 0.840 -36.078 -19.150 37.389 -99.200 -91.000 PHE 480 1.000 -47.938 -19.154 44.910 -99.200 -91.000 PHE 490 1.000 -50.828 -26.267 51.356 -99.200 -91.000 PHE 494 1.000 -46.196 -18.454 52.971 -99.200 -91.000 HIS 496 0.900 -49.108 -20.887 63.822 -99.200 -91.000 TRP 497 1.040 -42.730 -20.178 61.595 -99.200 -91.000 TRP6 497 1.020 -43.524 -22.160 60.589 -99.200 -91.000 PHE 508 1.000 -47.013 -9.303 57.980 -99.200 -91.000 HIS 512 0.900 -47.159 -5.745 53.393 -99.200 -91.000 PHE 516 1.000 -55.466 -13.266 54.135 -99.200 -91.000 TYR 520 0.840 -50.536 -10.441 45.999 -99.200 -91.000 TRP 521 1.040 -49.334 -15.029 47.364 -99.200 -91.000 TRP6 521 1.020 -47.089 -14.714 47.990 -99.200 -91.000 HIS 532 0.900 -46.883 -6.236 32.643 -99.200 -91.000 TYR 537 0.840 -42.174 3.340 38.978 -99.200 -91.000 TYR 539 0.840 -38.076 7.251 40.433 -99.200 -91.000 PHE 545 1.000 -41.999 15.086 37.298 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3lc6A1 ARG 3 HA 0.02 -0.04 0.23 -0.75 4.34 3.80 3lc6A1 ARG 3 HB2 0.01 0.00 0.11 -0.04 1.90 1.99 3lc6A1 ARG 3 HB3 0.01 -0.07 -0.03 -0.04 1.80 1.66 3lc6A1 ARG 3 HG2 0.00 0.02 0.02 -0.04 1.67 1.67 3lc6A1 ARG 3 HG3 0.01 0.04 0.04 -0.04 1.67 1.72 3lc6A1 ARG 3 HD2 -0.01 -0.02 0.02 -0.04 3.22 3.18 3lc6A1 ARG 3 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 3lc6A1 GLY 4 H 0.03 0.20 0.04 -0.55 8.43 8.15 3lc6A1 GLY 4 HA2 0.05 0.10 0.38 -0.51 4.01 4.03 3lc6A1 GLY 4 HA3 0.04 0.08 0.38 -0.51 4.01 4.00 3lc6A1 LEU 5 H 0.02 0.74 -0.59 -0.55 8.37 7.99 3lc6A1 LEU 5 HA 0.03 0.13 0.51 -0.75 4.35 4.27 3lc6A1 LEU 5 HB2 -0.00 0.00 0.01 -0.04 1.64 1.61 3lc6A1 LEU 5 HB3 0.02 0.04 0.11 -0.04 1.64 1.77 3lc6A1 LEU 5 HG 0.06 0.03 -0.18 -0.04 1.64 1.51 3lc6A1 LEU 5 HD13 0.03 -0.00 0.03 -0.04 0.93 0.94 3lc6A1 LEU 5 HD23 -0.12 -0.02 -0.04 -0.04 0.89 0.67 3lc6A1 GLU 6 H -0.01 0.26 0.01 -0.55 8.60 8.32 3lc6A1 GLU 6 HA 0.07 0.21 0.83 -0.75 4.29 4.64 3lc6A1 GLU 6 HB2 -0.03 0.01 0.07 -0.04 2.09 2.10 3lc6A1 GLU 6 HB3 0.34 0.03 -0.03 -0.04 1.99 2.29 3lc6A1 GLU 6 HG2 -0.53 0.07 -0.10 -0.04 2.34 1.74 3lc6A1 GLU 6 HG3 -0.00 -0.04 0.01 -0.04 2.34 2.26 3lc6A1 LEU 7 H -0.00 0.02 -0.61 -0.55 8.37 7.23 3lc6A1 LEU 7 HA 0.07 0.18 0.58 -0.75 4.35 4.43 3lc6A1 LEU 7 HB2 0.22 0.06 -0.05 -0.04 1.64 1.83 3lc6A1 LEU 7 HB3 0.09 -0.03 -0.02 -0.04 1.64 1.64 3lc6A1 LEU 7 HG 0.09 -0.01 -0.17 -0.04 1.64 1.52 3lc6A1 LEU 7 HD13 0.19 0.00 -0.03 -0.04 0.93 1.05 3lc6A1 LEU 7 HD23 0.12 0.01 -0.06 -0.04 0.89 0.92 3lc6A1 LEU 8 H 0.04 0.36 -0.03 -0.55 8.37 8.19 3lc6A1 LEU 8 HA 0.04 0.07 0.55 -0.75 4.35 4.26 3lc6A1 LEU 8 HB2 0.04 0.13 0.26 -0.04 1.64 2.02 3lc6A1 LEU 8 HB3 0.04 0.06 0.22 -0.04 1.64 1.92 3lc6A1 LEU 8 HG 0.04 0.03 -0.08 -0.04 1.64 1.59 3lc6A1 LEU 8 HD13 0.03 -0.01 0.09 -0.04 0.93 1.00 3lc6A1 LEU 8 HD23 0.03 -0.01 0.03 -0.04 0.89 0.90 3lc6A1 ILE 9 H 0.06 0.25 -0.17 -0.55 8.25 7.83 3lc6A1 ILE 9 HA 0.07 0.13 0.43 -0.75 4.18 4.05 3lc6A1 ILE 9 HB 0.07 -0.11 0.05 -0.04 1.89 1.86 3lc6A1 ILE 9 HG12 0.07 0.04 0.09 -0.04 1.49 1.66 3lc6A1 ILE 9 HG13 0.09 0.38 0.27 -0.04 1.21 1.91 3lc6A1 ILE 9 HG23 0.05 0.01 -0.11 -0.04 0.93 0.84 3lc6A1 ILE 9 HD13 0.14 -0.01 0.04 -0.04 0.88 1.00 3lc6A1 ALA 10 H 0.10 0.11 -0.39 -0.55 8.40 7.67 3lc6A1 ALA 10 HA 0.31 0.01 0.24 -0.75 4.34 4.13 3lc6A1 ALA 10 HB3 0.20 0.04 0.02 -0.04 1.41 1.63 3lc6A1 GLN 11 H 0.07 0.54 -0.57 -0.55 8.47 7.96 3lc6A1 GLN 11 HA -0.00 0.06 0.52 -0.75 4.36 4.18 3lc6A1 GLN 11 HB2 0.04 0.34 0.15 -0.04 2.15 2.64 3lc6A1 GLN 11 HB3 0.03 0.01 -0.01 -0.04 2.02 2.01 3lc6A1 GLN 11 HG2 0.02 -0.03 0.02 -0.04 2.40 2.36 3lc6A1 GLN 11 HG3 0.00 0.01 0.02 -0.04 2.39 2.38 3lc6A1 GLN 11 HE21 0.03 -0.05 -0.04 -0.04 6.97 6.87 3lc6A1 GLN 11 HE22 0.01 0.03 -0.03 -0.04 7.69 7.67 3lc6A1 THR 12 H 0.08 0.50 -0.20 -0.55 8.28 8.10 3lc6A1 THR 12 HA 0.05 0.04 0.60 -0.75 4.39 4.33 3lc6A1 THR 12 HB 0.08 0.12 0.28 -0.04 4.32 4.76 3lc6A1 THR 12 HG23 0.06 -0.03 -0.11 -0.04 1.22 1.11 3lc6A1 ILE 13 H 0.16 0.57 0.06 -0.55 8.25 8.49 3lc6A1 ILE 13 HA 0.25 0.05 0.56 -0.75 4.18 4.29 3lc6A1 ILE 13 HB 0.13 0.02 0.03 -0.04 1.89 2.04 3lc6A1 ILE 13 HG12 0.39 0.01 -0.08 -0.04 1.49 1.78 3lc6A1 ILE 13 HG13 0.30 -0.02 0.08 -0.04 1.21 1.53 3lc6A1 ILE 13 HG23 0.31 0.10 -0.08 -0.04 0.93 1.21 3lc6A1 ILE 13 HD13 -0.29 0.01 0.03 -0.04 0.88 0.59 3lc6A1 LEU 14 H 0.14 0.25 -0.54 -0.55 8.37 7.67 3lc6A1 LEU 14 HA 0.23 0.08 0.79 -0.75 4.35 4.69 3lc6A1 LEU 14 HB2 -0.29 0.07 0.09 -0.04 1.64 1.47 3lc6A1 LEU 14 HB3 -0.10 0.13 0.07 -0.04 1.64 1.70 3lc6A1 LEU 14 HG -0.12 -0.02 0.10 -0.04 1.64 1.56 3lc6A1 LEU 14 HD13 0.17 -0.04 0.15 -0.04 0.93 1.17 3lc6A1 LEU 14 HD23 -0.92 0.01 0.01 -0.04 0.89 -0.05 3lc6A1 GLN 15 H 0.02 0.26 -0.26 -0.55 8.47 7.95 3lc6A1 GLN 15 HA -0.08 0.12 0.82 -0.75 4.36 4.46 3lc6A1 GLN 15 HB2 -0.03 -0.05 0.13 -0.04 2.15 2.16 3lc6A1 GLN 15 HB3 -0.00 0.21 0.15 -0.04 2.02 2.33 3lc6A1 GLN 15 HG2 0.02 0.19 0.18 -0.04 2.40 2.74 3lc6A1 GLN 15 HG3 -0.01 -0.04 -0.49 -0.04 2.39 1.81 3lc6A1 GLN 15 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.91 3lc6A1 GLN 15 HE22 0.03 0.03 0.03 -0.04 7.69 7.74 3lc6A1 GLY 16 H -0.06 0.15 -0.22 -0.55 8.43 7.75 3lc6A1 GLY 16 HA2 -0.10 0.12 0.65 -0.51 4.01 4.17 3lc6A1 GLY 16 HA3 -0.18 0.14 0.32 -0.51 4.01 3.78 3lc6A1 PHE 17 H -0.63 0.30 -0.13 -0.55 8.34 7.33 3lc6A1 PHE 17 HA -0.99 0.06 0.43 -0.75 4.62 3.37 3lc6A1 PHE 17 HB2 -0.26 0.05 0.15 -0.04 3.15 3.05 3lc6A1 PHE 17 HB3 -0.24 0.06 0.18 -0.04 3.06 3.02 3lc6A1 PHE 17 HD2 0.00 0.05 -0.03 -0.04 7.28 7.27 3lc6A1 PHE 17 HE2 0.09 0.00 -0.07 -0.04 7.38 7.37 3lc6A1 PHE 17 HZ -0.21 -0.01 -0.04 -0.04 7.32 7.02 3lc6A1 ASP 18 H -0.38 0.27 -0.38 -0.55 8.40 7.36 3lc6A1 ASP 18 HA -1.33 0.02 0.20 -0.75 4.63 2.76 3lc6A1 ASP 18 HB2 -0.20 0.07 0.22 -0.04 2.71 2.76 3lc6A1 ASP 18 HB3 -0.23 0.02 -0.00 -0.04 2.70 2.44 3lc6A1 ALA 19 H -0.37 0.35 -0.73 -0.55 8.40 7.11 3lc6A1 ALA 19 HA -0.23 0.03 0.71 -0.75 4.34 4.09 3lc6A1 ALA 19 HB3 -0.26 0.04 0.14 -0.04 1.41 1.29 3lc6A1 GLN 20 H -0.60 0.82 0.15 -0.55 8.47 8.30 3lc6A1 GLN 20 HA -0.61 -0.02 0.20 -0.75 4.36 3.17 3lc6A1 GLN 20 HB2 0.15 -0.06 -0.02 -0.04 2.15 2.17 3lc6A1 GLN 20 HB3 -0.21 0.13 0.14 -0.04 2.02 2.04 3lc6A1 GLN 20 HG2 -0.04 -0.06 0.02 -0.04 2.40 2.28 3lc6A1 GLN 20 HG3 -0.02 0.13 0.12 -0.04 2.39 2.58 3lc6A1 GLN 20 HE21 -0.28 -0.02 -0.10 -0.04 6.97 6.53 3lc6A1 GLN 20 HE22 0.24 -0.02 -0.08 -0.04 7.69 7.79 3lc6A1 TYR 21 H -0.24 0.71 -0.40 -0.55 8.29 7.81 3lc6A1 TYR 21 HA 0.01 -0.00 0.53 -0.75 4.56 4.34 3lc6A1 TYR 21 HB2 -0.22 0.01 -0.04 -0.04 3.06 2.77 3lc6A1 TYR 21 HB3 -0.37 0.10 -0.10 -0.04 2.98 2.58 3lc6A1 TYR 21 HD2 0.14 -0.02 0.00 -0.04 7.15 7.24 3lc6A1 TYR 21 HE2 -0.01 -0.04 0.05 -0.04 6.85 6.80 3lc6A1 GLY 22 H -0.15 0.24 -0.37 -0.55 8.43 7.60 3lc6A1 GLY 22 HA2 0.02 -0.01 0.55 -0.51 4.01 4.06 3lc6A1 GLY 22 HA3 -0.05 0.04 0.44 -0.51 4.01 3.94 3lc6A1 ARG 23 H 0.06 0.41 -0.08 -0.55 8.46 8.30 3lc6A1 ARG 23 HA 0.09 0.09 0.68 -0.75 4.34 4.44 3lc6A1 ARG 23 HB2 0.17 0.02 0.05 -0.04 1.90 2.09 3lc6A1 ARG 23 HB3 0.19 0.07 -0.00 -0.04 1.80 2.01 3lc6A1 ARG 23 HG2 0.07 -0.05 0.05 -0.04 1.67 1.70 3lc6A1 ARG 23 HG3 0.07 -0.00 0.04 -0.04 1.67 1.74 3lc6A1 ARG 23 HD2 0.07 -0.01 -0.01 -0.04 3.22 3.23 3lc6A1 ARG 23 HD3 0.14 0.01 -0.01 -0.04 3.22 3.32 3lc6A1 PHE 24 H 0.19 0.24 -0.36 -0.55 8.34 7.85 3lc6A1 PHE 24 HA -0.02 0.04 0.41 -0.75 4.62 4.30 3lc6A1 PHE 24 HB2 -0.21 0.12 0.27 -0.04 3.15 3.29 3lc6A1 PHE 24 HB3 -0.28 0.15 0.21 -0.04 3.06 3.10 3lc6A1 PHE 24 HD2 -0.24 0.03 0.02 -0.04 7.28 7.05 3lc6A1 PHE 24 HE2 -0.07 0.07 0.01 -0.04 7.38 7.35 3lc6A1 PHE 24 HZ -0.04 -0.01 -0.14 -0.04 7.32 7.09 3lc6A1 LEU 25 H 0.18 0.40 -0.27 -0.55 8.37 8.14 3lc6A1 LEU 25 HA -0.02 0.05 0.30 -0.75 4.35 3.92 3lc6A1 LEU 25 HB2 0.26 0.01 -0.07 -0.04 1.64 1.79 3lc6A1 LEU 25 HB3 -0.15 -0.03 -0.06 -0.04 1.64 1.36 3lc6A1 LEU 25 HG 0.36 0.06 0.08 -0.04 1.64 2.10 3lc6A1 LEU 25 HD13 0.18 -0.03 0.03 -0.04 0.93 1.07 3lc6A1 LEU 25 HD23 0.05 -0.02 -0.07 -0.04 0.89 0.82 3lc6A1 GLU 26 H 0.09 0.21 -0.37 -0.55 8.60 7.99 3lc6A1 GLU 26 HA 0.08 0.12 0.73 -0.75 4.29 4.46 3lc6A1 GLU 26 HB2 0.06 0.05 0.14 -0.04 2.09 2.29 3lc6A1 GLU 26 HB3 0.03 -0.02 -0.04 -0.04 1.99 1.91 3lc6A1 GLU 26 HG2 0.05 -0.02 0.05 -0.04 2.34 2.38 3lc6A1 GLU 26 HG3 0.09 0.08 0.04 -0.04 2.34 2.51 3lc6A1 VAL 27 H -0.01 0.59 -0.15 -0.55 8.24 8.12 3lc6A1 VAL 27 HA -0.04 0.01 0.36 -0.75 4.13 3.71 3lc6A1 VAL 27 HB -0.15 0.08 0.19 -0.04 2.12 2.20 3lc6A1 VAL 27 HG13 -0.05 -0.03 -0.02 -0.04 0.97 0.83 3lc6A1 VAL 27 HG23 -0.00 0.24 0.15 -0.04 0.95 1.30 3lc6A1 THR 28 H -0.15 0.59 0.07 -0.55 8.28 8.24 3lc6A1 THR 28 HA -0.10 0.01 0.18 -0.75 4.39 3.73 3lc6A1 THR 28 HB 0.08 0.01 -0.09 -0.04 4.32 4.28 3lc6A1 THR 28 HG23 -0.05 0.05 -0.26 -0.04 1.22 0.91 3lc6A1 SER 29 H 0.02 0.26 -1.28 -0.55 8.46 6.91 3lc6A1 SER 29 HA -0.02 0.04 0.56 -0.75 4.49 4.31 3lc6A1 SER 29 HB2 -0.28 -0.09 0.10 -0.04 3.95 3.65 3lc6A1 SER 29 HB3 0.09 0.50 0.15 -0.04 3.93 4.63 3lc6A1 GLY 30 H -0.07 0.46 -0.25 -0.55 8.43 8.02 3lc6A1 GLY 30 HA2 -0.08 0.10 0.88 -0.51 4.01 4.40 3lc6A1 GLY 30 HA3 -0.08 0.10 0.35 -0.51 4.01 3.87 3lc6A1 ALA 31 H -0.15 0.28 -0.03 -0.55 8.40 7.95 3lc6A1 ALA 31 HA -0.25 0.12 0.36 -0.75 4.34 3.82 3lc6A1 ALA 31 HB3 -0.30 0.06 0.07 -0.04 1.41 1.20 3lc6A1 GLN 32 H -0.22 0.09 -0.24 -0.55 8.47 7.56 3lc6A1 GLN 32 HA -0.23 0.20 0.64 -0.75 4.36 4.21 3lc6A1 GLN 32 HB2 0.02 0.03 0.06 -0.04 2.15 2.22 3lc6A1 GLN 32 HB3 -0.02 -0.02 -0.00 -0.04 2.02 1.94 3lc6A1 GLN 32 HG2 0.13 -0.01 -0.10 -0.04 2.40 2.37 3lc6A1 GLN 32 HG3 0.32 0.02 -0.02 -0.04 2.39 2.66 3lc6A1 GLN 32 HE21 0.05 0.11 -0.09 -0.04 6.97 7.00 3lc6A1 GLN 32 HE22 0.05 -0.05 -0.12 -0.04 7.69 7.52 3lc6A1 GLN 33 H -0.10 0.14 -0.08 -0.55 8.47 7.88 3lc6A1 GLN 33 HA -0.07 0.07 0.55 -0.75 4.36 4.15 3lc6A1 GLN 33 HB2 -0.07 0.03 0.13 -0.04 2.15 2.20 3lc6A1 GLN 33 HB3 -0.10 0.11 0.14 -0.04 2.02 2.13 3lc6A1 GLN 33 HG2 -0.10 -0.00 -0.21 -0.04 2.40 2.04 3lc6A1 GLN 33 HG3 -0.08 -0.03 0.05 -0.04 2.39 2.28 3lc6A1 GLN 33 HE21 -0.05 0.01 0.02 -0.04 6.97 6.92 3lc6A1 GLN 33 HE22 -0.05 -0.02 0.02 -0.04 7.69 7.60 3lc6A1 ARG 34 H -0.16 0.44 -0.13 -0.55 8.46 8.06 3lc6A1 ARG 34 HA -0.23 -0.09 0.17 -0.75 4.34 3.43 3lc6A1 ARG 34 HB2 -0.21 0.03 -0.03 -0.04 1.90 1.64 3lc6A1 ARG 34 HB3 -0.24 -0.04 0.05 -0.04 1.80 1.53 3lc6A1 ARG 34 HG2 -0.14 -0.15 0.03 -0.04 1.67 1.38 3lc6A1 ARG 34 HG3 -0.14 0.70 0.29 -0.04 1.67 2.48 3lc6A1 ARG 34 HD2 -0.11 -0.08 -0.08 -0.04 3.22 2.91 3lc6A1 ARG 34 HD3 -0.09 -0.05 -0.03 -0.04 3.22 3.00 3lc6A1 PHE 35 H -0.08 -0.05 -1.42 -0.55 8.34 6.23 3lc6A1 PHE 35 HA -0.45 0.11 0.68 -0.75 4.62 4.20 3lc6A1 PHE 35 HB2 -0.15 0.10 -0.06 -0.04 3.15 3.00 3lc6A1 PHE 35 HB3 -0.10 0.12 0.00 -0.04 3.06 3.05 3lc6A1 PHE 35 HD2 0.15 -0.00 -0.16 -0.04 7.28 7.23 3lc6A1 PHE 35 HE2 0.13 0.02 -0.23 -0.04 7.38 7.26 3lc6A1 PHE 35 HZ 0.01 -0.09 -0.37 -0.04 7.32 6.83 3lc6A1 GLU 36 H -0.08 0.19 0.09 -0.55 8.60 8.26 3lc6A1 GLU 36 HA -0.28 0.02 0.59 -0.75 4.29 3.85 3lc6A1 GLU 36 HB2 -0.10 -0.04 0.14 -0.04 2.09 2.05 3lc6A1 GLU 36 HB3 -0.11 -0.08 0.32 -0.04 1.99 2.08 3lc6A1 GLU 36 HG2 -0.15 0.01 -0.04 -0.04 2.34 2.12 3lc6A1 GLU 36 HG3 -0.10 0.03 0.06 -0.04 2.34 2.29 3lc6A1 GLN 37 H -0.17 0.52 0.22 -0.55 8.47 8.49 3lc6A1 GLN 37 HA -0.16 -0.06 0.37 -0.75 4.36 3.76 3lc6A1 GLN 37 HB2 -0.17 0.21 -0.19 -0.04 2.15 1.96 3lc6A1 GLN 37 HB3 -0.23 -0.12 -0.19 -0.04 2.02 1.44 3lc6A1 GLN 37 HG2 -0.12 -0.02 0.05 -0.04 2.40 2.27 3lc6A1 GLN 37 HG3 -0.10 -0.01 -0.02 -0.04 2.39 2.22 3lc6A1 GLN 37 HE21 -0.07 -0.00 -0.02 -0.04 6.97 6.84 3lc6A1 GLN 37 HE22 -0.08 0.01 -0.01 -0.04 7.69 7.58 3lc6A1 ALA 38 H -0.18 0.03 0.07 -0.55 8.40 7.77 3lc6A1 ALA 38 HA -0.52 0.42 0.75 -0.75 4.34 4.23 3lc6A1 ALA 38 HB3 -0.10 0.00 0.12 -0.04 1.41 1.39 3lc6A1 ASP 39 H -0.40 0.25 -0.40 -0.55 8.40 7.30 3lc6A1 ASP 39 HA -0.14 0.17 0.83 -0.75 4.63 4.73 3lc6A1 ASP 39 HB2 -0.14 0.00 0.01 -0.04 2.71 2.55 3lc6A1 ASP 39 HB3 -0.16 0.01 0.19 -0.04 2.70 2.70 3lc6A1 TRP 40 H 0.04 0.36 0.19 -0.55 7.97 8.01 3lc6A1 TRP 40 HA -0.07 0.06 0.84 -0.75 4.62 4.69 3lc6A1 TRP 40 HB2 -0.16 0.08 0.09 -0.04 3.23 3.20 3lc6A1 TRP 40 HB3 -0.13 0.02 0.10 -0.04 3.23 3.18 3lc6A1 TRP 40 HD1 -0.04 -0.14 -0.03 -0.04 7.22 6.97 3lc6A1 TRP 40 HE1 0.08 0.21 -0.15 -0.04 10.20 10.31 3lc6A1 TRP 40 HE3 -0.11 0.01 -0.03 -0.04 7.59 7.41 3lc6A1 TRP 40 HZ2 0.22 0.06 -0.06 -0.04 7.44 7.62 3lc6A1 TRP 40 HZ3 -0.11 -0.05 -0.06 -0.04 7.13 6.87 3lc6A1 TRP 40 HH2 -0.20 -0.02 -0.09 -0.04 7.19 6.84 3lc6A1 HIS 41 H -0.05 0.12 0.00 -0.55 8.41 7.93 3lc6A1 HIS 41 HA 0.02 0.18 0.66 -0.75 4.63 4.73 3lc6A1 HIS 41 HB2 -0.01 -0.06 0.07 -0.04 3.26 3.22 3lc6A1 HIS 41 HB3 -0.01 0.04 -0.01 -0.04 3.20 3.18 3lc6A1 HIS 41 HD2 -0.01 0.03 0.06 -0.04 6.97 7.00 3lc6A1 HIS 41 HE1 0.01 0.02 0.03 -0.04 7.75 7.77 3lc6A1 ALA 42 H 0.02 0.08 -0.47 -0.55 8.40 7.48 3lc6A1 ALA 42 HA -0.00 0.07 0.29 -0.75 4.34 3.93 3lc6A1 ALA 42 HB3 -0.08 0.13 0.07 -0.04 1.41 1.50 3lc6A1 VAL 43 H -0.00 0.17 -0.01 -0.55 8.24 7.84 3lc6A1 VAL 43 HA -0.01 0.07 0.47 -0.75 4.13 3.91 3lc6A1 VAL 43 HB 0.44 -0.02 0.13 -0.04 2.12 2.63 3lc6A1 VAL 43 HG13 0.22 -0.00 -0.17 -0.04 0.97 0.98 3lc6A1 VAL 43 HG23 -0.03 0.06 -0.05 -0.04 0.95 0.89 3lc6A1 GLN 44 H 0.08 0.37 -0.29 -0.55 8.47 8.08 3lc6A1 GLN 44 HA -0.03 0.06 0.64 -0.75 4.36 4.27 3lc6A1 GLN 44 HB2 0.01 0.11 0.08 -0.04 2.15 2.31 3lc6A1 GLN 44 HB3 -0.08 -0.04 0.13 -0.04 2.02 1.99 3lc6A1 GLN 44 HG2 0.07 0.33 0.16 -0.04 2.40 2.91 3lc6A1 GLN 44 HG3 -0.04 0.01 0.08 -0.04 2.39 2.39 3lc6A1 GLN 44 HE21 -0.04 -0.12 0.00 -0.04 6.97 6.78 3lc6A1 GLN 44 HE22 -0.03 0.07 0.02 -0.04 7.69 7.70 3lc6A1 GLN 45 H -0.00 0.25 -0.42 -0.55 8.47 7.75 3lc6A1 GLN 45 HA -0.04 0.18 0.89 -0.75 4.36 4.63 3lc6A1 GLN 45 HB2 -0.01 0.06 0.04 -0.04 2.15 2.19 3lc6A1 GLN 45 HB3 -0.02 -0.06 0.08 -0.04 2.02 1.98 3lc6A1 GLN 45 HG2 -0.03 0.01 -0.10 -0.04 2.40 2.24 3lc6A1 GLN 45 HG3 0.00 0.20 -0.04 -0.04 2.39 2.51 3lc6A1 GLN 45 HE21 -0.05 -0.03 -0.04 -0.04 6.97 6.81 3lc6A1 GLN 45 HE22 -0.04 0.01 -0.04 -0.04 7.69 7.58 3lc6A1 ALA 46 H -0.03 0.28 -0.28 -0.55 8.40 7.82 3lc6A1 ALA 46 HA -0.05 0.10 0.61 -0.75 4.34 4.24 3lc6A1 ALA 46 HB3 -0.05 0.05 0.04 -0.04 1.41 1.42 3lc6A1 MET 47 H -0.05 0.28 -0.00 -0.55 8.47 8.15 3lc6A1 MET 47 HA -0.06 0.07 0.55 -0.75 4.52 4.33 3lc6A1 MET 47 HB2 -0.07 0.06 0.05 -0.04 2.15 2.15 3lc6A1 MET 47 HB3 -0.06 0.03 0.12 -0.04 2.03 2.08 3lc6A1 MET 47 HG2 -0.07 0.00 0.03 -0.04 2.63 2.55 3lc6A1 MET 47 HG3 -0.09 -0.23 0.06 -0.04 2.56 2.26 3lc6A1 MET 47 HE3 -0.10 -0.06 0.02 -0.04 2.10 1.92 3lc6A1 LYS 48 H -0.09 0.21 -0.35 -0.55 8.42 7.64 3lc6A1 LYS 48 HA -0.26 0.01 0.26 -0.75 4.32 3.57 3lc6A1 LYS 48 HB2 -0.06 0.03 -0.08 -0.04 1.87 1.72 3lc6A1 LYS 48 HB3 -0.02 -0.01 -0.05 -0.04 1.79 1.67 3lc6A1 LYS 48 HG2 -0.03 -0.09 -0.01 -0.04 1.46 1.29 3lc6A1 LYS 48 HG3 -0.07 0.19 0.01 -0.04 1.46 1.55 3lc6A1 LYS 48 HD2 -0.04 -0.01 -0.07 -0.04 1.69 1.52 3lc6A1 LYS 48 HD3 -0.04 0.05 0.04 -0.04 1.68 1.69 3lc6A1 LYS 48 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3lc6A1 LYS 48 HE3 0.06 -0.00 -0.02 -0.04 2.99 2.98 3lc6A1 ASN 49 H -0.08 0.21 -0.57 -0.55 8.53 7.54 3lc6A1 ASN 49 HA 0.00 0.10 0.96 -0.75 4.76 5.07 3lc6A1 ASN 49 HB2 -0.03 0.10 0.15 -0.04 2.88 3.05 3lc6A1 ASN 49 HB3 -0.01 -0.09 0.08 -0.04 2.79 2.73 3lc6A1 ASN 49 HD21 -0.01 -0.04 -0.03 -0.04 7.03 6.91 3lc6A1 ASN 49 HD22 -0.02 -0.04 0.01 -0.04 7.74 7.65 3lc6A1 ARG 50 H -0.08 0.62 0.13 -0.55 8.46 8.59 3lc6A1 ARG 50 HA 0.05 -0.01 0.64 -0.75 4.34 4.27 3lc6A1 ARG 50 HB2 -0.04 0.10 0.35 -0.04 1.90 2.27 3lc6A1 ARG 50 HB3 0.05 -0.03 0.04 -0.04 1.80 1.82 3lc6A1 ARG 50 HG2 -0.17 -0.05 0.14 -0.04 1.67 1.55 3lc6A1 ARG 50 HG3 -0.14 0.02 0.03 -0.04 1.67 1.55 3lc6A1 ARG 50 HD2 -0.83 -0.05 0.09 -0.04 3.22 2.40 3lc6A1 ARG 50 HD3 -0.40 -0.03 0.05 -0.04 3.22 2.79 3lc6A1 ILE 51 H -0.13 0.62 0.01 -0.55 8.25 8.20 3lc6A1 ILE 51 HA 0.07 0.02 0.45 -0.75 4.18 3.97 3lc6A1 ILE 51 HB -0.34 0.03 -0.08 -0.04 1.89 1.47 3lc6A1 ILE 51 HG12 -0.09 0.18 -0.05 -0.04 1.49 1.48 3lc6A1 ILE 51 HG13 -0.12 -0.01 -0.14 -0.04 1.21 0.90 3lc6A1 ILE 51 HG23 0.04 -0.02 -0.05 -0.04 0.93 0.87 3lc6A1 ILE 51 HD13 0.02 0.02 0.04 -0.04 0.88 0.93 3lc6A1 HIS 52 H -0.06 0.19 -0.70 -0.55 8.41 7.30 3lc6A1 HIS 52 HA 0.10 0.08 0.42 -0.75 4.63 4.46 3lc6A1 HIS 52 HB2 -0.02 0.14 0.10 -0.04 3.26 3.44 3lc6A1 HIS 52 HB3 -0.01 -0.06 0.00 -0.04 3.20 3.09 3lc6A1 HIS 52 HD2 0.05 -0.04 -0.24 -0.04 6.97 6.70 3lc6A1 HIS 52 HE1 0.00 -0.08 0.02 -0.04 7.75 7.65 3lc6A1 LEU 53 H 0.18 0.42 -0.01 -0.55 8.37 8.42 3lc6A1 LEU 53 HA 0.28 0.01 0.35 -0.75 4.35 4.23 3lc6A1 LEU 53 HB2 0.28 0.10 0.18 -0.04 1.64 2.15 3lc6A1 LEU 53 HB3 0.42 0.03 0.04 -0.04 1.64 2.08 3lc6A1 LEU 53 HG 0.11 0.02 0.10 -0.04 1.64 1.83 3lc6A1 LEU 53 HD13 0.13 0.02 -0.06 -0.04 0.93 0.99 3lc6A1 LEU 53 HD23 0.33 -0.02 -0.00 -0.04 0.89 1.16 3lc6A1 TYR 54 H 0.39 0.30 -0.23 -0.55 8.29 8.19 3lc6A1 TYR 54 HA 0.36 0.01 0.37 -0.75 4.56 4.56 3lc6A1 TYR 54 HB2 0.17 0.05 0.12 -0.04 3.06 3.35 3lc6A1 TYR 54 HB3 0.16 0.08 0.10 -0.04 2.98 3.27 3lc6A1 TYR 54 HD2 0.09 0.01 -0.24 -0.04 7.15 6.97 3lc6A1 TYR 54 HE2 -0.03 -0.03 -0.06 -0.04 6.85 6.69 3lc6A1 ASP 55 H 0.35 0.30 -0.11 -0.55 8.40 8.40 3lc6A1 ASP 55 HA 0.25 -0.01 0.63 -0.75 4.63 4.75 3lc6A1 ASP 55 HB2 0.18 0.01 0.11 -0.04 2.71 2.98 3lc6A1 ASP 55 HB3 0.18 0.13 0.07 -0.04 2.70 3.04 3lc6A1 HIS 56 H 0.31 0.74 -0.05 -0.55 8.41 8.87 3lc6A1 HIS 56 HA 0.01 0.02 0.45 -0.75 4.63 4.36 3lc6A1 HIS 56 HB2 0.07 0.10 -0.21 -0.04 3.26 3.19 3lc6A1 HIS 56 HB3 -0.05 0.08 0.10 -0.04 3.20 3.29 3lc6A1 HIS 56 HD2 -0.03 0.00 0.01 -0.04 6.97 6.91 3lc6A1 HIS 56 HE1 -0.07 -0.02 -0.03 -0.04 7.75 7.59 3lc6A1 HIS 57 H 0.31 0.42 -0.40 -0.55 8.41 8.19 3lc6A1 HIS 57 HA 0.05 0.13 0.78 -0.75 4.63 4.84 3lc6A1 HIS 57 HB2 0.24 0.13 0.13 -0.04 3.26 3.72 3lc6A1 HIS 57 HB3 0.09 -0.04 0.10 -0.04 3.20 3.31 3lc6A1 HIS 57 HD2 0.00 -0.03 0.05 -0.04 6.97 6.94 3lc6A1 HIS 57 HE1 0.15 -0.03 -0.10 -0.04 7.75 7.73 3lc6A1 VAL 58 H 0.24 0.37 0.09 -0.55 8.24 8.39 3lc6A1 VAL 58 HA 0.20 0.06 0.89 -0.75 4.13 4.52 3lc6A1 VAL 58 HB -0.63 0.04 0.12 -0.04 2.12 1.61 3lc6A1 VAL 58 HG13 0.09 0.18 0.20 -0.04 0.97 1.40 3lc6A1 VAL 58 HG23 -0.07 -0.00 -0.13 -0.04 0.95 0.72 3lc6A1 GLY 59 H 0.08 0.62 -0.11 -0.55 8.43 8.47 3lc6A1 GLY 59 HA2 0.02 0.05 0.45 -0.51 4.01 4.02 3lc6A1 GLY 59 HA3 0.03 0.14 0.36 -0.51 4.01 4.02 3lc6A1 LEU 60 H 0.06 -0.03 -1.16 -0.55 8.37 6.69 3lc6A1 LEU 60 HA -0.00 0.16 0.58 -0.75 4.35 4.33 3lc6A1 LEU 60 HB2 -0.07 0.14 0.01 -0.04 1.64 1.68 3lc6A1 LEU 60 HB3 0.01 0.07 0.05 -0.04 1.64 1.72 3lc6A1 LEU 60 HG 0.02 -0.05 -0.21 -0.04 1.64 1.35 3lc6A1 LEU 60 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.91 3lc6A1 LEU 60 HD23 -0.02 0.01 -0.01 -0.04 0.89 0.84 3lc6A1 VAL 61 H 0.12 0.37 0.07 -0.55 8.24 8.25 3lc6A1 VAL 61 HA 0.07 0.06 0.43 -0.75 4.13 3.93 3lc6A1 VAL 61 HB 0.13 0.07 0.04 -0.04 2.12 2.33 3lc6A1 VAL 61 HG13 0.30 -0.05 0.31 -0.04 0.97 1.49 3lc6A1 VAL 61 HG23 0.17 -0.02 -0.08 -0.04 0.95 0.98 3lc6A1 VAL 62 H 0.05 0.63 -0.01 -0.55 8.24 8.37 3lc6A1 VAL 62 HA 0.01 0.02 0.45 -0.75 4.13 3.86 3lc6A1 VAL 62 HB 0.01 0.41 0.26 -0.04 2.12 2.76 3lc6A1 VAL 62 HG13 -0.01 -0.01 -0.22 -0.04 0.97 0.68 3lc6A1 VAL 62 HG23 -0.02 -0.03 0.06 -0.04 0.95 0.92 3lc6A1 GLU 63 H 0.01 0.04 -0.53 -0.55 8.60 7.58 3lc6A1 GLU 63 HA -0.01 0.08 0.42 -0.75 4.29 4.02 3lc6A1 GLU 63 HB2 -0.00 0.07 -0.03 -0.04 2.09 2.09 3lc6A1 GLU 63 HB3 -0.00 0.02 0.07 -0.04 1.99 2.03 3lc6A1 GLU 63 HG2 -0.01 -0.03 -0.05 -0.04 2.34 2.21 3lc6A1 GLU 63 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.28 3lc6A1 GLN 64 H 0.02 1.00 0.13 -0.55 8.47 9.07 3lc6A1 GLN 64 HA 0.01 -0.01 0.28 -0.75 4.36 3.89 3lc6A1 GLN 64 HB2 0.02 -0.05 0.09 -0.04 2.15 2.16 3lc6A1 GLN 64 HB3 0.02 0.04 0.07 -0.04 2.02 2.10 3lc6A1 GLN 64 HG2 0.04 0.10 -0.17 -0.04 2.40 2.34 3lc6A1 GLN 64 HG3 0.03 -0.04 -0.15 -0.04 2.39 2.19 3lc6A1 GLN 64 HE21 0.03 -0.01 -0.06 -0.04 6.97 6.89 3lc6A1 GLN 64 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.62 3lc6A1 LEU 65 H 0.02 0.27 -0.99 -0.55 8.37 7.13 3lc6A1 LEU 65 HA 0.03 -0.00 0.56 -0.75 4.35 4.18 3lc6A1 LEU 65 HB2 0.02 0.43 0.19 -0.04 1.64 2.24 3lc6A1 LEU 65 HB3 0.01 0.01 0.01 -0.04 1.64 1.63 3lc6A1 LEU 65 HG 0.05 -0.07 0.06 -0.04 1.64 1.63 3lc6A1 LEU 65 HD13 0.05 -0.03 -0.05 -0.04 0.93 0.86 3lc6A1 LEU 65 HD23 0.01 -0.03 -0.02 -0.04 0.89 0.82 3lc6A1 ARG 66 H 0.00 0.53 -0.03 -0.55 8.46 8.41 3lc6A1 ARG 66 HA -0.00 0.02 0.28 -0.75 4.34 3.89 3lc6A1 ARG 66 HB2 -0.01 0.13 0.12 -0.04 1.90 2.09 3lc6A1 ARG 66 HB3 -0.02 -0.07 0.09 -0.04 1.80 1.76 3lc6A1 ARG 66 HG2 -0.05 -0.04 0.07 -0.04 1.67 1.61 3lc6A1 ARG 66 HG3 -0.03 0.01 0.10 -0.04 1.67 1.72 3lc6A1 ARG 66 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.12 3lc6A1 ARG 66 HD3 -0.02 0.05 0.11 -0.04 3.22 3.32 3lc6A1 CYS 67 H 0.01 0.20 -0.67 -0.55 8.50 7.48 3lc6A1 CYS 67 HA -0.00 0.05 0.43 -0.75 4.58 4.31 3lc6A1 CYS 67 HB2 0.01 0.17 0.01 -0.04 2.97 3.11 3lc6A1 CYS 67 HB3 0.00 -0.05 0.00 -0.04 2.97 2.88 3lc6A1 ILE 68 H 0.02 0.35 -0.25 -0.55 8.25 7.81 3lc6A1 ILE 68 HA 0.00 0.04 0.09 -0.75 4.18 3.55 3lc6A1 ILE 68 HB 0.01 0.02 0.14 -0.04 1.89 2.03 3lc6A1 ILE 68 HG12 0.00 0.28 0.12 -0.04 1.49 1.85 3lc6A1 ILE 68 HG13 0.01 -0.06 0.05 -0.04 1.21 1.17 3lc6A1 ILE 68 HG23 0.01 -0.04 0.03 -0.04 0.93 0.88 3lc6A1 ILE 68 HD13 -0.00 -0.03 0.08 -0.04 0.88 0.89 3lc6A1 THR 69 H 0.01 0.30 -0.31 -0.55 8.28 7.72 3lc6A1 THR 69 HA 0.05 0.03 0.54 -0.75 4.39 4.25 3lc6A1 THR 69 HB 0.01 -0.01 0.10 -0.04 4.32 4.38 3lc6A1 THR 69 HG23 0.08 -0.03 0.05 -0.04 1.22 1.28 3lc6A1 ASN 70 H -0.01 -0.03 -0.01 -0.55 8.53 7.93 3lc6A1 ASN 70 HA -0.01 0.28 0.97 -0.75 4.76 5.24 3lc6A1 ASN 70 HB2 -0.02 0.02 -0.04 -0.04 2.88 2.80 3lc6A1 ASN 70 HB3 -0.01 0.12 0.02 -0.04 2.79 2.87 3lc6A1 ASN 70 HD21 -0.00 0.21 -0.19 -0.04 7.03 7.01 3lc6A1 ASN 70 HD22 -0.01 0.10 -0.10 -0.04 7.74 7.69 3lc6A1 GLY 71 H -0.03 0.01 0.08 -0.55 8.43 7.94 3lc6A1 GLY 71 HA2 -0.04 0.13 0.41 -0.51 4.01 4.00 3lc6A1 GLY 71 HA3 -0.06 0.01 0.34 -0.51 4.01 3.79 3lc6A1 GLN 72 H -0.16 0.11 -0.09 -0.55 8.47 7.77 3lc6A1 GLN 72 HA -0.13 0.28 0.77 -0.75 4.36 4.52 3lc6A1 GLN 72 HB2 -0.23 -0.02 0.01 -0.04 2.15 1.87 3lc6A1 GLN 72 HB3 -0.58 -0.02 0.11 -0.04 2.02 1.48 3lc6A1 GLN 72 HG2 -0.18 -0.05 0.00 -0.04 2.40 2.12 3lc6A1 GLN 72 HG3 -0.14 0.02 0.00 -0.04 2.39 2.23 3lc6A1 GLN 72 HE21 -0.04 0.02 -0.01 -0.04 6.97 6.91 3lc6A1 GLN 72 HE22 -0.04 -0.05 0.00 -0.04 7.69 7.56 3lc6A1 SER 73 H -0.06 0.32 -0.83 -0.55 8.46 7.35 3lc6A1 SER 73 HA 0.06 -0.06 -0.01 -0.75 4.49 3.72 3lc6A1 SER 73 HB2 0.00 -0.02 -0.74 -0.04 3.95 3.16 3lc6A1 SER 73 HB3 0.01 0.01 -0.09 -0.04 3.93 3.81 3lc6A1 THR 74 H 0.08 0.17 -0.32 -0.55 8.28 7.67 3lc6A1 THR 74 HA 0.61 0.09 0.62 -0.75 4.39 4.95 3lc6A1 THR 74 HB 0.11 -0.01 -0.05 -0.04 4.32 4.33 3lc6A1 THR 74 HG23 0.33 -0.02 -0.15 -0.04 1.22 1.33 3lc6A1 ASP 75 H 0.43 0.66 0.33 -0.55 8.40 9.27 3lc6A1 ASP 75 HA 0.13 0.16 0.26 -0.75 4.63 4.43 3lc6A1 ASP 75 HB2 0.19 -0.08 0.06 -0.04 2.71 2.84 3lc6A1 ASP 75 HB3 0.11 -0.09 0.21 -0.04 2.70 2.89 3lc6A1 ALA 76 H 0.09 0.27 0.13 -0.55 8.40 8.33 3lc6A1 ALA 76 HA 0.02 0.16 0.80 -0.75 4.34 4.57 3lc6A1 ALA 76 HB3 0.02 0.05 0.06 -0.04 1.41 1.50 3lc6A1 GLU 77 H 0.12 0.02 -0.21 -0.55 8.60 7.98 3lc6A1 GLU 77 HA 0.07 0.12 0.34 -0.75 4.29 4.07 3lc6A1 GLU 77 HB2 0.09 0.08 0.06 -0.04 2.09 2.28 3lc6A1 GLU 77 HB3 0.08 0.03 0.12 -0.04 1.99 2.18 3lc6A1 GLU 77 HG2 0.15 -0.01 0.04 -0.04 2.34 2.48 3lc6A1 GLU 77 HG3 0.29 -0.21 0.06 -0.04 2.34 2.44 3lc6A1 PHE 78 H 0.45 0.12 -0.26 -0.55 8.34 8.10 3lc6A1 PHE 78 HA 0.03 0.13 0.54 -0.75 4.62 4.56 3lc6A1 PHE 78 HB2 0.01 0.00 0.07 -0.04 3.15 3.19 3lc6A1 PHE 78 HB3 0.02 0.00 -0.00 -0.04 3.06 3.04 3lc6A1 PHE 78 HD2 0.01 -0.14 -0.04 -0.04 7.28 7.06 3lc6A1 PHE 78 HE2 0.03 -0.08 -0.20 -0.04 7.38 7.09 3lc6A1 PHE 78 HZ 0.04 0.27 -0.05 -0.04 7.32 7.54 3lc6A1 LEU 79 H -0.10 0.17 -0.23 -0.55 8.37 7.66 3lc6A1 LEU 79 HA -0.56 0.09 0.50 -0.75 4.35 3.63 3lc6A1 LEU 79 HB2 -0.07 -0.10 0.30 -0.04 1.64 1.73 3lc6A1 LEU 79 HB3 -0.06 0.04 0.12 -0.04 1.64 1.69 3lc6A1 LEU 79 HG -0.06 0.05 0.15 -0.04 1.64 1.73 3lc6A1 LEU 79 HD13 -0.22 -0.01 -0.03 -0.04 0.93 0.62 3lc6A1 LEU 79 HD23 -0.13 0.01 0.09 -0.04 0.89 0.82 3lc6A1 LEU 80 H -0.07 0.01 -0.96 -0.55 8.37 6.81 3lc6A1 LEU 80 HA -0.07 0.19 0.87 -0.75 4.35 4.58 3lc6A1 LEU 80 HB2 0.01 0.26 0.12 -0.04 1.64 1.99 3lc6A1 LEU 80 HB3 -0.01 -0.06 0.03 -0.04 1.64 1.56 3lc6A1 LEU 80 HG -0.04 0.05 -0.07 -0.04 1.64 1.54 3lc6A1 LEU 80 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 3lc6A1 LEU 80 HD23 -0.10 -0.04 0.04 -0.04 0.89 0.75 3lc6A1 ARG 81 H 0.02 0.18 0.11 -0.55 8.46 8.21 3lc6A1 ARG 81 HA 0.18 0.05 0.66 -0.75 4.34 4.48 3lc6A1 ARG 81 HB2 0.08 0.05 0.23 -0.04 1.90 2.22 3lc6A1 ARG 81 HB3 -0.02 0.02 0.08 -0.04 1.80 1.83 3lc6A1 ARG 81 HG2 0.27 0.00 0.10 -0.04 1.67 2.00 3lc6A1 ARG 81 HG3 0.13 0.02 0.08 -0.04 1.67 1.85 3lc6A1 ARG 81 HD2 0.12 -0.01 0.04 -0.04 3.22 3.33 3lc6A1 ARG 81 HD3 0.15 0.02 0.03 -0.04 3.22 3.38 3lc6A1 VAL 82 H -0.05 0.20 -0.46 -0.55 8.24 7.37 3lc6A1 VAL 82 HA 0.10 0.16 0.63 -0.75 4.13 4.26 3lc6A1 VAL 82 HB 0.06 0.12 -0.05 -0.04 2.12 2.21 3lc6A1 VAL 82 HG13 0.11 -0.02 -0.03 -0.04 0.97 0.99 3lc6A1 VAL 82 HG23 -0.22 0.04 0.06 -0.04 0.95 0.79 3lc6A1 LYS 83 H 0.00 0.14 -0.24 -0.55 8.42 7.77 3lc6A1 LYS 83 HA -0.26 0.04 0.44 -0.75 4.32 3.78 3lc6A1 LYS 83 HB2 -0.27 0.05 0.10 -0.04 1.87 1.71 3lc6A1 LYS 83 HB3 -0.12 0.08 0.16 -0.04 1.79 1.87 3lc6A1 LYS 83 HG2 -0.25 -0.04 -0.12 -0.04 1.46 1.01 3lc6A1 LYS 83 HG3 -0.96 -0.06 -0.15 -0.04 1.46 0.26 3lc6A1 LYS 83 HD2 -0.26 0.12 -0.08 -0.04 1.69 1.43 3lc6A1 LYS 83 HD3 -0.11 -0.02 -0.03 -0.04 1.68 1.48 3lc6A1 LYS 83 HE2 0.03 -0.05 -0.07 -0.04 2.99 2.87 3lc6A1 LYS 83 HE3 -0.14 0.13 -0.01 -0.04 2.99 2.93 3lc6A1 GLU 84 H 0.05 0.55 0.03 -0.55 8.60 8.69 3lc6A1 GLU 84 HA 0.07 0.04 0.53 -0.75 4.29 4.18 3lc6A1 GLU 84 HB2 0.04 -0.00 0.09 -0.04 2.09 2.17 3lc6A1 GLU 84 HB3 0.09 0.05 0.18 -0.04 1.99 2.27 3lc6A1 GLU 84 HG2 0.04 -0.03 0.02 -0.04 2.34 2.33 3lc6A1 GLU 84 HG3 -0.02 0.07 -0.57 -0.04 2.34 1.78 3lc6A1 HIS 85 H 0.33 0.54 -0.04 -0.55 8.41 8.70 3lc6A1 HIS 85 HA 0.05 -0.05 0.26 -0.75 4.63 4.14 3lc6A1 HIS 85 HB2 0.10 0.18 0.34 -0.04 3.26 3.84 3lc6A1 HIS 85 HB3 0.08 -0.11 0.09 -0.04 3.20 3.21 3lc6A1 HIS 85 HD2 0.05 -0.07 -0.02 -0.04 6.97 6.89 3lc6A1 HIS 85 HE1 0.06 -0.04 0.01 -0.04 7.75 7.73 3lc6A1 TYR 86 H 0.34 0.51 -0.37 -0.55 8.29 8.22 3lc6A1 TYR 86 HA 0.11 -0.02 0.39 -0.75 4.56 4.29 3lc6A1 TYR 86 HB2 0.25 0.01 0.16 -0.04 3.06 3.44 3lc6A1 TYR 86 HB3 0.24 0.07 0.16 -0.04 2.98 3.41 3lc6A1 TYR 86 HD2 0.22 -0.02 -0.23 -0.04 7.15 7.08 3lc6A1 TYR 86 HE2 0.10 -0.09 -0.26 -0.04 6.85 6.56 3lc6A1 THR 87 H 0.30 0.63 0.01 -0.55 8.28 8.67 3lc6A1 THR 87 HA 0.13 -0.01 0.46 -0.75 4.39 4.22 3lc6A1 THR 87 HB 0.05 -0.05 -0.09 -0.04 4.32 4.19 3lc6A1 THR 87 HG23 0.23 -0.02 0.05 -0.04 1.22 1.44 3lc6A1 ARG 88 H 0.05 0.64 -0.07 -0.55 8.46 8.52 3lc6A1 ARG 88 HA -0.02 -0.01 0.27 -0.75 4.34 3.83 3lc6A1 ARG 88 HB2 -0.04 0.12 -0.01 -0.04 1.90 1.93 3lc6A1 ARG 88 HB3 -0.04 -0.07 0.08 -0.04 1.80 1.73 3lc6A1 ARG 88 HG2 0.00 0.12 0.01 -0.04 1.67 1.76 3lc6A1 ARG 88 HG3 -0.06 -0.08 -0.12 -0.04 1.67 1.37 3lc6A1 ARG 88 HD2 -0.03 -0.03 -0.02 -0.04 3.22 3.09 3lc6A1 ARG 88 HD3 -0.02 0.02 -0.00 -0.04 3.22 3.17 3lc6A1 LEU 89 H -0.05 0.27 -1.14 -0.55 8.37 6.89 3lc6A1 LEU 89 HA -0.07 0.04 0.52 -0.75 4.35 4.09 3lc6A1 LEU 89 HB2 -0.21 0.33 0.10 -0.04 1.64 1.81 3lc6A1 LEU 89 HB3 -0.22 -0.10 0.17 -0.04 1.64 1.45 3lc6A1 LEU 89 HG -0.03 0.29 0.00 -0.04 1.64 1.86 3lc6A1 LEU 89 HD13 -0.08 -0.04 -0.08 -0.04 0.93 0.70 3lc6A1 LEU 89 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.74 3lc6A1 LEU 90 H -0.09 0.44 -0.27 -0.55 8.37 7.90 3lc6A1 LEU 90 HA -0.12 0.11 0.90 -0.75 4.35 4.48 3lc6A1 LEU 90 HB2 -0.07 0.08 0.18 -0.04 1.64 1.79 3lc6A1 LEU 90 HB3 -0.01 -0.14 0.21 -0.04 1.64 1.67 3lc6A1 LEU 90 HG -0.54 0.10 -0.43 -0.04 1.64 0.73 3lc6A1 LEU 90 HD13 -0.09 -0.02 0.05 -0.04 0.93 0.84 3lc6A1 LEU 90 HD23 -0.24 -0.04 -0.01 -0.04 0.89 0.56 3lc6A1 PRO 91 HA -0.10 0.17 0.64 -0.51 4.44 4.65 3lc6A1 PRO 91 HB2 -0.02 -0.01 -0.03 -0.04 2.28 2.18 3lc6A1 PRO 91 HB3 -0.04 0.03 0.06 -0.04 2.02 2.03 3lc6A1 PRO 91 HG2 -0.01 0.04 0.04 -0.04 2.03 2.05 3lc6A1 PRO 91 HG3 -0.03 0.10 0.00 -0.04 2.03 2.05 3lc6A1 PRO 91 HD2 0.03 0.05 -0.06 -0.04 3.68 3.66 3lc6A1 PRO 91 HD3 -0.04 0.09 -0.23 -0.04 3.65 3.43 3lc6A1 ASP 92 H 0.06 0.19 -0.14 -0.55 8.40 7.97 3lc6A1 ASP 92 HA -0.01 0.24 0.62 -0.75 4.63 4.71 3lc6A1 ASP 92 HB2 -0.00 -0.00 0.02 -0.04 2.71 2.68 3lc6A1 ASP 92 HB3 0.00 -0.01 0.18 -0.04 2.70 2.84 3lc6A1 TYR 93 H 0.14 0.27 -0.64 -0.55 8.29 7.50 3lc6A1 TYR 93 HA 0.03 0.19 0.68 -0.75 4.56 4.71 3lc6A1 TYR 93 HB2 -0.00 -0.02 0.09 -0.04 3.06 3.09 3lc6A1 TYR 93 HB3 0.09 -0.13 0.08 -0.04 2.98 2.98 3lc6A1 TYR 93 HD2 0.03 -0.11 -0.10 -0.04 7.15 6.93 3lc6A1 TYR 93 HE2 0.13 -0.02 0.04 -0.04 6.85 6.96 3lc6A1 PRO 94 HA 0.22 0.13 0.33 -0.51 4.44 4.61 3lc6A1 PRO 94 HB2 0.06 0.04 0.03 -0.04 2.28 2.38 3lc6A1 PRO 94 HB3 0.04 0.07 0.06 -0.04 2.02 2.15 3lc6A1 PRO 94 HG2 -0.04 0.03 0.03 -0.04 2.03 2.02 3lc6A1 PRO 94 HG3 -0.05 0.10 0.04 -0.04 2.03 2.08 3lc6A1 PRO 94 HD2 -0.19 0.07 0.12 -0.04 3.68 3.64 3lc6A1 PRO 94 HD3 -0.10 0.37 -0.03 -0.04 3.65 3.85 3lc6A1 ARG 95 H 0.07 0.20 -0.27 -0.55 8.46 7.90 3lc6A1 ARG 95 HA -0.03 0.08 0.71 -0.75 4.34 4.34 3lc6A1 ARG 95 HB2 0.06 0.05 0.06 -0.04 1.90 2.03 3lc6A1 ARG 95 HB3 -0.03 -0.07 0.18 -0.04 1.80 1.84 3lc6A1 ARG 95 HG2 -0.25 -0.05 0.09 -0.04 1.67 1.43 3lc6A1 ARG 95 HG3 -0.08 -0.02 0.05 -0.04 1.67 1.58 3lc6A1 ARG 95 HD2 -0.14 -0.06 0.05 -0.04 3.22 3.02 3lc6A1 ARG 95 HD3 -0.64 -0.05 0.07 -0.04 3.22 2.56 3lc6A1 PHE 96 H 0.44 0.40 -0.58 -0.55 8.34 8.04 3lc6A1 PHE 96 HA -0.05 0.05 0.43 -0.75 4.62 4.30 3lc6A1 PHE 96 HB2 -0.05 -0.01 0.12 -0.04 3.15 3.18 3lc6A1 PHE 96 HB3 0.07 0.51 0.24 -0.04 3.06 3.84 3lc6A1 PHE 96 HD2 -0.02 0.01 -0.01 -0.04 7.28 7.21 3lc6A1 PHE 96 HE2 0.05 -0.04 -0.00 -0.04 7.38 7.35 3lc6A1 PHE 96 HZ 0.10 0.13 0.02 -0.04 7.32 7.52 3lc6A1 GLU 97 H -0.98 0.21 -0.11 -0.55 8.60 7.17 3lc6A1 GLU 97 HA -0.44 0.09 0.38 -0.75 4.29 3.56 3lc6A1 GLU 97 HB2 0.04 0.04 0.05 -0.04 2.09 2.18 3lc6A1 GLU 97 HB3 -0.70 0.09 0.11 -0.04 1.99 1.45 3lc6A1 GLU 97 HG2 -0.22 -0.04 -0.06 -0.04 2.34 1.98 3lc6A1 GLU 97 HG3 -0.56 0.05 -0.02 -0.04 2.34 1.76 3lc6A1 ILE 98 H -0.21 0.16 -0.30 -0.55 8.25 7.35 3lc6A1 ILE 98 HA -0.03 0.07 0.64 -0.75 4.18 4.10 3lc6A1 ILE 98 HB 0.03 -0.03 0.01 -0.04 1.89 1.86 3lc6A1 ILE 98 HG12 0.16 0.06 -0.10 -0.04 1.49 1.57 3lc6A1 ILE 98 HG13 0.17 -0.06 0.05 -0.04 1.21 1.33 3lc6A1 ILE 98 HG23 -0.05 0.03 -0.02 -0.04 0.93 0.85 3lc6A1 ILE 98 HD13 0.14 0.00 -0.03 -0.04 0.88 0.95 3lc6A1 ALA 99 H -0.39 0.24 -0.18 -0.55 8.40 7.51 3lc6A1 ALA 99 HA -0.84 0.02 0.64 -0.75 4.34 3.40 3lc6A1 ALA 99 HB3 -0.25 0.06 0.12 -0.04 1.41 1.30 3lc6A1 GLU 100 H -0.18 0.71 -0.06 -0.55 8.60 8.53 3lc6A1 GLU 100 HA -0.25 0.07 0.61 -0.75 4.29 3.97 3lc6A1 GLU 100 HB2 -0.26 0.22 0.17 -0.04 2.09 2.17 3lc6A1 GLU 100 HB3 -0.40 -0.05 -0.02 -0.04 1.99 1.48 3lc6A1 GLU 100 HG2 -1.42 -0.01 0.06 -0.04 2.34 0.93 3lc6A1 GLU 100 HG3 -0.30 0.19 0.08 -0.04 2.34 2.26 3lc6A1 SER 101 H -0.09 0.21 -0.20 -0.55 8.46 7.84 3lc6A1 SER 101 HA -0.03 0.06 0.39 -0.75 4.49 4.16 3lc6A1 SER 101 HB2 -0.31 0.14 0.20 -0.04 3.95 3.94 3lc6A1 SER 101 HB3 0.04 0.03 0.07 -0.04 3.93 4.04 3lc6A1 PHE 102 H 0.22 0.37 -0.39 -0.55 8.34 7.98 3lc6A1 PHE 102 HA 0.13 0.03 0.53 -0.75 4.62 4.56 3lc6A1 PHE 102 HB2 0.01 0.07 0.15 -0.04 3.15 3.34 3lc6A1 PHE 102 HB3 0.14 0.15 0.08 -0.04 3.06 3.39 3lc6A1 PHE 102 HD2 -0.30 0.08 -0.06 -0.04 7.28 6.96 3lc6A1 PHE 102 HE2 -0.08 0.05 0.02 -0.04 7.38 7.33 3lc6A1 PHE 102 HZ 0.05 0.08 -0.71 -0.04 7.32 6.70 3lc6A1 PHE 103 H 0.35 0.32 -0.33 -0.55 8.34 8.12 3lc6A1 PHE 103 HA 0.04 0.01 0.45 -0.75 4.62 4.36 3lc6A1 PHE 103 HB2 -0.37 0.06 0.14 -0.04 3.15 2.94 3lc6A1 PHE 103 HB3 0.07 0.35 0.26 -0.04 3.06 3.70 3lc6A1 PHE 103 HD2 -0.52 0.04 -0.27 -0.04 7.28 6.49 3lc6A1 PHE 103 HE2 -0.42 0.03 -0.15 -0.04 7.38 6.80 3lc6A1 PHE 103 HZ -0.40 0.06 -0.10 -0.04 7.32 6.84 3lc6A1 ASN 104 H 0.23 0.35 -0.16 -0.55 8.53 8.41 3lc6A1 ASN 104 HA 0.12 -0.02 0.36 -0.75 4.76 4.46 3lc6A1 ASN 104 HB2 -0.01 0.07 0.19 -0.04 2.88 3.09 3lc6A1 ASN 104 HB3 -0.07 -0.01 0.06 -0.04 2.79 2.73 3lc6A1 ASN 104 HD21 0.07 0.11 0.25 -0.04 7.03 7.42 3lc6A1 ASN 104 HD22 -0.07 -0.20 0.02 -0.04 7.74 7.45 3lc6A1 SER 105 H 0.01 0.36 -0.05 -0.55 8.46 8.24 3lc6A1 SER 105 HA -0.10 -0.00 0.26 -0.75 4.49 3.89 3lc6A1 SER 105 HB2 0.02 0.03 0.14 -0.04 3.95 4.10 3lc6A1 SER 105 HB3 0.07 0.06 0.04 -0.04 3.93 4.06 3lc6A1 VAL 106 H -0.13 0.32 -0.64 -0.55 8.24 7.24 3lc6A1 VAL 106 HA -0.08 0.05 0.64 -0.75 4.13 3.99 3lc6A1 VAL 106 HB -0.23 0.19 0.25 -0.04 2.12 2.29 3lc6A1 VAL 106 HG13 -0.07 -0.02 -0.11 -0.04 0.97 0.72 3lc6A1 VAL 106 HG23 -0.24 0.06 0.10 -0.04 0.95 0.83 3lc6A1 TYR 107 H -0.13 0.54 0.18 -0.55 8.29 8.33 3lc6A1 TYR 107 HA -0.06 0.01 0.46 -0.75 4.56 4.22 3lc6A1 TYR 107 HB2 -0.38 0.04 0.20 -0.04 3.06 2.88 3lc6A1 TYR 107 HB3 -0.16 0.02 0.22 -0.04 2.98 3.03 3lc6A1 TYR 107 HD2 -0.30 -0.04 -0.05 -0.04 7.15 6.71 3lc6A1 TYR 107 HE2 -0.41 -0.08 0.00 -0.04 6.85 6.32 3lc6A1 CYS 108 H 0.06 0.62 -0.08 -0.55 8.50 8.55 3lc6A1 CYS 108 HA 0.10 -0.09 0.24 -0.75 4.58 4.08 3lc6A1 CYS 108 HB2 -0.27 0.15 0.01 -0.04 2.97 2.82 3lc6A1 CYS 108 HB3 -0.77 -0.04 0.03 -0.04 2.97 2.15 3lc6A1 ARG 109 H 0.05 0.40 -0.67 -0.55 8.46 7.69 3lc6A1 ARG 109 HA 0.13 0.04 0.85 -0.75 4.34 4.60 3lc6A1 ARG 109 HB2 0.02 0.10 0.26 -0.04 1.90 2.24 3lc6A1 ARG 109 HB3 0.02 -0.07 0.06 -0.04 1.80 1.77 3lc6A1 ARG 109 HG2 0.08 0.83 0.25 -0.04 1.67 2.79 3lc6A1 ARG 109 HG3 0.05 -0.12 0.04 -0.04 1.67 1.61 3lc6A1 ARG 109 HD2 0.07 -0.03 0.05 -0.04 3.22 3.27 3lc6A1 ARG 109 HD3 0.27 -0.05 -0.13 -0.04 3.22 3.27 3lc6A1 LEU 110 H 0.03 0.65 0.20 -0.55 8.37 8.70 3lc6A1 LEU 110 HA -0.16 0.07 0.60 -0.75 4.35 4.11 3lc6A1 LEU 110 HB2 0.12 0.05 0.18 -0.04 1.64 1.96 3lc6A1 LEU 110 HB3 -0.40 -0.04 0.10 -0.04 1.64 1.25 3lc6A1 LEU 110 HG -0.03 0.02 0.07 -0.04 1.64 1.65 3lc6A1 LEU 110 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.89 3lc6A1 LEU 110 HD23 -0.08 0.03 0.06 -0.04 0.89 0.86 3lc6A1 PHE 111 H 0.10 0.30 -0.34 -0.55 8.34 7.86 3lc6A1 PHE 111 HA -0.12 0.22 0.76 -0.75 4.62 4.73 3lc6A1 PHE 111 HB2 -0.35 -0.00 -0.04 -0.04 3.15 2.72 3lc6A1 PHE 111 HB3 -0.18 -0.10 0.13 -0.04 3.06 2.87 3lc6A1 PHE 111 HD2 -0.37 0.14 0.02 -0.04 7.28 7.03 3lc6A1 PHE 111 HE2 -0.25 -0.04 -0.03 -0.04 7.38 7.02 3lc6A1 PHE 111 HZ -0.18 0.00 -0.00 -0.04 7.32 7.10 3lc6A1 ASP 112 H 0.01 0.30 -0.33 -0.55 8.40 7.83 3lc6A1 ASP 112 HA 0.05 0.06 0.28 -0.75 4.63 4.26 3lc6A1 ASP 112 HB2 0.01 -0.03 -0.29 -0.04 2.71 2.35 3lc6A1 ASP 112 HB3 0.06 0.07 -0.06 -0.04 2.70 2.72 3lc6A1 HIS 113 H 0.23 1.45 0.19 -0.55 8.41 9.73 3lc6A1 HIS 113 HA 0.06 -0.16 0.38 -0.75 4.63 4.16 3lc6A1 HIS 113 HB2 0.05 0.08 -0.17 -0.04 3.26 3.19 3lc6A1 HIS 113 HB3 0.05 -0.08 0.40 -0.04 3.20 3.53 3lc6A1 HIS 113 HD2 0.03 0.32 -0.28 -0.04 6.97 7.00 3lc6A1 HIS 113 HE1 0.08 0.22 0.05 -0.04 7.75 8.06 3lc6A1 ARG 114 H 0.14 0.02 -0.20 -0.55 8.46 7.87 3lc6A1 ARG 114 HA 0.07 0.17 0.92 -0.75 4.34 4.75 3lc6A1 ARG 114 HB2 0.08 0.01 -0.11 -0.04 1.90 1.84 3lc6A1 ARG 114 HB3 0.09 0.09 -0.18 -0.04 1.80 1.76 3lc6A1 ARG 114 HG2 0.06 -0.09 -0.03 -0.04 1.67 1.57 3lc6A1 ARG 114 HG3 0.06 -0.05 -0.10 -0.04 1.67 1.53 3lc6A1 ARG 114 HD2 0.10 0.23 -0.19 -0.04 3.22 3.32 3lc6A1 ARG 114 HD3 0.11 -0.06 -0.76 -0.04 3.22 2.46 3lc6A1 SER 115 H 0.17 -0.05 0.07 -0.55 8.46 8.09 3lc6A1 SER 115 HA 0.10 0.06 0.47 -0.75 4.49 4.36 3lc6A1 SER 115 HB2 -0.03 -0.00 0.10 -0.04 3.95 3.97 3lc6A1 SER 115 HB3 0.64 0.09 -0.03 -0.04 3.93 4.59 3lc6A1 LEU 116 H 0.04 -0.03 0.11 -0.55 8.37 7.94 3lc6A1 LEU 116 HA -0.00 0.13 0.00 -0.75 4.35 3.73 3lc6A1 LEU 116 HB2 0.01 -0.01 0.13 -0.04 1.64 1.73 3lc6A1 LEU 116 HB3 -0.02 -0.05 0.08 -0.04 1.64 1.61 3lc6A1 LEU 116 HG -0.02 0.17 0.15 -0.04 1.64 1.91 3lc6A1 LEU 116 HD13 0.00 0.02 0.07 -0.04 0.93 0.99 3lc6A1 LEU 116 HD23 0.00 -0.01 0.03 -0.04 0.89 0.88 3lc6A1 THR 117 H -0.03 0.18 0.15 -0.55 8.28 8.04 3lc6A1 THR 117 HA -0.10 0.17 0.85 -0.75 4.39 4.56 3lc6A1 THR 117 HB -0.05 0.08 -0.10 -0.04 4.32 4.21 3lc6A1 THR 117 HG23 0.00 -0.00 -0.27 -0.04 1.22 0.90 3lc6A1 PRO 118 HA -0.05 0.06 0.34 -0.51 4.44 4.27 3lc6A1 PRO 118 HB2 0.07 0.04 0.02 -0.04 2.28 2.37 3lc6A1 PRO 118 HB3 0.10 0.05 0.12 -0.04 2.02 2.25 3lc6A1 PRO 118 HG2 0.01 0.03 0.07 -0.04 2.03 2.09 3lc6A1 PRO 118 HG3 0.04 0.06 0.06 -0.04 2.03 2.16 3lc6A1 PRO 118 HD2 -0.00 0.20 0.80 -0.04 3.68 4.63 3lc6A1 PRO 118 HD3 0.02 0.09 -0.28 -0.04 3.65 3.43 3lc6A1 GLU 119 H -0.06 0.24 -0.28 -0.55 8.60 7.96 3lc6A1 GLU 119 HA -0.10 0.30 0.90 -0.75 4.29 4.63 3lc6A1 GLU 119 HB2 -0.06 0.00 0.03 -0.04 2.09 2.02 3lc6A1 GLU 119 HB3 -0.07 0.01 0.16 -0.04 1.99 2.06 3lc6A1 GLU 119 HG2 -0.02 0.01 -0.01 -0.04 2.34 2.27 3lc6A1 GLU 119 HG3 -0.02 0.05 -0.14 -0.04 2.34 2.19 3lc6A1 ARG 120 H -0.19 0.06 -0.55 -0.55 8.46 7.22 3lc6A1 ARG 120 HA -0.30 0.16 0.65 -0.75 4.34 4.09 3lc6A1 ARG 120 HB2 -0.15 -0.14 -0.28 -0.04 1.90 1.29 3lc6A1 ARG 120 HB3 -0.25 0.44 -0.19 -0.04 1.80 1.76 3lc6A1 ARG 120 HG2 -0.07 -0.12 -0.07 -0.04 1.67 1.37 3lc6A1 ARG 120 HG3 -0.56 0.03 0.08 -0.04 1.67 1.18 3lc6A1 ARG 120 HD2 -0.11 0.06 -0.02 -0.04 3.22 3.11 3lc6A1 ARG 120 HD3 -0.08 -0.01 -0.10 -0.04 3.22 2.99 3lc6A1 LEU 121 H -0.37 0.32 -0.31 -0.55 8.37 7.46 3lc6A1 LEU 121 HA -0.52 0.05 0.41 -0.75 4.35 3.53 3lc6A1 LEU 121 HB2 -0.43 0.17 -0.78 -0.04 1.64 0.57 3lc6A1 LEU 121 HB3 -0.27 -0.05 -0.30 -0.04 1.64 0.98 3lc6A1 LEU 121 HG -0.16 -0.04 -0.03 -0.04 1.64 1.37 3lc6A1 LEU 121 HD13 -0.22 0.02 0.09 -0.04 0.93 0.78 3lc6A1 LEU 121 HD23 -0.21 0.01 -0.12 -0.04 0.89 0.52 3lc6A1 PHE 122 H -0.56 0.16 0.05 -0.55 8.34 7.44 3lc6A1 PHE 122 HA -0.19 0.19 0.92 -0.75 4.62 4.79 3lc6A1 PHE 122 HB2 -0.23 -0.01 0.13 -0.04 3.15 3.01 3lc6A1 PHE 122 HB3 -0.15 0.08 0.00 -0.04 3.06 2.95 3lc6A1 PHE 122 HD2 -0.31 0.16 0.12 -0.04 7.28 7.21 3lc6A1 PHE 122 HE2 -0.72 0.03 0.02 -0.04 7.38 6.67 3lc6A1 PHE 122 HZ -0.32 0.06 -0.01 -0.04 7.32 7.01 3lc6A1 ILE 123 H -0.02 0.22 0.02 -0.55 8.25 7.93 3lc6A1 ILE 123 HA -0.18 0.17 0.84 -0.75 4.18 4.27 3lc6A1 ILE 123 HB -0.20 -0.02 -0.07 -0.04 1.89 1.56 3lc6A1 ILE 123 HG12 -0.25 0.00 -0.03 -0.04 1.49 1.17 3lc6A1 ILE 123 HG13 -0.31 0.02 0.11 -0.04 1.21 0.99 3lc6A1 ILE 123 HG23 -0.19 0.02 -0.05 -0.04 0.93 0.66 3lc6A1 ILE 123 HD13 -0.48 0.00 -0.01 -0.04 0.88 0.35 3lc6A1 PHE 124 H 0.15 0.10 0.13 -0.55 8.34 8.16 3lc6A1 PHE 124 HA 0.06 0.17 0.71 -0.75 4.62 4.81 3lc6A1 PHE 124 HB2 0.04 -0.02 0.00 -0.04 3.15 3.13 3lc6A1 PHE 124 HB3 0.06 0.05 0.04 -0.04 3.06 3.17 3lc6A1 PHE 124 HD2 0.05 -0.04 0.00 -0.04 7.28 7.25 3lc6A1 PHE 124 HE2 0.05 0.02 -0.02 -0.04 7.38 7.38 3lc6A1 PHE 124 HZ 0.04 0.05 -0.04 -0.04 7.32 7.33 3lc6A1 SER 125 H 0.25 0.12 0.08 -0.55 8.46 8.37 3lc6A1 SER 125 HA 0.09 0.08 0.45 -0.75 4.49 4.35 3lc6A1 SER 125 HB2 0.21 -0.01 0.09 -0.04 3.95 4.20 3lc6A1 SER 125 HB3 0.29 0.01 -0.07 -0.04 3.93 4.12 3lc6A1 SER 126 H 0.11 0.17 0.13 -0.55 8.46 8.32 3lc6A1 SER 126 HA 0.07 0.17 0.91 -0.75 4.49 4.88 3lc6A1 SER 126 HB2 -0.01 0.02 0.21 -0.04 3.95 4.13 3lc6A1 SER 126 HB3 0.04 0.03 0.01 -0.04 3.93 3.97 3lc6A1 GLN 127 H 0.04 0.19 0.06 -0.55 8.47 8.21 3lc6A1 GLN 127 HA -0.01 -0.02 0.18 -0.75 4.36 3.76 3lc6A1 GLN 127 HB2 -0.01 -0.09 -0.44 -0.04 2.15 1.57 3lc6A1 GLN 127 HB3 -0.03 0.40 -0.20 -0.04 2.02 2.14 3lc6A1 GLN 127 HG2 -0.04 0.02 -0.06 -0.04 2.40 2.28 3lc6A1 GLN 127 HG3 -0.04 0.04 0.08 -0.04 2.39 2.43 3lc6A1 GLN 127 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.85 3lc6A1 GLN 127 HE22 -0.01 0.02 -0.10 -0.04 7.69 7.56 3lc6A1 PRO 128 HA -0.20 0.11 0.37 -0.51 4.44 4.21 3lc6A1 PRO 128 HB2 0.15 -0.35 0.22 -0.04 2.28 2.27 3lc6A1 PRO 128 HB3 -0.18 0.09 0.07 -0.04 2.02 1.96 3lc6A1 PRO 128 HG2 0.73 -0.09 -0.05 -0.04 2.03 2.58 3lc6A1 PRO 128 HG3 -0.84 0.11 -0.01 -0.04 2.03 1.25 3lc6A1 PRO 128 HD2 0.12 -0.27 -1.04 -0.04 3.68 2.45 3lc6A1 PRO 128 HD3 -0.05 0.88 -0.43 -0.04 3.65 4.01 3lc6A1 GLU 129 H 0.02 0.02 -0.40 -0.55 8.60 7.70 3lc6A1 GLU 129 HA 0.19 0.06 0.26 -0.75 4.29 4.05 3lc6A1 GLU 129 HB2 0.13 -0.06 -0.18 -0.04 2.09 1.93 3lc6A1 GLU 129 HB3 0.08 0.03 0.03 -0.04 1.99 2.09 3lc6A1 GLU 129 HG2 0.23 0.06 -0.35 -0.04 2.34 2.24 3lc6A1 GLU 129 HG3 0.25 -0.12 -0.09 -0.04 2.34 2.34 3lc6A1 ARG 130 H -0.01 0.15 -0.11 -0.55 8.46 7.94 3lc6A1 ARG 130 HA -0.05 0.06 -0.32 -0.75 4.34 3.28 3lc6A1 ARG 130 HB2 -0.03 -0.03 0.07 -0.04 1.90 1.87 3lc6A1 ARG 130 HB3 -0.11 0.03 -0.02 -0.04 1.80 1.67 3lc6A1 ARG 130 HG2 -0.05 0.02 -0.03 -0.04 1.67 1.57 3lc6A1 ARG 130 HG3 -0.18 0.02 -0.05 -0.04 1.67 1.42 3lc6A1 ARG 130 HD2 0.07 -0.02 -0.09 -0.04 3.22 3.14 3lc6A1 ARG 130 HD3 0.04 -0.01 -0.03 -0.04 3.22 3.17 3lc6A1 ARG 131 H -0.12 0.10 -0.03 -0.55 8.46 7.86 3lc6A1 ARG 131 HA -0.45 0.12 0.66 -0.75 4.34 3.92 3lc6A1 ARG 131 HB2 -0.08 0.04 0.10 -0.04 1.90 1.92 3lc6A1 ARG 131 HB3 -0.08 -0.06 0.04 -0.04 1.80 1.67 3lc6A1 ARG 131 HG2 -0.10 -0.03 -0.02 -0.04 1.67 1.48 3lc6A1 ARG 131 HG3 -0.07 0.04 0.01 -0.04 1.67 1.60 3lc6A1 ARG 131 HD2 -0.20 0.02 -0.14 -0.04 3.22 2.85 3lc6A1 ARG 131 HD3 -0.09 0.02 -0.03 -0.04 3.22 3.09 3lc6A1 PHE 132 H -0.34 0.19 0.17 -0.55 8.34 7.80 3lc6A1 PHE 132 HA 0.11 0.19 0.52 -0.75 4.62 4.68 3lc6A1 PHE 132 HB2 0.05 -0.01 0.14 -0.04 3.15 3.29 3lc6A1 PHE 132 HB3 0.07 0.07 0.09 -0.04 3.06 3.24 3lc6A1 PHE 132 HD2 0.06 -0.02 -0.04 -0.04 7.28 7.24 3lc6A1 PHE 132 HE2 0.05 -0.05 -0.03 -0.04 7.38 7.32 3lc6A1 PHE 132 HZ 0.05 -0.07 0.00 -0.04 7.32 7.25 3lc6A1 ARG 133 H 0.05 0.13 -0.68 -0.55 8.46 7.42 3lc6A1 ARG 133 HA 0.11 0.12 0.10 -0.75 4.34 3.91 3lc6A1 ARG 133 HB2 0.04 -0.02 0.04 -0.04 1.90 1.91 3lc6A1 ARG 133 HB3 0.03 0.03 0.06 -0.04 1.80 1.87 3lc6A1 ARG 133 HG2 0.03 0.00 0.03 -0.04 1.67 1.70 3lc6A1 ARG 133 HG3 0.04 -0.01 0.17 -0.04 1.67 1.83 3lc6A1 ARG 133 HD2 0.07 0.01 -0.05 -0.04 3.22 3.22 3lc6A1 ARG 133 HD3 0.06 -0.02 -0.03 -0.04 3.22 3.20 3lc6A1 THR 134 H 0.16 1.24 -0.46 -0.55 8.28 8.67 3lc6A1 THR 134 HA 0.08 0.10 0.38 -0.75 4.39 4.19 3lc6A1 THR 134 HB 0.13 -0.02 0.08 -0.04 4.32 4.48 3lc6A1 THR 134 HG23 0.22 0.20 -0.18 -0.04 1.22 1.42 3lc6A1 ILE 135 H 0.07 0.36 -0.63 -0.55 8.25 7.50 3lc6A1 ILE 135 HA 0.05 0.12 0.88 -0.75 4.18 4.48 3lc6A1 ILE 135 HB 0.06 0.05 0.09 -0.04 1.89 2.05 3lc6A1 ILE 135 HG12 0.10 -0.07 -0.23 -0.04 1.49 1.25 3lc6A1 ILE 135 HG13 0.10 -0.16 -0.30 -0.04 1.21 0.81 3lc6A1 ILE 135 HG23 0.04 0.09 -0.15 -0.04 0.93 0.87 3lc6A1 ILE 135 HD13 0.13 0.02 -0.10 -0.04 0.88 0.88 3lc6A1 PRO 136 HA 0.02 0.06 0.47 -0.51 4.44 4.47 3lc6A1 PRO 136 HB2 0.01 -0.05 0.06 -0.04 2.28 2.26 3lc6A1 PRO 136 HB3 0.01 0.01 0.05 -0.04 2.02 2.05 3lc6A1 PRO 136 HG2 0.01 0.02 0.02 -0.04 2.03 2.04 3lc6A1 PRO 136 HG3 0.01 0.03 0.01 -0.04 2.03 2.04 3lc6A1 PRO 136 HD2 0.03 0.20 0.01 -0.04 3.68 3.88 3lc6A1 PRO 136 HD3 0.04 0.03 -0.46 -0.04 3.65 3.21 3lc6A1 ARG 137 H 0.01 0.01 -0.17 -0.55 8.46 7.76 3lc6A1 ARG 137 HA 0.00 0.19 0.74 -0.75 4.34 4.52 3lc6A1 ARG 137 HB2 0.01 -0.04 0.04 -0.04 1.90 1.87 3lc6A1 ARG 137 HB3 -0.00 0.00 0.14 -0.04 1.80 1.90 3lc6A1 ARG 137 HG2 0.01 0.04 -0.03 -0.04 1.67 1.65 3lc6A1 ARG 137 HG3 0.01 -0.08 -0.13 -0.04 1.67 1.42 3lc6A1 ARG 137 HD2 0.02 -0.00 -0.01 -0.04 3.22 3.18 3lc6A1 ARG 137 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 3lc6A1 PRO 138 HA -0.00 0.19 0.56 -0.51 4.44 4.67 3lc6A1 PRO 138 HB2 -0.07 0.40 0.16 -0.04 2.28 2.73 3lc6A1 PRO 138 HB3 -0.03 0.00 0.16 -0.04 2.02 2.12 3lc6A1 PRO 138 HG2 -0.05 -0.05 0.09 -0.04 2.03 1.98 3lc6A1 PRO 138 HG3 -0.03 0.02 0.10 -0.04 2.03 2.07 3lc6A1 PRO 138 HD2 -0.01 0.04 0.22 -0.04 3.68 3.89 3lc6A1 PRO 138 HD3 -0.01 0.16 0.14 -0.04 3.65 3.91 3lc6A1 LEU 139 H -0.05 0.05 -0.16 -0.55 8.37 7.67 3lc6A1 LEU 139 HA -0.08 -0.02 0.30 -0.75 4.35 3.81 3lc6A1 LEU 139 HB2 -0.04 0.03 -0.47 -0.04 1.64 1.12 3lc6A1 LEU 139 HB3 -0.18 0.14 0.09 -0.04 1.64 1.65 3lc6A1 LEU 139 HG -0.02 -0.05 0.04 -0.04 1.64 1.57 3lc6A1 LEU 139 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.76 3lc6A1 LEU 139 HD23 -0.13 0.03 0.18 -0.04 0.89 0.93 3lc6A1 ALA 140 H -0.17 0.22 -0.70 -0.55 8.40 7.20 3lc6A1 ALA 140 HA -0.27 -0.08 0.26 -0.75 4.34 3.49 3lc6A1 ALA 140 HB3 -0.63 0.12 0.05 -0.04 1.41 0.90 3lc6A1 LYS 141 H -0.24 0.45 0.18 -0.55 8.42 8.25 3lc6A1 LYS 141 HA -0.18 0.19 1.03 -0.75 4.32 4.60 3lc6A1 LYS 141 HB2 -0.38 0.01 -0.01 -0.04 1.87 1.45 3lc6A1 LYS 141 HB3 -0.51 -0.00 -0.06 -0.04 1.79 1.18 3lc6A1 LYS 141 HG2 -0.12 0.00 0.02 -0.04 1.46 1.32 3lc6A1 LYS 141 HG3 -0.12 0.01 -0.27 -0.04 1.46 1.04 3lc6A1 LYS 141 HD2 -0.07 0.01 -0.09 -0.04 1.69 1.51 3lc6A1 LYS 141 HD3 -0.03 0.00 -0.05 -0.04 1.68 1.56 3lc6A1 LYS 141 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 3lc6A1 LYS 141 HE3 -0.05 -0.04 -0.12 -0.04 2.99 2.74 3lc6A1 ASP 142 H -0.20 0.14 0.12 -0.55 8.40 7.91 3lc6A1 ASP 142 HA -0.09 0.19 0.76 -0.75 4.63 4.74 3lc6A1 ASP 142 HB2 -0.09 -0.04 0.20 -0.04 2.71 2.74 3lc6A1 ASP 142 HB3 -0.12 0.00 0.01 -0.04 2.70 2.55 3lc6A1 PHE 143 H 0.03 0.44 0.33 -0.55 8.34 8.58 3lc6A1 PHE 143 HA 0.03 0.08 0.86 -0.75 4.62 4.84 3lc6A1 PHE 143 HB2 0.04 -0.08 0.01 -0.04 3.15 3.08 3lc6A1 PHE 143 HB3 0.00 -0.04 -0.06 -0.04 3.06 2.92 3lc6A1 PHE 143 HD2 0.03 -0.04 -0.05 -0.04 7.28 7.18 3lc6A1 PHE 143 HE2 0.03 0.02 -0.10 -0.04 7.38 7.29 3lc6A1 PHE 143 HZ 0.02 0.04 -0.12 -0.04 7.32 7.22 3lc6A1 HIS 144 H 0.23 0.21 0.21 -0.55 8.41 8.51 3lc6A1 HIS 144 HA 0.07 0.10 0.88 -0.75 4.63 4.93 3lc6A1 HIS 144 HB2 0.01 0.03 0.01 -0.04 3.26 3.27 3lc6A1 HIS 144 HB3 -0.00 -0.03 -0.02 -0.04 3.20 3.10 3lc6A1 HIS 144 HD2 -0.02 0.18 -0.02 -0.04 6.97 7.05 3lc6A1 HIS 144 HE1 0.02 -0.00 -0.04 -0.04 7.75 7.69 3lc6A1 PRO 145 HA -0.27 -0.12 0.69 -0.51 4.44 4.23 3lc6A1 PRO 145 HB2 -0.19 0.22 0.19 -0.04 2.28 2.45 3lc6A1 PRO 145 HB3 -0.65 -0.16 0.12 -0.04 2.02 1.29 3lc6A1 PRO 145 HG2 -0.46 0.29 0.11 -0.04 2.03 1.93 3lc6A1 PRO 145 HG3 -1.22 -0.03 -0.00 -0.04 2.03 0.73 3lc6A1 PRO 145 HD2 -0.14 0.14 0.15 -0.04 3.68 3.79 3lc6A1 PRO 145 HD3 -0.19 0.16 0.21 -0.04 3.65 3.79 3lc6A1 ASP 146 H -0.08 0.00 0.32 -0.55 8.40 8.09 3lc6A1 ASP 146 HA -0.05 0.30 0.84 -0.75 4.63 4.96 3lc6A1 ASP 146 HB2 -0.01 -0.08 0.15 -0.04 2.71 2.73 3lc6A1 ASP 146 HB3 -0.02 0.03 0.03 -0.04 2.70 2.71 3lc6A1 HIS 147 H 0.01 0.07 0.21 -0.55 8.41 8.15 3lc6A1 HIS 147 HA -0.06 0.32 0.86 -0.75 4.63 4.99 3lc6A1 HIS 147 HB2 -0.05 0.04 0.09 -0.04 3.26 3.30 3lc6A1 HIS 147 HB3 -0.06 -0.11 0.06 -0.04 3.20 3.04 3lc6A1 HIS 147 HD2 -0.03 0.04 0.03 -0.04 6.97 6.97 3lc6A1 HIS 147 HE1 -0.02 0.01 0.01 -0.04 7.75 7.72 3lc6A1 GLY 148 H -0.17 -0.07 -0.03 -0.55 8.43 7.61 3lc6A1 GLY 148 HA2 -0.60 0.12 0.29 -0.51 4.01 3.32 3lc6A1 GLY 148 HA3 -0.27 0.15 0.27 -0.51 4.01 3.65 3lc6A1 TRP 149 H 0.05 0.29 0.18 -0.55 7.97 7.94 3lc6A1 TRP 149 HA 0.05 0.06 0.31 -0.75 4.62 4.29 3lc6A1 TRP 149 HB2 0.02 0.07 0.06 -0.04 3.23 3.34 3lc6A1 TRP 149 HB3 0.06 0.06 0.13 -0.04 3.23 3.44 3lc6A1 TRP 149 HD1 0.01 0.08 -0.08 -0.04 7.22 7.20 3lc6A1 TRP 149 HE1 0.01 -0.13 -0.05 -0.04 10.20 10.00 3lc6A1 TRP 149 HE3 0.08 -0.08 -0.08 -0.04 7.59 7.47 3lc6A1 TRP 149 HZ2 -0.02 0.16 0.07 -0.04 7.44 7.61 3lc6A1 TRP 149 HZ3 -0.04 -0.04 -0.11 -0.04 7.13 6.90 3lc6A1 TRP 149 HH2 -0.08 0.14 -0.15 -0.04 7.19 7.06 3lc6A1 GLU 150 H 0.12 0.09 -0.03 -0.55 8.60 8.24 3lc6A1 GLU 150 HA 0.10 0.28 0.80 -0.75 4.29 4.72 3lc6A1 GLU 150 HB2 0.06 0.04 0.02 -0.04 2.09 2.17 3lc6A1 GLU 150 HB3 0.10 0.01 0.02 -0.04 1.99 2.08 3lc6A1 GLU 150 HG2 0.02 -0.00 -0.04 -0.04 2.34 2.28 3lc6A1 GLU 150 HG3 0.02 -0.03 0.03 -0.04 2.34 2.33 3lc6A1 SER 151 H 0.08 0.01 -0.11 -0.55 8.46 7.89 3lc6A1 SER 151 HA -0.01 0.25 0.74 -0.75 4.49 4.71 3lc6A1 SER 151 HB2 0.13 0.05 -0.01 -0.04 3.95 4.09 3lc6A1 SER 151 HB3 -0.03 -0.01 -0.11 -0.04 3.93 3.74 3lc6A1 LEU 152 H -0.04 0.47 0.09 -0.55 8.37 8.34 3lc6A1 LEU 152 HA -0.11 0.09 0.41 -0.75 4.35 3.99 3lc6A1 LEU 152 HB2 -0.16 -0.16 0.17 -0.04 1.64 1.45 3lc6A1 LEU 152 HB3 -0.24 0.25 0.16 -0.04 1.64 1.76 3lc6A1 LEU 152 HG -0.17 -0.04 -0.27 -0.04 1.64 1.12 3lc6A1 LEU 152 HD13 -0.06 0.03 -0.01 -0.04 0.93 0.85 3lc6A1 LEU 152 HD23 -0.26 0.00 -0.39 -0.04 0.89 0.20 3lc6A1 LEU 153 H 0.08 0.17 -0.24 -0.55 8.37 7.83 3lc6A1 LEU 153 HA 0.06 0.06 0.41 -0.75 4.35 4.13 3lc6A1 LEU 153 HB2 0.37 0.02 -0.03 -0.04 1.64 1.96 3lc6A1 LEU 153 HB3 0.19 0.08 -0.21 -0.04 1.64 1.66 3lc6A1 LEU 153 HG 0.19 -0.04 0.02 -0.04 1.64 1.76 3lc6A1 LEU 153 HD13 0.42 0.01 -0.05 -0.04 0.93 1.27 3lc6A1 LEU 153 HD23 0.26 0.03 -0.07 -0.04 0.89 1.07 3lc6A1 MET 154 H -0.03 0.24 -1.00 -0.55 8.47 7.13 3lc6A1 MET 154 HA -0.06 0.05 0.51 -0.75 4.52 4.27 3lc6A1 MET 154 HB2 -0.04 0.11 0.17 -0.04 2.15 2.34 3lc6A1 MET 154 HB3 -0.08 -0.00 -0.05 -0.04 2.03 1.85 3lc6A1 MET 154 HG2 -0.04 0.06 0.04 -0.04 2.63 2.65 3lc6A1 MET 154 HG3 -0.07 -0.02 0.02 -0.04 2.56 2.44 3lc6A1 MET 154 HE3 -0.09 -0.01 -0.05 -0.04 2.10 1.91 3lc6A1 ARG 155 H -0.14 0.39 -0.19 -0.55 8.46 7.97 3lc6A1 ARG 155 HA -0.15 0.04 0.39 -0.75 4.34 3.86 3lc6A1 ARG 155 HB2 -0.41 0.42 0.28 -0.04 1.90 2.14 3lc6A1 ARG 155 HB3 -0.54 -0.02 -0.05 -0.04 1.80 1.15 3lc6A1 ARG 155 HG2 -0.16 -0.02 0.09 -0.04 1.67 1.54 3lc6A1 ARG 155 HG3 -0.26 -0.02 0.07 -0.04 1.67 1.42 3lc6A1 ARG 155 HD2 -0.12 -0.02 0.03 -0.04 3.22 3.07 3lc6A1 ARG 155 HD3 -0.09 -0.01 -0.00 -0.04 3.22 3.08 3lc6A1 VAL 156 H -0.16 0.18 -0.23 -0.55 8.24 7.47 3lc6A1 VAL 156 HA -0.03 0.05 0.18 -0.75 4.13 3.58 3lc6A1 VAL 156 HB 0.12 0.02 0.01 -0.04 2.12 2.23 3lc6A1 VAL 156 HG13 -0.02 -0.00 0.01 -0.04 0.97 0.92 3lc6A1 VAL 156 HG23 0.10 0.10 -0.03 -0.04 0.95 1.08 3lc6A1 ILE 157 H -0.04 0.23 -0.41 -0.55 8.25 7.48 3lc6A1 ILE 157 HA 0.09 0.06 0.26 -0.75 4.18 3.83 3lc6A1 ILE 157 HB -0.21 0.05 0.05 -0.04 1.89 1.74 3lc6A1 ILE 157 HG12 0.10 -0.01 -0.02 -0.04 1.49 1.51 3lc6A1 ILE 157 HG13 0.02 0.19 0.07 -0.04 1.21 1.45 3lc6A1 ILE 157 HG23 -0.33 -0.02 0.07 -0.04 0.93 0.61 3lc6A1 ILE 157 HD13 0.06 -0.03 0.03 -0.04 0.88 0.90 3lc6A1 SER 158 H -0.13 0.33 -0.29 -0.55 8.46 7.83 3lc6A1 SER 158 HA -0.27 0.10 0.77 -0.75 4.49 4.33 3lc6A1 SER 158 HB2 -0.09 -0.02 0.02 -0.04 3.95 3.82 3lc6A1 SER 158 HB3 -0.14 -0.08 0.08 -0.04 3.93 3.75 3lc6A1 ASP 159 H -0.02 0.70 0.04 -0.55 8.40 8.58 3lc6A1 ASP 159 HA 0.05 0.13 0.65 -0.75 4.63 4.71 3lc6A1 ASP 159 HB2 0.09 -0.05 0.11 -0.04 2.71 2.82 3lc6A1 ASP 159 HB3 0.04 -0.07 0.03 -0.04 2.70 2.66 3lc6A1 LEU 160 H 0.11 0.14 -0.56 -0.55 8.37 7.51 3lc6A1 LEU 160 HA 0.14 0.08 0.70 -0.75 4.35 4.52 3lc6A1 LEU 160 HB2 0.37 0.18 0.09 -0.04 1.64 2.24 3lc6A1 LEU 160 HB3 0.26 -0.15 0.01 -0.04 1.64 1.72 3lc6A1 LEU 160 HG 0.16 0.42 0.07 -0.04 1.64 2.25 3lc6A1 LEU 160 HD13 0.28 -0.02 -0.01 -0.04 0.93 1.14 3lc6A1 LEU 160 HD23 0.13 -0.02 0.01 -0.04 0.89 0.96 3lc6A1 PRO 161 HA 0.10 0.10 0.30 -0.51 4.44 4.43 3lc6A1 PRO 161 HB2 0.07 -0.02 0.06 -0.04 2.28 2.35 3lc6A1 PRO 161 HB3 0.07 0.02 0.11 -0.04 2.02 2.18 3lc6A1 PRO 161 HG2 0.10 -0.01 0.02 -0.04 2.03 2.10 3lc6A1 PRO 161 HG3 0.08 0.00 0.09 -0.04 2.03 2.16 3lc6A1 PRO 161 HD2 0.12 0.04 0.30 -0.04 3.68 4.10 3lc6A1 PRO 161 HD3 0.10 0.29 0.21 -0.04 3.65 4.21 3lc6A1 LEU 162 H 0.21 0.07 -1.20 -0.55 8.37 6.90 3lc6A1 LEU 162 HA 0.05 0.03 0.41 -0.75 4.35 4.08 3lc6A1 LEU 162 HB2 0.17 -0.03 -0.01 -0.04 1.64 1.74 3lc6A1 LEU 162 HB3 -0.16 0.02 -0.08 -0.04 1.64 1.38 3lc6A1 LEU 162 HG 0.08 0.04 -0.09 -0.04 1.64 1.62 3lc6A1 LEU 162 HD13 0.16 -0.01 -0.13 -0.04 0.93 0.92 3lc6A1 LEU 162 HD23 0.09 0.00 -0.10 -0.04 0.89 0.84 3lc6A1 ARG 163 H -0.04 0.16 0.12 -0.55 8.46 8.14 3lc6A1 ARG 163 HA 0.03 0.17 0.65 -0.75 4.34 4.44 3lc6A1 ARG 163 HB2 0.02 0.07 0.11 -0.04 1.90 2.06 3lc6A1 ARG 163 HB3 -0.02 -0.03 0.22 -0.04 1.80 1.93 3lc6A1 ARG 163 HG2 0.06 0.03 -0.04 -0.04 1.67 1.68 3lc6A1 ARG 163 HG3 0.04 -0.05 -0.01 -0.04 1.67 1.61 3lc6A1 ARG 163 HD2 0.10 0.04 0.02 -0.04 3.22 3.34 3lc6A1 ARG 163 HD3 0.15 0.05 -0.05 -0.04 3.22 3.32 3lc6A1 LEU 164 H -0.41 0.39 0.07 -0.55 8.37 7.86 3lc6A1 LEU 164 HA -0.27 0.02 0.49 -0.75 4.35 3.84 3lc6A1 LEU 164 HB2 -0.50 -0.07 -0.22 -0.04 1.64 0.81 3lc6A1 LEU 164 HB3 -0.59 0.09 -0.12 -0.04 1.64 0.98 3lc6A1 LEU 164 HG -0.23 0.25 0.21 -0.04 1.64 1.82 3lc6A1 LEU 164 HD13 -0.27 -0.03 -0.07 -0.04 0.93 0.52 3lc6A1 LEU 164 HD23 -0.35 0.01 0.08 -0.04 0.89 0.58 3lc6A1 HIS 165 H -0.16 0.12 0.11 -0.55 8.41 7.93 3lc6A1 HIS 165 HA 0.22 -0.03 0.51 -0.75 4.63 4.57 3lc6A1 HIS 165 HB2 0.08 0.08 0.06 -0.04 3.26 3.45 3lc6A1 HIS 165 HB3 0.08 -0.01 0.16 -0.04 3.20 3.38 3lc6A1 HIS 165 HD2 0.02 -0.02 0.01 -0.04 6.97 6.94 3lc6A1 HIS 165 HE1 -0.03 0.03 0.06 -0.04 7.75 7.78 3lc6A1 TRP 166 H 0.75 0.04 0.32 -0.55 7.97 8.53 3lc6A1 TRP 166 HA 0.06 0.13 0.65 -0.75 4.62 4.71 3lc6A1 TRP 166 HB2 0.06 -0.06 0.16 -0.04 3.23 3.35 3lc6A1 TRP 166 HB3 0.07 -0.18 0.00 -0.04 3.23 3.08 3lc6A1 TRP 166 HD1 0.08 -0.12 0.06 -0.04 7.22 7.20 3lc6A1 TRP 166 HE1 0.06 -0.03 0.06 -0.04 10.20 10.25 3lc6A1 TRP 166 HE3 0.05 -0.20 0.18 -0.04 7.59 7.58 3lc6A1 TRP 166 HZ2 0.05 -0.05 0.14 -0.04 7.44 7.53 3lc6A1 TRP 166 HZ3 0.03 -0.12 0.07 -0.04 7.13 7.08 3lc6A1 TRP 166 HH2 0.04 0.19 0.18 -0.04 7.19 7.56 3lc6A1 GLN 167 H 0.29 0.42 0.27 -0.55 8.47 8.91 3lc6A1 GLN 167 HA 0.19 0.28 0.79 -0.75 4.36 4.86 3lc6A1 GLN 167 HB2 0.22 0.25 -0.03 -0.04 2.15 2.55 3lc6A1 GLN 167 HB3 0.15 -0.02 -0.14 -0.04 2.02 1.97 3lc6A1 GLN 167 HG2 0.15 -0.12 -0.21 -0.04 2.40 2.18 3lc6A1 GLN 167 HG3 0.11 0.00 -0.06 -0.04 2.39 2.41 3lc6A1 GLN 167 HE21 0.18 0.04 -0.08 -0.04 6.97 7.06 3lc6A1 GLN 167 HE22 0.11 -0.04 -0.03 -0.04 7.69 7.68 3lc6A1 ASN 168 H 0.22 0.21 -0.03 -0.55 8.53 8.38 3lc6A1 ASN 168 HA 0.09 0.11 0.04 -0.75 4.76 4.26 3lc6A1 ASN 168 HB2 0.05 0.25 0.18 -0.04 2.88 3.32 3lc6A1 ASN 168 HB3 0.04 -0.07 0.20 -0.04 2.79 2.92 3lc6A1 ASN 168 HD21 -0.07 0.07 -0.02 -0.04 7.03 6.97 3lc6A1 ASN 168 HD22 -0.07 0.06 0.04 -0.04 7.74 7.73 3lc6A1 LYS 169 H 0.09 0.28 0.03 -0.55 8.42 8.27 3lc6A1 LYS 169 HA 0.08 0.12 0.65 -0.75 4.32 4.42 3lc6A1 LYS 169 HB2 -0.12 0.03 0.17 -0.04 1.87 1.91 3lc6A1 LYS 169 HB3 -0.09 0.04 0.03 -0.04 1.79 1.73 3lc6A1 LYS 169 HG2 -0.17 0.02 0.01 -0.04 1.46 1.29 3lc6A1 LYS 169 HG3 -0.17 -0.01 0.11 -0.04 1.46 1.35 3lc6A1 LYS 169 HD2 -0.74 0.06 -0.06 -0.04 1.69 0.91 3lc6A1 LYS 169 HD3 -1.27 0.01 0.04 -0.04 1.68 0.42 3lc6A1 LYS 169 HE2 -0.29 -0.08 0.03 -0.04 2.99 2.60 3lc6A1 LYS 169 HE3 -0.30 -0.00 -0.02 -0.04 2.99 2.63 3lc6A1 SER 170 H 0.01 0.11 -0.04 -0.55 8.46 8.00 3lc6A1 SER 170 HA 0.01 0.11 0.19 -0.75 4.49 4.06 3lc6A1 SER 170 HB2 -0.01 0.03 0.09 -0.04 3.95 4.02 3lc6A1 SER 170 HB3 -0.02 0.01 0.05 -0.04 3.93 3.93 3lc6A1 ARG 171 H -0.02 0.01 -0.47 -0.55 8.46 7.43 3lc6A1 ARG 171 HA -0.25 0.12 0.63 -0.75 4.34 4.09 3lc6A1 ARG 171 HB2 -0.11 -0.03 0.07 -0.04 1.90 1.79 3lc6A1 ARG 171 HB3 -0.08 0.08 0.03 -0.04 1.80 1.79 3lc6A1 ARG 171 HG2 -0.50 0.03 -0.01 -0.04 1.67 1.14 3lc6A1 ARG 171 HG3 -0.45 -0.01 0.10 -0.04 1.67 1.27 3lc6A1 ARG 171 HD2 -0.14 -0.02 0.01 -0.04 3.22 3.02 3lc6A1 ARG 171 HD3 -0.09 0.03 -0.01 -0.04 3.22 3.10 3lc6A1 ASP 172 H 0.05 0.34 -0.16 -0.55 8.40 8.08 3lc6A1 ASP 172 HA 0.36 0.06 0.58 -0.75 4.63 4.88 3lc6A1 ASP 172 HB2 0.13 0.10 0.28 -0.04 2.71 3.18 3lc6A1 ASP 172 HB3 0.19 -0.03 0.05 -0.04 2.70 2.86 3lc6A1 ILE 173 H 0.05 0.44 -0.16 -0.55 8.25 8.04 3lc6A1 ILE 173 HA 0.10 0.03 0.36 -0.75 4.18 3.91 3lc6A1 ILE 173 HB 0.05 0.01 0.03 -0.04 1.89 1.95 3lc6A1 ILE 173 HG12 0.06 -0.08 0.21 -0.04 1.49 1.63 3lc6A1 ILE 173 HG13 0.15 -0.03 0.06 -0.04 1.21 1.35 3lc6A1 ILE 173 HG23 0.04 0.03 -0.06 -0.04 0.93 0.90 3lc6A1 ILE 173 HD13 0.07 -0.03 0.02 -0.04 0.88 0.90 3lc6A1 HIS 174 H 0.10 0.27 -0.27 -0.55 8.41 7.96 3lc6A1 HIS 174 HA -0.03 0.04 0.45 -0.75 4.63 4.33 3lc6A1 HIS 174 HB2 -0.27 0.10 0.15 -0.04 3.26 3.20 3lc6A1 HIS 174 HB3 -0.19 0.00 -0.04 -0.04 3.20 2.93 3lc6A1 HIS 174 HD2 -0.06 0.11 0.06 -0.04 6.97 7.03 3lc6A1 HIS 174 HE1 -0.03 -0.01 0.00 -0.04 7.75 7.66 3lc6A1 TYR 175 H -0.10 0.30 -0.26 -0.55 8.29 7.69 3lc6A1 TYR 175 HA -0.07 0.04 0.44 -0.75 4.56 4.22 3lc6A1 TYR 175 HB2 -0.11 0.16 0.24 -0.04 3.06 3.30 3lc6A1 TYR 175 HB3 -0.30 -0.06 -0.02 -0.04 2.98 2.56 3lc6A1 TYR 175 HD2 -0.31 -0.04 0.05 -0.04 7.15 6.81 3lc6A1 TYR 175 HE2 -0.23 -0.03 -0.06 -0.04 6.85 6.50 3lc6A1 ILE 176 H 0.19 0.56 -0.04 -0.55 8.25 8.41 3lc6A1 ILE 176 HA 0.17 -0.01 0.17 -0.75 4.18 3.76 3lc6A1 ILE 176 HB 0.15 0.13 0.12 -0.04 1.89 2.25 3lc6A1 ILE 176 HG12 0.10 -0.01 -0.03 -0.04 1.49 1.51 3lc6A1 ILE 176 HG13 -0.05 -0.01 0.01 -0.04 1.21 1.12 3lc6A1 ILE 176 HG23 0.16 -0.00 -0.19 -0.04 0.93 0.85 3lc6A1 ILE 176 HD13 0.17 0.01 -0.04 -0.04 0.88 0.98 3lc6A1 ILE 177 H 0.09 0.33 -0.33 -0.55 8.25 7.79 3lc6A1 ILE 177 HA 0.00 0.02 0.48 -0.75 4.18 3.93 3lc6A1 ILE 177 HB 0.01 -0.05 0.06 -0.04 1.89 1.87 3lc6A1 ILE 177 HG12 0.02 0.25 0.03 -0.04 1.49 1.75 3lc6A1 ILE 177 HG13 0.01 0.00 -0.16 -0.04 1.21 1.02 3lc6A1 ILE 177 HG23 0.08 0.01 0.04 -0.04 0.93 1.02 3lc6A1 ILE 177 HD13 -0.05 -0.03 -0.00 -0.04 0.88 0.76 3lc6A1 ARG 178 H 0.10 0.62 -0.14 -0.55 8.46 8.49 3lc6A1 ARG 178 HA 0.03 0.01 0.39 -0.75 4.34 4.01 3lc6A1 ARG 178 HB2 0.15 0.18 0.19 -0.04 1.90 2.37 3lc6A1 ARG 178 HB3 0.08 -0.04 0.04 -0.04 1.80 1.85 3lc6A1 ARG 178 HG2 0.05 -0.06 0.06 -0.04 1.67 1.68 3lc6A1 ARG 178 HG3 0.08 0.14 0.15 -0.04 1.67 2.00 3lc6A1 ARG 178 HD2 0.14 -0.01 0.06 -0.04 3.22 3.38 3lc6A1 ARG 178 HD3 0.08 -0.02 0.03 -0.04 3.22 3.27 3lc6A1 HIS 179 H 0.18 0.25 -0.20 -0.55 8.41 8.10 3lc6A1 HIS 179 HA -0.04 0.06 0.58 -0.75 4.63 4.47 3lc6A1 HIS 179 HB2 -0.08 0.03 0.11 -0.04 3.26 3.29 3lc6A1 HIS 179 HB3 -0.04 -0.00 0.11 -0.04 3.20 3.23 3lc6A1 HIS 179 HD2 -0.12 -0.07 -0.06 -0.04 6.97 6.67 3lc6A1 HIS 179 HE1 -0.20 -0.06 -0.09 -0.04 7.75 7.35 3lc6A1 LEU 180 H -0.14 0.22 -0.27 -0.55 8.37 7.63 3lc6A1 LEU 180 HA -0.74 0.04 0.35 -0.75 4.35 3.25 3lc6A1 LEU 180 HB2 -0.21 0.03 0.19 -0.04 1.64 1.61 3lc6A1 LEU 180 HB3 -0.26 0.05 0.08 -0.04 1.64 1.46 3lc6A1 LEU 180 HG -0.65 0.01 0.06 -0.04 1.64 1.01 3lc6A1 LEU 180 HD13 -0.48 0.00 0.02 -0.04 0.93 0.43 3lc6A1 LEU 180 HD23 -1.02 -0.02 -0.02 -0.04 0.89 -0.21 3lc6A1 THR 181 H -0.12 0.39 -0.23 -0.55 8.28 7.76 3lc6A1 THR 181 HA -0.09 0.14 0.45 -0.75 4.39 4.14 3lc6A1 THR 181 HB -0.04 0.13 0.10 -0.04 4.32 4.46 3lc6A1 THR 181 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.08 3lc6A1 GLU 182 H -0.14 0.33 -0.52 -0.55 8.60 7.73 3lc6A1 GLU 182 HA -0.04 -0.01 0.41 -0.75 4.29 3.89 3lc6A1 GLU 182 HB2 -0.08 0.14 0.14 -0.04 2.09 2.25 3lc6A1 GLU 182 HB3 -0.08 -0.01 -0.01 -0.04 1.99 1.85 3lc6A1 GLU 182 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.25 3lc6A1 GLU 182 HG3 -0.03 -0.04 0.09 -0.04 2.34 2.32 3lc6A1 THR 183 H -0.11 0.39 -0.40 -0.55 8.28 7.60 3lc6A1 THR 183 HA -0.04 0.18 0.44 -0.75 4.39 4.21 3lc6A1 THR 183 HB -0.07 0.03 0.02 -0.04 4.32 4.26 3lc6A1 THR 183 HG23 -0.03 -0.01 0.06 -0.04 1.22 1.20 3lc6A1 LEU 189 HA 0.20 -0.04 0.41 -0.75 4.35 4.17 3lc6A1 LEU 189 HB2 -0.03 0.17 0.72 -0.04 1.64 2.45 3lc6A1 LEU 189 HB3 0.07 -0.01 -0.32 -0.04 1.64 1.34 3lc6A1 LEU 189 HG 0.11 -0.04 -0.06 -0.04 1.64 1.61 3lc6A1 LEU 189 HD13 0.01 0.01 -0.07 -0.04 0.93 0.83 3lc6A1 LEU 189 HD23 0.37 -0.01 -0.64 -0.04 0.89 0.57 3lc6A1 SER 190 H 0.62 0.23 0.21 -0.55 8.46 8.97 3lc6A1 SER 190 HA 0.03 0.03 0.39 -0.75 4.49 4.19 3lc6A1 SER 190 HB2 0.11 0.26 0.47 -0.04 3.95 4.74 3lc6A1 SER 190 HB3 -0.04 -0.09 0.17 -0.04 3.93 3.94 3lc6A1 LYS 191 H 0.15 0.23 -0.27 -0.55 8.42 7.98 3lc6A1 LYS 191 HA 0.09 0.14 0.71 -0.75 4.32 4.51 3lc6A1 LYS 191 HB2 0.07 0.04 -0.02 -0.04 1.87 1.92 3lc6A1 LYS 191 HB3 0.07 0.02 0.01 -0.04 1.79 1.85 3lc6A1 LYS 191 HG2 0.06 -0.01 0.14 -0.04 1.46 1.61 3lc6A1 LYS 191 HG3 0.06 0.00 0.11 -0.04 1.46 1.59 3lc6A1 LYS 191 HD2 0.04 0.02 0.01 -0.04 1.69 1.72 3lc6A1 LYS 191 HD3 0.04 -0.02 0.03 -0.04 1.68 1.69 3lc6A1 LYS 191 HE2 0.04 -0.01 0.03 -0.04 2.99 3.01 3lc6A1 LYS 191 HE3 0.03 -0.00 0.02 -0.04 2.99 3.00 3lc6A1 SER 192 H 0.18 -0.15 -0.07 -0.55 8.46 7.87 3lc6A1 SER 192 HA 0.03 0.13 0.94 -0.75 4.49 4.83 3lc6A1 SER 192 HB2 0.07 0.37 0.11 -0.04 3.95 4.45 3lc6A1 SER 192 HB3 0.06 -0.18 0.35 -0.04 3.93 4.12 3lc6A1 HIS 193 H -0.10 0.10 0.08 -0.55 8.41 7.95 3lc6A1 HIS 193 HA -0.33 0.00 0.57 -0.75 4.63 4.11 3lc6A1 HIS 193 HB2 -0.61 -0.02 0.10 -0.04 3.26 2.68 3lc6A1 HIS 193 HB3 -0.96 -0.02 0.07 -0.04 3.20 2.26 3lc6A1 HIS 193 HD2 -0.07 0.01 -0.03 -0.04 6.97 6.83 3lc6A1 HIS 193 HE1 0.04 -0.01 -0.22 -0.04 7.75 7.52 3lc6A1 LEU 194 H 0.17 1.07 0.55 -0.55 8.37 9.61 3lc6A1 LEU 194 HA 0.03 0.18 0.86 -0.75 4.35 4.66 3lc6A1 LEU 194 HB2 0.16 -0.05 -0.06 -0.04 1.64 1.65 3lc6A1 LEU 194 HB3 0.22 -0.09 0.05 -0.04 1.64 1.79 3lc6A1 LEU 194 HG 0.02 0.05 -0.05 -0.04 1.64 1.63 3lc6A1 LEU 194 HD13 0.14 -0.03 -0.11 -0.04 0.93 0.88 3lc6A1 LEU 194 HD23 -0.16 -0.01 -0.10 -0.04 0.89 0.57 3lc6A1 GLN 195 H 0.08 0.23 0.03 -0.55 8.47 8.27 3lc6A1 GLN 195 HA 0.12 0.17 0.97 -0.75 4.36 4.86 3lc6A1 GLN 195 HB2 0.44 -0.01 -0.15 -0.04 2.15 2.39 3lc6A1 GLN 195 HB3 0.38 -0.07 0.21 -0.04 2.02 2.49 3lc6A1 GLN 195 HG2 0.54 -0.02 -0.13 -0.04 2.40 2.75 3lc6A1 GLN 195 HG3 0.14 0.15 -0.19 -0.04 2.39 2.45 3lc6A1 GLN 195 HE21 0.31 -0.00 -0.11 -0.04 6.97 7.12 3lc6A1 GLN 195 HE22 0.20 0.03 -0.26 -0.04 7.69 7.62 3lc6A1 VAL 196 H 0.22 0.04 0.06 -0.55 8.24 8.00 3lc6A1 VAL 196 HA 0.18 0.17 0.70 -0.75 4.13 4.43 3lc6A1 VAL 196 HB 0.41 -0.05 0.07 -0.04 2.12 2.51 3lc6A1 VAL 196 HG13 0.18 0.04 -0.04 -0.04 0.97 1.10 3lc6A1 VAL 196 HG23 0.21 -0.02 -0.04 -0.04 0.95 1.06 3lc6A1 ALA 197 H 0.03 0.50 0.38 -0.55 8.40 8.76 3lc6A1 ALA 197 HA -0.37 0.06 0.88 -0.75 4.34 4.15 3lc6A1 ALA 197 HB3 -0.68 0.02 0.04 -0.04 1.41 0.74 3lc6A1 ASN 198 H -0.23 0.49 0.21 -0.55 8.53 8.45 3lc6A1 ASN 198 HA 0.03 0.01 0.82 -0.75 4.76 4.87 3lc6A1 ASN 198 HB2 0.01 -0.02 -0.03 -0.04 2.88 2.81 3lc6A1 ASN 198 HB3 -0.03 -0.01 -0.20 -0.04 2.79 2.51 3lc6A1 ASN 198 HD21 -0.05 -0.14 -0.12 -0.04 7.03 6.68 3lc6A1 ASN 198 HD22 -0.01 0.03 -0.12 -0.04 7.74 7.60 3lc6A1 GLU 199 H 0.07 0.06 0.07 -0.55 8.60 8.26 3lc6A1 GLU 199 HA 0.07 0.06 0.43 -0.75 4.29 4.09 3lc6A1 GLU 199 HB2 0.10 0.01 0.20 -0.04 2.09 2.37 3lc6A1 GLU 199 HB3 0.08 0.02 0.17 -0.04 1.99 2.23 3lc6A1 GLU 199 HG2 0.10 -0.02 0.07 -0.04 2.34 2.45 3lc6A1 GLU 199 HG3 0.19 -0.02 0.10 -0.04 2.34 2.57 3lc6A1 LEU 200 H 0.08 0.09 0.16 -0.55 8.37 8.16 3lc6A1 LEU 200 HA 0.15 0.08 0.65 -0.75 4.35 4.47 3lc6A1 LEU 200 HB2 -0.01 -0.01 0.10 -0.04 1.64 1.69 3lc6A1 LEU 200 HB3 -0.13 -0.03 0.10 -0.04 1.64 1.54 3lc6A1 LEU 200 HG -0.07 0.10 -0.22 -0.04 1.64 1.41 3lc6A1 LEU 200 HD13 -0.31 -0.03 -0.18 -0.04 0.93 0.37 3lc6A1 LEU 200 HD23 -0.60 0.11 -1.30 -0.04 0.89 -0.95 3lc6A1 PHE 201 H 0.34 0.38 0.32 -0.55 8.34 8.83 3lc6A1 PHE 201 HA -0.05 0.07 0.36 -0.75 4.62 4.24 3lc6A1 PHE 201 HB2 -0.15 0.02 0.16 -0.04 3.15 3.14 3lc6A1 PHE 201 HB3 -0.97 0.02 -0.11 -0.04 3.06 1.96 3lc6A1 PHE 201 HD2 -0.31 0.04 -0.04 -0.04 7.28 6.93 3lc6A1 PHE 201 HE2 0.11 0.04 -0.12 -0.04 7.38 7.37 3lc6A1 PHE 201 HZ 0.10 -0.00 -0.08 -0.04 7.32 7.30 3lc6A1 TYR 202 H 0.27 0.42 0.22 -0.55 8.29 8.64 3lc6A1 TYR 202 HA 0.30 0.09 0.86 -0.75 4.56 5.05 3lc6A1 TYR 202 HB2 0.11 0.19 0.30 -0.04 3.06 3.61 3lc6A1 TYR 202 HB3 0.11 0.00 0.01 -0.04 2.98 3.07 3lc6A1 TYR 202 HD2 -0.03 0.23 0.11 -0.04 7.15 7.43 3lc6A1 TYR 202 HE2 -0.23 -0.05 -0.07 -0.04 6.85 6.47 3lc6A1 ARG 203 H 0.56 0.40 0.11 -0.55 8.46 8.98 3lc6A1 ARG 203 HA 0.13 0.03 0.18 -0.75 4.34 3.93 3lc6A1 ARG 203 HB2 -0.65 0.11 0.08 -0.04 1.90 1.40 3lc6A1 ARG 203 HB3 -0.07 -0.07 -0.01 -0.04 1.80 1.61 3lc6A1 ARG 203 HG2 -0.12 -0.15 -0.03 -0.04 1.67 1.33 3lc6A1 ARG 203 HG3 -0.23 0.09 0.10 -0.04 1.67 1.58 3lc6A1 ARG 203 HD2 -0.33 -0.20 -0.03 -0.04 3.22 2.62 3lc6A1 ARG 203 HD3 -0.80 0.35 -0.06 -0.04 3.22 2.67 3lc6A1 ASN 204 H 0.07 0.14 0.10 -0.55 8.53 8.30 3lc6A1 ASN 204 HA 0.10 0.06 0.34 -0.75 4.76 4.50 3lc6A1 ASN 204 HB2 0.04 0.15 -0.20 -0.04 2.88 2.83 3lc6A1 ASN 204 HB3 -0.04 -0.31 0.30 -0.04 2.79 2.69 3lc6A1 ASN 204 HD21 -0.08 -0.01 0.05 -0.04 7.03 6.94 3lc6A1 ASN 204 HD22 -0.06 -0.00 0.04 -0.04 7.74 7.68 3lc6A1 LYS 205 H -0.07 0.10 0.20 -0.55 8.42 8.10 3lc6A1 LYS 205 HA 0.17 0.12 0.42 -0.75 4.32 4.27 3lc6A1 LYS 205 HB2 -0.28 -0.04 0.16 -0.04 1.87 1.67 3lc6A1 LYS 205 HB3 -0.34 0.00 0.21 -0.04 1.79 1.61 3lc6A1 LYS 205 HG2 -1.81 0.05 0.08 -0.04 1.46 -0.26 3lc6A1 LYS 205 HG3 -0.91 -0.01 0.08 -0.04 1.46 0.58 3lc6A1 LYS 205 HD2 -0.40 -0.07 0.12 -0.04 1.69 1.30 3lc6A1 LYS 205 HD3 -0.55 0.01 0.08 -0.04 1.68 1.18 3lc6A1 LYS 205 HE2 -0.84 0.02 0.04 -0.04 2.99 2.16 3lc6A1 LYS 205 HE3 -0.61 0.16 0.11 -0.04 2.99 2.62 3lc6A1 ALA 206 H 0.12 0.32 -0.91 -0.55 8.40 7.39 3lc6A1 ALA 206 HA -0.24 0.26 0.97 -0.75 4.34 4.57 3lc6A1 ALA 206 HB3 -0.10 0.00 -0.02 -0.04 1.41 1.25 3lc6A1 ALA 207 H -0.31 0.49 0.36 -0.55 8.40 8.39 3lc6A1 ALA 207 HA -0.13 0.15 0.70 -0.75 4.34 4.30 3lc6A1 ALA 207 HB3 -0.43 0.00 -0.03 -0.04 1.41 0.91 3lc6A1 TRP 208 H 0.09 0.86 0.19 -0.55 7.97 8.56 3lc6A1 TRP 208 HA -0.02 0.01 0.85 -0.75 4.62 4.70 3lc6A1 TRP 208 HB2 -0.13 0.22 0.16 -0.04 3.23 3.44 3lc6A1 TRP 208 HB3 -0.10 -0.07 -0.11 -0.04 3.23 2.90 3lc6A1 TRP 208 HD1 0.25 0.03 -0.19 -0.04 7.22 7.27 3lc6A1 TRP 208 HE1 0.14 0.07 -0.12 -0.04 10.20 10.24 3lc6A1 TRP 208 HE3 0.02 -0.04 -0.10 -0.04 7.59 7.43 3lc6A1 TRP 208 HZ2 0.03 -0.03 -0.04 -0.04 7.44 7.36 3lc6A1 TRP 208 HZ3 0.09 -0.04 -0.06 -0.04 7.13 7.08 3lc6A1 TRP 208 HH2 0.13 -0.03 -0.04 -0.04 7.19 7.21 3lc6A1 LEU 209 H 0.05 0.27 -0.12 -0.55 8.37 8.03 3lc6A1 LEU 209 HA 0.10 0.09 0.74 -0.75 4.35 4.52 3lc6A1 LEU 209 HB2 0.07 0.21 0.19 -0.04 1.64 2.07 3lc6A1 LEU 209 HB3 0.15 -0.13 0.26 -0.04 1.64 1.88 3lc6A1 LEU 209 HG 0.13 0.02 0.03 -0.04 1.64 1.78 3lc6A1 LEU 209 HD13 0.14 -0.01 -0.04 -0.04 0.93 0.97 3lc6A1 LEU 209 HD23 0.22 -0.00 -0.09 -0.04 0.89 0.98 3lc6A1 VAL 210 H 0.07 0.21 0.20 -0.55 8.24 8.17 3lc6A1 VAL 210 HA 0.13 0.13 0.71 -0.75 4.13 4.34 3lc6A1 VAL 210 HB -0.49 -0.01 -0.04 -0.04 2.12 1.55 3lc6A1 VAL 210 HG13 -0.33 0.02 -0.07 -0.04 0.97 0.55 3lc6A1 VAL 210 HG23 -0.18 0.00 -0.05 -0.04 0.95 0.68 3lc6A1 GLY 211 H 0.25 0.20 0.22 -0.55 8.43 8.55 3lc6A1 GLY 211 HA2 0.65 0.21 0.62 -0.51 4.01 4.97 3lc6A1 GLY 211 HA3 0.27 -0.00 0.24 -0.51 4.01 4.01 3lc6A1 LYS 212 H 0.21 0.35 0.13 -0.55 8.42 8.56 3lc6A1 LYS 212 HA -0.04 0.16 0.82 -0.75 4.32 4.51 3lc6A1 LYS 212 HB2 -0.12 -0.02 0.11 -0.04 1.87 1.80 3lc6A1 LYS 212 HB3 -0.18 0.01 -0.16 -0.04 1.79 1.42 3lc6A1 LYS 212 HG2 -0.42 0.06 -0.25 -0.04 1.46 0.81 3lc6A1 LYS 212 HG3 -0.74 -0.09 -0.30 -0.04 1.46 0.29 3lc6A1 LYS 212 HD2 -0.92 -0.01 -0.07 -0.04 1.69 0.66 3lc6A1 LYS 212 HD3 -0.53 -0.01 -0.12 -0.04 1.68 0.98 3lc6A1 LYS 212 HE2 -0.84 -0.09 -0.12 -0.04 2.99 1.90 3lc6A1 LYS 212 HE3 -2.07 -0.09 -0.14 -0.04 2.99 0.65 3lc6A1 LEU 213 H 0.06 0.58 0.08 -0.55 8.37 8.54 3lc6A1 LEU 213 HA -0.09 0.13 0.90 -0.75 4.35 4.54 3lc6A1 LEU 213 HB2 0.07 -0.08 0.01 -0.04 1.64 1.60 3lc6A1 LEU 213 HB3 0.14 0.15 0.12 -0.04 1.64 2.00 3lc6A1 LEU 213 HG -0.02 -0.02 -0.34 -0.04 1.64 1.22 3lc6A1 LEU 213 HD13 -0.04 0.02 -0.07 -0.04 0.93 0.80 3lc6A1 LEU 213 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.80 3lc6A1 ILE 214 H -0.27 0.27 0.01 -0.55 8.25 7.72 3lc6A1 ILE 214 HA -0.09 -0.06 0.61 -0.75 4.18 3.88 3lc6A1 ILE 214 HB -0.14 -0.01 -0.00 -0.04 1.89 1.70 3lc6A1 ILE 214 HG12 -0.02 -0.09 -0.09 -0.04 1.49 1.26 3lc6A1 ILE 214 HG13 -0.07 0.05 -0.70 -0.04 1.21 0.46 3lc6A1 ILE 214 HG23 -1.06 0.03 0.02 -0.04 0.93 -0.13 3lc6A1 ILE 214 HD13 0.01 0.01 -0.17 -0.04 0.88 0.69 3lc6A1 THR 215 H -0.04 0.54 0.51 -0.55 8.28 8.75 3lc6A1 THR 215 HA 0.01 0.09 0.82 -0.75 4.39 4.56 3lc6A1 THR 215 HB -0.01 -0.23 0.09 -0.04 4.32 4.12 3lc6A1 THR 215 HG23 0.00 -0.02 -0.01 -0.04 1.22 1.15 3lc6A1 PRO 216 HA 0.02 0.07 0.37 -0.51 4.44 4.39 3lc6A1 PRO 216 HB2 0.02 -0.02 0.01 -0.04 2.28 2.24 3lc6A1 PRO 216 HB3 0.03 0.02 0.07 -0.04 2.02 2.09 3lc6A1 PRO 216 HG2 0.04 0.04 0.06 -0.04 2.03 2.13 3lc6A1 PRO 216 HG3 0.05 0.06 0.02 -0.04 2.03 2.12 3lc6A1 PRO 216 HD2 0.04 0.07 0.14 -0.04 3.68 3.89 3lc6A1 PRO 216 HD3 0.04 0.35 -0.11 -0.04 3.65 3.89 3lc6A1 SER 217 H 0.01 0.06 -0.16 -0.55 8.46 7.82 3lc6A1 SER 217 HA 0.00 0.03 0.52 -0.75 4.49 4.29 3lc6A1 SER 217 HB2 -0.01 -0.01 0.06 -0.04 3.95 3.95 3lc6A1 SER 217 HB3 -0.00 -0.01 0.07 -0.04 3.93 3.94 3lc6A1 GLY 218 H -0.01 0.08 -0.07 -0.55 8.43 7.89 3lc6A1 GLY 218 HA2 -0.01 0.15 0.61 -0.51 4.01 4.24 3lc6A1 GLY 218 HA3 -0.02 -0.03 0.27 -0.51 4.01 3.72 3lc6A1 THR 219 H -0.03 0.19 0.20 -0.55 8.28 8.09 3lc6A1 THR 219 HA -0.05 0.08 1.13 -0.75 4.39 4.80 3lc6A1 THR 219 HB -0.06 -0.04 0.03 -0.04 4.32 4.21 3lc6A1 THR 219 HG23 -0.05 0.00 0.04 -0.04 1.22 1.17 3lc6A1 LEU 220 H -0.05 0.50 0.07 -0.55 8.37 8.35 3lc6A1 LEU 220 HA -0.04 0.15 0.86 -0.75 4.35 4.56 3lc6A1 LEU 220 HB2 -0.02 -0.11 -0.28 -0.04 1.64 1.19 3lc6A1 LEU 220 HB3 0.00 0.14 0.06 -0.04 1.64 1.80 3lc6A1 LEU 220 HG -0.01 -0.00 0.22 -0.04 1.64 1.80 3lc6A1 LEU 220 HD13 -0.02 0.00 0.05 -0.04 0.93 0.91 3lc6A1 LEU 220 HD23 -0.01 0.00 0.07 -0.04 0.89 0.91 3lc6A1 PRO 221 HA -0.00 0.11 0.47 -0.51 4.44 4.51 3lc6A1 PRO 221 HB2 0.03 -0.13 -0.23 -0.04 2.28 1.91 3lc6A1 PRO 221 HB3 -0.02 0.02 0.10 -0.04 2.02 2.09 3lc6A1 PRO 221 HG2 -0.02 -0.09 -0.22 -0.04 2.03 1.66 3lc6A1 PRO 221 HG3 -0.06 0.19 0.13 -0.04 2.03 2.25 3lc6A1 PRO 221 HD2 0.00 0.40 0.13 -0.04 3.68 4.16 3lc6A1 PRO 221 HD3 -0.03 0.10 0.28 -0.04 3.65 3.96 3lc6A1 PHE 222 H 0.17 0.27 0.17 -0.55 8.34 8.40 3lc6A1 PHE 222 HA 0.03 0.19 0.74 -0.75 4.62 4.82 3lc6A1 PHE 222 HB2 0.03 0.14 -0.13 -0.04 3.15 3.14 3lc6A1 PHE 222 HB3 0.06 -0.10 -0.36 -0.04 3.06 2.62 3lc6A1 PHE 222 HD2 0.05 0.02 -0.12 -0.04 7.28 7.19 3lc6A1 PHE 222 HE2 0.02 -0.02 -0.14 -0.04 7.38 7.19 3lc6A1 PHE 222 HZ 0.11 -0.06 -0.11 -0.04 7.32 7.22 3lc6A1 LEU 223 H -0.08 0.99 0.32 -0.55 8.37 9.05 3lc6A1 LEU 223 HA 0.20 0.20 0.81 -0.75 4.35 4.81 3lc6A1 LEU 223 HB2 0.14 -0.09 0.14 -0.04 1.64 1.79 3lc6A1 LEU 223 HB3 0.43 -0.00 0.01 -0.04 1.64 2.03 3lc6A1 LEU 223 HG 0.27 0.03 -0.07 -0.04 1.64 1.83 3lc6A1 LEU 223 HD13 0.16 0.00 -0.13 -0.04 0.93 0.93 3lc6A1 LEU 223 HD23 0.10 -0.02 -0.21 -0.04 0.89 0.71 3lc6A1 LEU 224 H 0.14 0.72 0.30 -0.55 8.37 8.98 3lc6A1 LEU 224 HA -0.15 0.13 0.98 -0.75 4.35 4.55 3lc6A1 LEU 224 HB2 0.18 0.08 0.13 -0.04 1.64 1.99 3lc6A1 LEU 224 HB3 0.06 -0.05 0.18 -0.04 1.64 1.79 3lc6A1 LEU 224 HG -0.28 0.08 -0.27 -0.04 1.64 1.12 3lc6A1 LEU 224 HD13 0.46 -0.01 -0.08 -0.04 0.93 1.26 3lc6A1 LEU 224 HD23 -0.04 -0.02 -0.03 -0.04 0.89 0.76 3lc6A1 PRO 225 HA -0.48 0.19 0.66 -0.51 4.44 4.30 3lc6A1 PRO 225 HB2 -0.68 0.02 0.05 -0.04 2.28 1.64 3lc6A1 PRO 225 HB3 -1.89 0.05 0.07 -0.04 2.02 0.20 3lc6A1 PRO 225 HG2 -0.47 0.06 0.06 -0.04 2.03 1.65 3lc6A1 PRO 225 HG3 -0.95 0.00 0.00 -0.04 2.03 1.04 3lc6A1 PRO 225 HD2 -0.32 0.14 0.14 -0.04 3.68 3.60 3lc6A1 PRO 225 HD3 -0.15 0.15 -0.30 -0.04 3.65 3.31 3lc6A1 ILE 226 H -0.29 1.07 0.56 -0.55 8.25 9.04 3lc6A1 ILE 226 HA -0.08 0.03 0.96 -0.75 4.18 4.34 3lc6A1 ILE 226 HB -0.07 0.01 0.00 -0.04 1.89 1.80 3lc6A1 ILE 226 HG12 -0.01 0.05 -0.15 -0.04 1.49 1.34 3lc6A1 ILE 226 HG13 -0.11 0.07 -0.03 -0.04 1.21 1.10 3lc6A1 ILE 226 HG23 0.09 0.00 -0.06 -0.04 0.93 0.93 3lc6A1 ILE 226 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.84 3lc6A1 HIS 227 H -0.06 0.09 -0.03 -0.55 8.41 7.86 3lc6A1 HIS 227 HA -0.03 0.31 0.87 -0.75 4.63 5.02 3lc6A1 HIS 227 HB2 -1.10 0.32 0.10 -0.04 3.26 2.54 3lc6A1 HIS 227 HB3 -0.82 -0.07 0.17 -0.04 3.20 2.45 3lc6A1 HIS 227 HD2 -0.15 -0.02 0.00 -0.04 6.97 6.76 3lc6A1 HIS 227 HE1 -0.31 -0.04 -0.08 -0.04 7.75 7.28 3lc6A1 GLN 228 H -0.05 0.33 0.23 -0.55 8.47 8.44 3lc6A1 GLN 228 HA 0.11 0.01 0.48 -0.75 4.36 4.21 3lc6A1 GLN 228 HB2 -0.08 0.14 -0.31 -0.04 2.15 1.85 3lc6A1 GLN 228 HB3 0.07 0.03 -0.17 -0.04 2.02 1.91 3lc6A1 GLN 228 HG2 0.07 -0.12 -0.59 -0.04 2.40 1.72 3lc6A1 GLN 228 HG3 -0.03 0.05 -0.53 -0.04 2.39 1.83 3lc6A1 GLN 228 HE21 -0.27 0.24 -0.12 -0.04 6.97 6.77 3lc6A1 GLN 228 HE22 -0.51 -0.03 -0.18 -0.04 7.69 6.93 3lc6A1 THR 229 H 0.19 0.71 0.19 -0.55 8.28 8.81 3lc6A1 THR 229 HA 0.21 0.12 0.87 -0.75 4.39 4.84 3lc6A1 THR 229 HB 0.11 -0.35 0.38 -0.04 4.32 4.42 3lc6A1 THR 229 HG23 0.07 0.01 -0.10 -0.04 1.22 1.15 3lc6A1 ASP 230 H 0.08 0.23 0.06 -0.55 8.40 8.22 3lc6A1 ASP 230 HA 0.09 0.04 0.10 -0.75 4.63 4.11 3lc6A1 ASP 230 HB2 -0.00 -0.02 0.19 -0.04 2.71 2.83 3lc6A1 ASP 230 HB3 -0.01 0.05 0.04 -0.04 2.70 2.73 3lc6A1 ASP 231 H 0.06 0.07 0.08 -0.55 8.40 8.06 3lc6A1 ASP 231 HA 0.11 0.00 0.26 -0.75 4.63 4.25 3lc6A1 ASP 231 HB2 0.07 0.06 0.14 -0.04 2.71 2.94 3lc6A1 ASP 231 HB3 0.12 0.01 -0.09 -0.04 2.70 2.70 3lc6A1 GLY 232 H 0.06 0.86 0.32 -0.55 8.43 9.11 3lc6A1 GLY 232 HA2 0.03 0.18 0.88 -0.51 4.01 4.58 3lc6A1 GLY 232 HA3 0.06 -0.05 0.31 -0.51 4.01 3.82 3lc6A1 GLU 233 H 0.09 0.19 0.30 -0.55 8.60 8.63 3lc6A1 GLU 233 HA 0.06 0.33 0.77 -0.75 4.29 4.69 3lc6A1 GLU 233 HB2 0.13 0.03 -0.04 -0.04 2.09 2.17 3lc6A1 GLU 233 HB3 0.12 0.05 -0.04 -0.04 1.99 2.09 3lc6A1 GLU 233 HG2 0.09 -0.04 0.20 -0.04 2.34 2.55 3lc6A1 GLU 233 HG3 0.11 -0.02 0.03 -0.04 2.34 2.42 3lc6A1 LEU 234 H 0.05 0.27 0.24 -0.55 8.37 8.38 3lc6A1 LEU 234 HA 0.18 0.02 0.67 -0.75 4.35 4.47 3lc6A1 LEU 234 HB2 0.02 0.34 0.15 -0.04 1.64 2.11 3lc6A1 LEU 234 HB3 -0.06 0.01 0.06 -0.04 1.64 1.62 3lc6A1 LEU 234 HG -0.25 0.05 -0.05 -0.04 1.64 1.35 3lc6A1 LEU 234 HD13 -0.32 0.02 0.01 -0.04 0.93 0.60 3lc6A1 LEU 234 HD23 -0.41 -0.08 0.03 -0.04 0.89 0.39 3lc6A1 PHE 235 H -0.09 0.22 -0.18 -0.55 8.34 7.74 3lc6A1 PHE 235 HA 0.16 0.04 0.93 -0.75 4.62 5.00 3lc6A1 PHE 235 HB2 0.11 0.12 -0.05 -0.04 3.15 3.29 3lc6A1 PHE 235 HB3 0.11 -0.02 -0.16 -0.04 3.06 2.95 3lc6A1 PHE 235 HD2 0.06 0.04 -0.16 -0.04 7.28 7.18 3lc6A1 PHE 235 HE2 0.02 0.04 -0.18 -0.04 7.38 7.22 3lc6A1 PHE 235 HZ 0.12 0.03 -0.01 -0.04 7.32 7.42 3lc6A1 ILE 236 H 0.22 0.08 0.15 -0.55 8.25 8.14 3lc6A1 ILE 236 HA -0.06 0.16 0.76 -0.75 4.18 4.29 3lc6A1 ILE 236 HB 0.16 -0.10 0.13 -0.04 1.89 2.05 3lc6A1 ILE 236 HG12 0.08 0.04 -0.00 -0.04 1.49 1.56 3lc6A1 ILE 236 HG13 0.23 -0.07 0.07 -0.04 1.21 1.40 3lc6A1 ILE 236 HG23 0.01 0.03 -0.23 -0.04 0.93 0.70 3lc6A1 ILE 236 HD13 0.13 0.02 -0.04 -0.04 0.88 0.95 3lc6A1 ASP 237 H -0.30 0.75 0.32 -0.55 8.40 8.63 3lc6A1 ASP 237 HA 0.00 0.08 1.05 -0.75 4.63 5.01 3lc6A1 ASP 237 HB2 -0.18 0.13 -0.25 -0.04 2.71 2.38 3lc6A1 ASP 237 HB3 -0.73 0.02 0.07 -0.04 2.70 2.01 3lc6A1 THR 238 H -1.00 0.16 0.08 -0.55 8.28 6.97 3lc6A1 THR 238 HA -1.54 0.05 0.27 -0.75 4.39 2.42 3lc6A1 THR 238 HB -0.97 0.02 -0.47 -0.04 4.32 2.85 3lc6A1 THR 238 HG23 -0.80 0.01 -0.13 -0.04 1.22 0.25 3lc6A1 CYS 239 H -0.38 0.10 -0.08 -0.55 8.50 7.60 3lc6A1 CYS 239 HA -0.41 -0.07 0.63 -0.75 4.58 3.97 3lc6A1 CYS 239 HB2 -0.33 -0.11 -0.02 -0.04 2.97 2.46 3lc6A1 CYS 239 HB3 -0.97 0.01 0.10 -0.04 2.97 2.08 3lc6A1 LEU 240 H -0.24 0.15 0.08 -0.55 8.37 7.82 3lc6A1 LEU 240 HA -0.13 0.14 0.96 -0.75 4.35 4.56 3lc6A1 LEU 240 HB2 0.07 0.00 0.10 -0.04 1.64 1.77 3lc6A1 LEU 240 HB3 0.03 -0.12 0.05 -0.04 1.64 1.56 3lc6A1 LEU 240 HG -0.18 0.10 -0.19 -0.04 1.64 1.33 3lc6A1 LEU 240 HD13 0.22 0.01 -0.06 -0.04 0.93 1.06 3lc6A1 LEU 240 HD23 0.03 -0.01 0.03 -0.04 0.89 0.89 3lc6A1 THR 241 H -0.01 -0.00 0.22 -0.55 8.28 7.94 3lc6A1 THR 241 HA 0.04 0.16 0.28 -0.75 4.39 4.11 3lc6A1 THR 241 HB 0.12 -0.04 -0.04 -0.04 4.32 4.32 3lc6A1 THR 241 HG23 0.10 0.13 0.15 -0.04 1.22 1.56 3lc6A1 THR 242 H 0.01 -0.02 0.16 -0.55 8.28 7.88 3lc6A1 THR 242 HA 0.01 0.36 0.91 -0.75 4.39 4.91 3lc6A1 THR 242 HB 0.00 -0.22 0.07 -0.04 4.32 4.13 3lc6A1 THR 242 HG23 0.00 0.06 0.03 -0.04 1.22 1.27 3lc6A1 THR 243 H -0.01 0.28 0.25 -0.55 8.28 8.25 3lc6A1 THR 243 HA -0.02 0.21 0.57 -0.75 4.39 4.40 3lc6A1 THR 243 HB -0.01 -0.05 0.13 -0.04 4.32 4.35 3lc6A1 THR 243 HG23 -0.02 0.02 -0.02 -0.04 1.22 1.16 3lc6A1 ALA 244 H -0.01 0.10 -0.10 -0.55 8.40 7.85 3lc6A1 ALA 244 HA -0.04 0.10 0.46 -0.75 4.34 4.10 3lc6A1 ALA 244 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 3lc6A1 GLU 245 H 0.01 0.03 -0.32 -0.55 8.60 7.77 3lc6A1 GLU 245 HA 0.02 0.15 0.73 -0.75 4.29 4.43 3lc6A1 GLU 245 HB2 0.03 -0.15 0.18 -0.04 2.09 2.11 3lc6A1 GLU 245 HB3 0.07 0.03 -0.02 -0.04 1.99 2.04 3lc6A1 GLU 245 HG2 0.03 -0.02 0.02 -0.04 2.34 2.32 3lc6A1 GLU 245 HG3 0.05 0.03 0.06 -0.04 2.34 2.44 3lc6A1 ALA 246 H 0.02 0.70 0.06 -0.55 8.40 8.64 3lc6A1 ALA 246 HA 0.12 -0.00 0.41 -0.75 4.34 4.11 3lc6A1 ALA 246 HB3 -0.02 -0.00 0.07 -0.04 1.41 1.42 3lc6A1 SER 247 H 0.01 0.42 -0.24 -0.55 8.46 8.11 3lc6A1 SER 247 HA 0.07 0.05 0.24 -0.75 4.49 4.09 3lc6A1 SER 247 HB2 -0.03 0.06 0.01 -0.04 3.95 3.95 3lc6A1 SER 247 HB3 0.03 -0.05 -0.04 -0.04 3.93 3.83 3lc6A1 ILE 248 H -0.01 0.22 -0.35 -0.55 8.25 7.56 3lc6A1 ILE 248 HA -0.02 -0.01 0.35 -0.75 4.18 3.75 3lc6A1 ILE 248 HB 0.02 0.09 0.14 -0.04 1.89 2.10 3lc6A1 ILE 248 HG12 -0.06 0.23 0.30 -0.04 1.49 1.93 3lc6A1 ILE 248 HG13 -0.07 -0.09 0.03 -0.04 1.21 1.04 3lc6A1 ILE 248 HG23 0.03 -0.02 -0.10 -0.04 0.93 0.79 3lc6A1 ILE 248 HD13 -0.42 -0.07 -0.04 -0.04 0.88 0.30 3lc6A1 VAL 249 H 0.04 0.44 0.01 -0.55 8.24 8.17 3lc6A1 VAL 249 HA -0.14 -0.02 0.31 -0.75 4.13 3.53 3lc6A1 VAL 249 HB -0.15 -0.04 0.11 -0.04 2.12 2.00 3lc6A1 VAL 249 HG13 0.19 0.12 0.11 -0.04 0.97 1.35 3lc6A1 VAL 249 HG23 -1.16 -0.02 -0.20 -0.04 0.95 -0.46 3lc6A1 PHE 250 H 0.22 0.35 -0.52 -0.55 8.34 7.83 3lc6A1 PHE 250 HA 0.06 0.10 0.34 -0.75 4.62 4.37 3lc6A1 PHE 250 HB2 0.01 0.19 0.03 -0.04 3.15 3.35 3lc6A1 PHE 250 HB3 0.08 -0.09 0.11 -0.04 3.06 3.11 3lc6A1 PHE 250 HD2 0.07 0.06 -0.02 -0.04 7.28 7.35 3lc6A1 PHE 250 HE2 0.04 -0.06 -0.11 -0.04 7.38 7.22 3lc6A1 PHE 250 HZ -0.43 -0.04 -0.11 -0.04 7.32 6.70 3lc6A1 GLY 251 H -0.01 0.53 -0.64 -0.55 8.43 7.76 3lc6A1 GLY 251 HA2 0.10 -0.01 0.23 -0.51 4.01 3.81 3lc6A1 GLY 251 HA3 -0.04 -0.01 0.32 -0.51 4.01 3.77 3lc6A1 PHE 252 H 0.12 0.10 0.15 -0.55 8.34 8.16 3lc6A1 PHE 252 HA 0.13 0.20 0.53 -0.75 4.62 4.72 3lc6A1 PHE 252 HB2 0.08 -0.03 0.17 -0.04 3.15 3.33 3lc6A1 PHE 252 HB3 0.08 -0.01 0.14 -0.04 3.06 3.22 3lc6A1 PHE 252 HD2 0.05 -0.04 -0.06 -0.04 7.28 7.18 3lc6A1 PHE 252 HE2 0.05 0.00 -0.10 -0.04 7.38 7.29 3lc6A1 PHE 252 HZ 0.03 0.04 -0.12 -0.04 7.32 7.23 3lc6A1 ALA 253 H -0.44 0.03 -0.33 -0.55 8.40 7.11 3lc6A1 ALA 253 HA -0.12 0.38 0.82 -0.75 4.34 4.67 3lc6A1 ALA 253 HB3 -0.34 -0.05 -0.19 -0.04 1.41 0.79 3lc6A1 ARG 254 H -0.13 0.43 -0.29 -0.55 8.46 7.92 3lc6A1 ARG 254 HA -0.15 -0.18 0.86 -0.75 4.34 4.12 3lc6A1 ARG 254 HB2 -0.20 0.28 -0.09 -0.04 1.90 1.85 3lc6A1 ARG 254 HB3 -0.16 -0.12 0.02 -0.04 1.80 1.50 3lc6A1 ARG 254 HG2 -0.12 -0.07 -0.40 -0.04 1.67 1.04 3lc6A1 ARG 254 HG3 -0.13 -0.09 -0.12 -0.04 1.67 1.29 3lc6A1 ARG 254 HD2 -0.13 0.26 0.00 -0.04 3.22 3.31 3lc6A1 ARG 254 HD3 -0.15 -0.03 -0.07 -0.04 3.22 2.94 3lc6A1 SER 255 H -0.21 -0.12 0.16 -0.55 8.46 7.74 3lc6A1 SER 255 HA -0.54 0.07 0.33 -0.75 4.49 3.59 3lc6A1 SER 255 HB2 -0.22 0.02 0.09 -0.04 3.95 3.79 3lc6A1 SER 255 HB3 -0.25 0.05 0.12 -0.04 3.93 3.82 3lc6A1 TYR 256 H -0.49 0.01 0.12 -0.55 8.29 7.38 3lc6A1 TYR 256 HA -0.14 0.10 0.30 -0.75 4.56 4.07 3lc6A1 TYR 256 HB2 0.02 -0.03 0.11 -0.04 3.06 3.12 3lc6A1 TYR 256 HB3 0.07 -0.01 0.26 -0.04 2.98 3.26 3lc6A1 TYR 256 HD2 0.03 0.05 -0.07 -0.04 7.15 7.12 3lc6A1 TYR 256 HE2 0.05 0.00 0.01 -0.04 6.85 6.87 3lc6A1 PHE 257 H 0.27 1.90 0.51 -0.55 8.34 10.47 3lc6A1 PHE 257 HA 0.02 0.28 1.12 -0.75 4.62 5.28 3lc6A1 PHE 257 HB2 0.08 -0.05 -0.17 -0.04 3.15 2.97 3lc6A1 PHE 257 HB3 -0.04 -0.12 -0.18 -0.04 3.06 2.67 3lc6A1 PHE 257 HD2 -0.06 0.23 -0.26 -0.04 7.28 7.14 3lc6A1 PHE 257 HE2 -0.78 -0.05 -0.41 -0.04 7.38 6.10 3lc6A1 PHE 257 HZ -1.62 -0.06 -0.20 -0.04 7.32 5.40 3lc6A1 MET 258 H 0.33 0.77 0.27 -0.55 8.47 9.30 3lc6A1 MET 258 HA 0.02 0.17 0.85 -0.75 4.52 4.81 3lc6A1 MET 258 HB2 0.21 0.00 0.27 -0.04 2.15 2.59 3lc6A1 MET 258 HB3 0.07 0.05 0.21 -0.04 2.03 2.31 3lc6A1 MET 258 HG2 0.03 0.02 -0.07 -0.04 2.63 2.57 3lc6A1 MET 258 HG3 0.01 -0.04 -0.00 -0.04 2.56 2.49 3lc6A1 MET 258 HE3 -0.06 0.00 -0.17 -0.04 2.10 1.83 3lc6A1 VAL 259 H -0.01 0.44 -0.17 -0.55 8.24 7.96 3lc6A1 VAL 259 HA -0.14 0.17 0.72 -0.75 4.13 4.13 3lc6A1 VAL 259 HB -0.18 -0.01 0.10 -0.04 2.12 2.00 3lc6A1 VAL 259 HG13 -0.45 0.01 -0.23 -0.04 0.97 0.26 3lc6A1 VAL 259 HG23 -0.83 0.00 -0.15 -0.04 0.95 -0.07 3lc6A1 TYR 260 H 0.15 0.18 -0.03 -0.55 8.29 8.05 3lc6A1 TYR 260 HA 0.01 0.09 0.44 -0.75 4.56 4.34 3lc6A1 TYR 260 HB2 0.02 0.05 -0.05 -0.04 3.06 3.04 3lc6A1 TYR 260 HB3 0.03 -0.06 0.18 -0.04 2.98 3.09 3lc6A1 TYR 260 HD2 0.03 0.02 0.07 -0.04 7.15 7.22 3lc6A1 TYR 260 HE2 0.05 0.02 -0.04 -0.04 6.85 6.83 3lc6A1 ALA 261 H -0.01 0.50 0.22 -0.55 8.40 8.57 3lc6A1 ALA 261 HA -0.06 0.22 0.99 -0.75 4.34 4.73 3lc6A1 ALA 261 HB3 0.05 0.01 -0.07 -0.04 1.41 1.36 3lc6A1 PRO 262 HA 0.17 0.16 0.74 -0.51 4.44 5.00 3lc6A1 PRO 262 HB2 -0.05 0.01 -0.04 -0.04 2.28 2.16 3lc6A1 PRO 262 HB3 -0.06 0.04 0.10 -0.04 2.02 2.06 3lc6A1 PRO 262 HG2 -0.06 0.04 0.01 -0.04 2.03 1.98 3lc6A1 PRO 262 HG3 -0.47 0.05 -0.09 -0.04 2.03 1.48 3lc6A1 PRO 262 HD2 -0.05 0.07 0.19 -0.04 3.68 3.84 3lc6A1 PRO 262 HD3 -0.39 0.37 -0.05 -0.04 3.65 3.54 3lc6A1 LEU 263 H 0.02 0.21 -0.10 -0.55 8.37 7.96 3lc6A1 LEU 263 HA 0.03 0.16 0.48 -0.75 4.35 4.27 3lc6A1 LEU 263 HB2 0.02 0.01 0.04 -0.04 1.64 1.66 3lc6A1 LEU 263 HB3 0.05 -0.06 0.14 -0.04 1.64 1.73 3lc6A1 LEU 263 HG 0.05 0.26 0.11 -0.04 1.64 2.02 3lc6A1 LEU 263 HD13 0.07 -0.04 0.03 -0.04 0.93 0.95 3lc6A1 LEU 263 HD23 -0.01 0.03 0.02 -0.04 0.89 0.89 3lc6A1 PRO 264 HA 0.10 0.20 0.82 -0.51 4.44 5.04 3lc6A1 PRO 264 HB2 0.25 0.03 -0.04 -0.04 2.28 2.48 3lc6A1 PRO 264 HB3 0.17 0.13 0.05 -0.04 2.02 2.33 3lc6A1 PRO 264 HG2 0.14 -0.00 0.05 -0.04 2.03 2.17 3lc6A1 PRO 264 HG3 0.25 0.22 -0.05 -0.04 2.03 2.41 3lc6A1 PRO 264 HD2 0.07 -0.05 0.21 -0.04 3.68 3.86 3lc6A1 PRO 264 HD3 0.10 0.30 -0.16 -0.04 3.65 3.85 3lc6A1 ALA 265 H 0.10 0.21 0.12 -0.55 8.40 8.29 3lc6A1 ALA 265 HA -0.03 0.08 0.36 -0.75 4.34 4.00 3lc6A1 ALA 265 HB3 0.05 0.03 0.11 -0.04 1.41 1.55 3lc6A1 ALA 266 H 0.07 0.01 -0.52 -0.55 8.40 7.42 3lc6A1 ALA 266 HA 0.13 0.22 0.74 -0.75 4.34 4.68 3lc6A1 ALA 266 HB3 0.10 0.04 -0.11 -0.04 1.41 1.39 3lc6A1 LEU 267 H 0.07 0.08 -0.19 -0.55 8.37 7.79 3lc6A1 LEU 267 HA 0.15 0.08 0.42 -0.75 4.35 4.24 3lc6A1 LEU 267 HB2 0.08 0.10 0.21 -0.04 1.64 2.00 3lc6A1 LEU 267 HB3 0.09 -0.03 0.28 -0.04 1.64 1.93 3lc6A1 LEU 267 HG 0.20 -0.04 -0.18 -0.04 1.64 1.58 3lc6A1 LEU 267 HD13 0.24 0.00 0.07 -0.04 0.93 1.20 3lc6A1 LEU 267 HD23 0.05 -0.00 -0.02 -0.04 0.89 0.88 3lc6A1 VAL 268 H -0.03 0.92 -0.10 -0.55 8.24 8.49 3lc6A1 VAL 268 HA -0.06 0.03 0.37 -0.75 4.13 3.72 3lc6A1 VAL 268 HB -0.40 0.07 -0.06 -0.04 2.12 1.69 3lc6A1 VAL 268 HG13 -0.47 -0.01 -0.07 -0.04 0.97 0.37 3lc6A1 VAL 268 HG23 -0.41 0.10 -0.17 -0.04 0.95 0.43 3lc6A1 GLU 269 H 0.03 0.33 -0.87 -0.55 8.60 7.54 3lc6A1 GLU 269 HA 0.03 0.07 0.61 -0.75 4.29 4.25 3lc6A1 GLU 269 HB2 0.15 -0.02 0.08 -0.04 2.09 2.26 3lc6A1 GLU 269 HB3 0.15 0.39 0.14 -0.04 1.99 2.63 3lc6A1 GLU 269 HG2 0.18 -0.05 -0.08 -0.04 2.34 2.35 3lc6A1 GLU 269 HG3 0.13 0.01 -0.23 -0.04 2.34 2.21 3lc6A1 TRP 270 H 0.28 0.31 -0.05 -0.55 7.97 7.95 3lc6A1 TRP 270 HA 0.01 0.10 0.47 -0.75 4.62 4.45 3lc6A1 TRP 270 HB2 0.04 0.03 0.09 -0.04 3.23 3.35 3lc6A1 TRP 270 HB3 0.03 0.04 0.06 -0.04 3.23 3.32 3lc6A1 TRP 270 HD1 0.02 0.01 -0.05 -0.04 7.22 7.17 3lc6A1 TRP 270 HE1 0.02 -0.01 -0.09 -0.04 10.20 10.08 3lc6A1 TRP 270 HE3 -0.02 -0.01 -0.27 -0.04 7.59 7.25 3lc6A1 TRP 270 HZ2 0.01 0.05 -0.04 -0.04 7.44 7.42 3lc6A1 TRP 270 HZ3 -0.09 -0.09 -0.26 -0.04 7.13 6.66 3lc6A1 TRP 270 HH2 -0.00 -0.02 0.02 -0.04 7.19 7.15 3lc6A1 LEU 271 H 0.17 0.42 -0.15 -0.55 8.37 8.26 3lc6A1 LEU 271 HA -0.13 0.08 0.46 -0.75 4.35 4.00 3lc6A1 LEU 271 HB2 -0.07 0.06 -0.10 -0.04 1.64 1.49 3lc6A1 LEU 271 HB3 -0.18 -0.04 0.03 -0.04 1.64 1.41 3lc6A1 LEU 271 HG 0.29 0.14 0.08 -0.04 1.64 2.11 3lc6A1 LEU 271 HD13 0.20 -0.02 -0.09 -0.04 0.93 0.99 3lc6A1 LEU 271 HD23 0.30 -0.00 -0.09 -0.04 0.89 1.05 3lc6A1 ARG 272 H -0.05 0.20 -0.74 -0.55 8.46 7.32 3lc6A1 ARG 272 HA -0.08 0.07 0.25 -0.75 4.34 3.83 3lc6A1 ARG 272 HB2 -0.03 0.10 0.13 -0.04 1.90 2.05 3lc6A1 ARG 272 HB3 -0.04 0.09 -0.11 -0.04 1.80 1.70 3lc6A1 ARG 272 HG2 0.01 -0.05 -0.02 -0.04 1.67 1.57 3lc6A1 ARG 272 HG3 -0.03 0.02 0.05 -0.04 1.67 1.68 3lc6A1 ARG 272 HD2 -0.07 0.01 -0.02 -0.04 3.22 3.09 3lc6A1 ARG 272 HD3 -0.04 0.02 0.01 -0.04 3.22 3.18 3lc6A1 GLU 273 H -0.21 0.18 -0.79 -0.55 8.60 7.24 3lc6A1 GLU 273 HA -0.12 0.21 0.78 -0.75 4.29 4.41 3lc6A1 GLU 273 HB2 -0.24 -0.01 -0.10 -0.04 2.09 1.70 3lc6A1 GLU 273 HB3 -0.13 -0.01 0.01 -0.04 1.99 1.82 3lc6A1 GLU 273 HG2 -0.12 -0.01 -0.18 -0.04 2.34 1.99 3lc6A1 GLU 273 HG3 -0.24 0.07 -0.15 -0.04 2.34 1.98 3lc6A1 ILE 274 H -0.23 0.27 -0.21 -0.55 8.25 7.53 3lc6A1 ILE 274 HA -0.17 0.12 0.78 -0.75 4.18 4.16 3lc6A1 ILE 274 HB -0.25 0.07 0.10 -0.04 1.89 1.77 3lc6A1 ILE 274 HG12 -0.27 0.02 -0.11 -0.04 1.49 1.09 3lc6A1 ILE 274 HG13 -0.46 0.07 -0.09 -0.04 1.21 0.69 3lc6A1 ILE 274 HG23 -0.15 -0.04 -0.06 -0.04 0.93 0.64 3lc6A1 ILE 274 HD13 -0.03 -0.03 -0.14 -0.04 0.88 0.65 3lc6A1 LEU 275 H -0.15 0.43 -0.23 -0.55 8.37 7.87 3lc6A1 LEU 275 HA -0.09 0.14 0.79 -0.75 4.35 4.43 3lc6A1 LEU 275 HB2 -0.17 0.07 0.03 -0.04 1.64 1.53 3lc6A1 LEU 275 HB3 -0.09 -0.09 -0.01 -0.04 1.64 1.40 3lc6A1 LEU 275 HG -0.23 0.07 -0.47 -0.04 1.64 0.96 3lc6A1 LEU 275 HD13 -0.71 -0.01 -0.15 -0.04 0.93 0.02 3lc6A1 LEU 275 HD23 -0.14 0.01 -0.20 -0.04 0.89 0.51 3lc6A1 PRO 276 HA -0.05 0.30 0.17 -0.51 4.44 4.35 3lc6A1 PRO 276 HB2 -0.02 -0.03 -0.01 -0.04 2.28 2.18 3lc6A1 PRO 276 HB3 -0.03 0.06 0.05 -0.04 2.02 2.06 3lc6A1 PRO 276 HG2 -0.03 -0.02 0.01 -0.04 2.03 1.95 3lc6A1 PRO 276 HG3 -0.06 0.15 -0.09 -0.04 2.03 1.99 3lc6A1 PRO 276 HD2 -0.04 0.01 0.06 -0.04 3.68 3.67 3lc6A1 PRO 276 HD3 -0.07 0.31 -0.45 -0.04 3.65 3.40 3lc6A1 GLY 277 H -0.01 0.05 -0.22 -0.55 8.43 7.70 3lc6A1 GLY 277 HA2 0.01 0.08 0.31 -0.51 4.01 3.91 3lc6A1 GLY 277 HA3 0.01 -0.06 0.25 -0.51 4.01 3.70 3lc6A1 LYS 278 H -0.01 0.34 -0.41 -0.55 8.42 7.78 3lc6A1 LYS 278 HA 0.03 -0.04 0.26 -0.75 4.32 3.81 3lc6A1 LYS 278 HB2 -0.04 0.31 0.04 -0.04 1.87 2.14 3lc6A1 LYS 278 HB3 -0.01 -0.07 -0.05 -0.04 1.79 1.62 3lc6A1 LYS 278 HG2 0.05 -0.05 -0.07 -0.04 1.46 1.34 3lc6A1 LYS 278 HG3 0.00 -0.04 -0.08 -0.04 1.46 1.30 3lc6A1 LYS 278 HD2 0.01 0.02 -0.10 -0.04 1.69 1.57 3lc6A1 LYS 278 HD3 0.07 -0.10 -0.10 -0.04 1.68 1.51 3lc6A1 LYS 278 HE2 0.10 -0.07 -0.10 -0.04 2.99 2.89 3lc6A1 LYS 278 HE3 0.20 0.28 -0.06 -0.04 2.99 3.37 3lc6A1 THR 279 H 0.02 0.01 0.18 -0.55 8.28 7.94 3lc6A1 THR 279 HA 0.02 0.26 0.50 -0.75 4.39 4.42 3lc6A1 THR 279 HB 0.05 -0.28 0.07 -0.04 4.32 4.11 3lc6A1 THR 279 HG23 0.06 0.07 0.03 -0.04 1.22 1.34 3lc6A1 THR 280 H 0.02 0.25 0.17 -0.55 8.28 8.17 3lc6A1 THR 280 HA -0.16 0.20 0.42 -0.75 4.39 4.10 3lc6A1 THR 280 HB 0.04 -0.01 -0.03 -0.04 4.32 4.27 3lc6A1 THR 280 HG23 -0.20 0.02 0.03 -0.04 1.22 1.03 3lc6A1 ALA 281 H 0.04 0.05 -0.30 -0.55 8.40 7.64 3lc6A1 ALA 281 HA 0.16 0.17 0.69 -0.75 4.34 4.61 3lc6A1 ALA 281 HB3 0.12 0.04 0.03 -0.04 1.41 1.55 3lc6A1 GLU 282 H 0.01 0.12 -0.24 -0.55 8.60 7.95 3lc6A1 GLU 282 HA 0.04 0.18 0.77 -0.75 4.29 4.52 3lc6A1 GLU 282 HB2 0.03 0.04 0.08 -0.04 2.09 2.20 3lc6A1 GLU 282 HB3 0.08 0.14 0.09 -0.04 1.99 2.26 3lc6A1 GLU 282 HG2 0.04 0.07 0.00 -0.04 2.34 2.42 3lc6A1 GLU 282 HG3 0.04 -0.16 0.09 -0.04 2.34 2.27 3lc6A1 LEU 283 H -0.06 0.24 -0.28 -0.55 8.37 7.72 3lc6A1 LEU 283 HA 0.01 0.15 0.64 -0.75 4.35 4.41 3lc6A1 LEU 283 HB2 -0.23 0.08 0.03 -0.04 1.64 1.47 3lc6A1 LEU 283 HB3 -0.16 -0.04 0.03 -0.04 1.64 1.43 3lc6A1 LEU 283 HG -0.05 -0.12 -0.17 -0.04 1.64 1.26 3lc6A1 LEU 283 HD13 -0.10 0.09 -0.20 -0.04 0.93 0.67 3lc6A1 LEU 283 HD23 -0.09 0.01 -0.12 -0.04 0.89 0.65 3lc6A1 TYR 284 H -0.03 0.11 -0.28 -0.55 8.29 7.54 3lc6A1 TYR 284 HA -0.04 0.09 0.71 -0.75 4.56 4.57 3lc6A1 TYR 284 HB2 -0.05 -0.03 0.01 -0.04 3.06 2.95 3lc6A1 TYR 284 HB3 -0.04 0.23 0.04 -0.04 2.98 3.17 3lc6A1 TYR 284 HD2 -0.10 -0.01 -0.06 -0.04 7.15 6.93 3lc6A1 TYR 284 HE2 -0.31 -0.08 -0.12 -0.04 6.85 6.31 3lc6A1 MET 285 H -0.02 0.07 -0.54 -0.55 8.47 7.43 3lc6A1 MET 285 HA -0.42 -0.00 0.26 -0.75 4.52 3.61 3lc6A1 MET 285 HB2 -0.14 0.17 0.13 -0.04 2.15 2.27 3lc6A1 MET 285 HB3 -0.96 0.06 -0.00 -0.04 2.03 1.09 3lc6A1 MET 285 HG2 -0.17 -0.09 0.11 -0.04 2.63 2.43 3lc6A1 MET 285 HG3 -0.04 0.44 0.33 -0.04 2.56 3.24 3lc6A1 MET 285 HE3 0.03 -0.03 -0.08 -0.04 2.10 1.97 3lc6A1 ALA 286 H 0.03 0.36 -0.17 -0.55 8.40 8.07 3lc6A1 ALA 286 HA 0.30 0.08 0.31 -0.75 4.34 4.28 3lc6A1 ALA 286 HB3 0.44 0.05 0.05 -0.04 1.41 1.91 3lc6A1 ILE 287 H 0.17 0.23 -0.28 -0.55 8.25 7.82 3lc6A1 ILE 287 HA 0.16 0.03 0.38 -0.75 4.18 4.00 3lc6A1 ILE 287 HB 0.14 0.02 0.13 -0.04 1.89 2.13 3lc6A1 ILE 287 HG12 0.14 0.03 -0.08 -0.04 1.49 1.55 3lc6A1 ILE 287 HG13 0.18 -0.19 -0.07 -0.04 1.21 1.09 3lc6A1 ILE 287 HG23 0.11 -0.00 0.01 -0.04 0.93 1.00 3lc6A1 ILE 287 HD13 0.19 -0.03 0.04 -0.04 0.88 1.04 3lc6A1 GLY 288 H 0.11 0.39 -0.69 -0.55 8.43 7.69 3lc6A1 GLY 288 HA2 0.22 0.03 0.35 -0.51 4.01 4.10 3lc6A1 GLY 288 HA3 0.28 0.20 0.83 -0.51 4.01 4.82 3lc6A1 CYS 289 H 0.16 0.13 -0.20 -0.55 8.50 8.04 3lc6A1 CYS 289 HA -0.03 0.04 0.69 -0.75 4.58 4.53 3lc6A1 CYS 289 HB2 0.12 0.08 0.20 -0.04 2.97 3.33 3lc6A1 CYS 289 HB3 -0.06 -0.19 0.16 -0.04 2.97 2.83 3lc6A1 GLN 290 H 0.04 0.61 0.05 -0.55 8.47 8.63 3lc6A1 GLN 290 HA -0.10 0.07 0.52 -0.75 4.36 4.10 3lc6A1 GLN 290 HB2 -0.14 0.05 0.12 -0.04 2.15 2.13 3lc6A1 GLN 290 HB3 0.06 0.18 0.13 -0.04 2.02 2.36 3lc6A1 GLN 290 HG2 -0.02 -0.09 -0.47 -0.04 2.40 1.77 3lc6A1 GLN 290 HG3 0.07 0.05 0.05 -0.04 2.39 2.51 3lc6A1 GLN 290 HE21 0.04 0.05 0.04 -0.04 6.97 7.07 3lc6A1 GLN 290 HE22 0.01 -0.05 0.01 -0.04 7.69 7.62 3lc6A1 LYS 291 H -0.05 0.16 -0.04 -0.55 8.42 7.94 3lc6A1 LYS 291 HA -0.16 0.18 0.66 -0.75 4.32 4.25 3lc6A1 LYS 291 HB2 -0.25 0.00 0.07 -0.04 1.87 1.64 3lc6A1 LYS 291 HB3 -0.72 0.04 0.10 -0.04 1.79 1.17 3lc6A1 LYS 291 HG2 -0.24 0.00 -0.01 -0.04 1.46 1.18 3lc6A1 LYS 291 HG3 -0.63 0.04 0.06 -0.04 1.46 0.88 3lc6A1 LYS 291 HD2 -1.11 -0.01 0.04 -0.04 1.69 0.57 3lc6A1 LYS 291 HD3 -0.34 0.00 0.06 -0.04 1.68 1.37 3lc6A1 LYS 291 HE2 -0.14 0.07 0.03 -0.04 2.99 2.91 3lc6A1 LYS 291 HE3 -0.28 -0.02 0.03 -0.04 2.99 2.68 3lc6A1 HIS 292 H 0.01 0.17 -0.40 -0.55 8.41 7.65 3lc6A1 HIS 292 HA -0.11 0.20 0.87 -0.75 4.63 4.84 3lc6A1 HIS 292 HB2 -0.27 -0.01 -0.01 -0.04 3.26 2.93 3lc6A1 HIS 292 HB3 -0.59 0.12 -0.05 -0.04 3.20 2.64 3lc6A1 HIS 292 HD2 -0.35 -0.09 -0.36 -0.04 6.97 6.13 3lc6A1 HIS 292 HE1 -0.03 0.03 -0.07 -0.04 7.75 7.63 3lc6A1 ALA 293 H 0.04 0.20 -0.34 -0.55 8.40 7.76 3lc6A1 ALA 293 HA 0.20 -0.01 0.55 -0.75 4.34 4.33 3lc6A1 ALA 293 HB3 0.03 0.11 0.15 -0.04 1.41 1.66 3lc6A1 LYS 294 H 0.02 0.17 -0.46 -0.55 8.42 7.60 3lc6A1 LYS 294 HA 0.10 0.05 0.22 -0.75 4.32 3.94 3lc6A1 LYS 294 HB2 -0.02 0.16 0.15 -0.04 1.87 2.12 3lc6A1 LYS 294 HB3 -0.00 0.05 0.02 -0.04 1.79 1.82 3lc6A1 LYS 294 HG2 0.21 0.00 -0.11 -0.04 1.46 1.53 3lc6A1 LYS 294 HG3 -0.02 -0.02 0.03 -0.04 1.46 1.41 3lc6A1 LYS 294 HD2 -0.18 -0.25 0.12 -0.04 1.69 1.34 3lc6A1 LYS 294 HD3 -0.07 0.03 0.09 -0.04 1.68 1.69 3lc6A1 LYS 294 HE2 0.05 -0.04 -0.01 -0.04 2.99 2.94 3lc6A1 LYS 294 HE3 0.07 0.13 0.04 -0.04 2.99 3.19 3lc6A1 THR 295 H -0.04 0.21 -0.14 -0.55 8.28 7.76 3lc6A1 THR 295 HA -0.05 0.09 0.55 -0.75 4.39 4.22 3lc6A1 THR 295 HB -0.31 -0.03 0.11 -0.04 4.32 4.05 3lc6A1 THR 295 HG23 -0.18 0.02 -0.16 -0.04 1.22 0.85 3lc6A1 GLU 296 H 0.12 0.37 -0.51 -0.55 8.60 8.04 3lc6A1 GLU 296 HA 0.16 0.04 0.40 -0.75 4.29 4.14 3lc6A1 GLU 296 HB2 0.27 0.13 0.23 -0.04 2.09 2.68 3lc6A1 GLU 296 HB3 0.22 -0.16 -0.09 -0.04 1.99 1.92 3lc6A1 GLU 296 HG2 0.54 0.00 -0.02 -0.04 2.34 2.82 3lc6A1 GLU 296 HG3 0.51 -0.01 -0.09 -0.04 2.34 2.70 3lc6A1 SER 297 H 0.15 1.44 0.29 -0.55 8.46 9.80 3lc6A1 SER 297 HA 0.14 -0.08 0.37 -0.75 4.49 4.17 3lc6A1 SER 297 HB2 0.16 0.04 0.02 -0.04 3.95 4.13 3lc6A1 SER 297 HB3 0.07 -0.04 -0.03 -0.04 3.93 3.89 3lc6A1 TYR 298 H 0.29 0.50 -0.31 -0.55 8.29 8.22 3lc6A1 TYR 298 HA 0.24 -0.05 0.37 -0.75 4.56 4.36 3lc6A1 TYR 298 HB2 0.05 0.06 0.10 -0.04 3.06 3.22 3lc6A1 TYR 298 HB3 -0.02 0.20 0.09 -0.04 2.98 3.21 3lc6A1 TYR 298 HD2 -0.35 0.04 -0.18 -0.04 7.15 6.62 3lc6A1 TYR 298 HE2 -0.94 -0.01 -0.05 -0.04 6.85 5.81 3lc6A1 ARG 299 H 0.20 0.46 -0.14 -0.55 8.46 8.43 3lc6A1 ARG 299 HA 0.03 -0.00 0.46 -0.75 4.34 4.07 3lc6A1 ARG 299 HB2 0.04 0.21 0.17 -0.04 1.90 2.28 3lc6A1 ARG 299 HB3 0.14 -0.02 0.21 -0.04 1.80 2.09 3lc6A1 ARG 299 HG2 0.20 -0.04 -0.09 -0.04 1.67 1.70 3lc6A1 ARG 299 HG3 -0.08 0.01 0.09 -0.04 1.67 1.66 3lc6A1 ARG 299 HD2 0.19 -0.05 -0.02 -0.04 3.22 3.29 3lc6A1 ARG 299 HD3 0.29 -0.09 0.02 -0.04 3.22 3.40 3lc6A1 GLU 300 H 0.18 0.75 -0.05 -0.55 8.60 8.94 3lc6A1 GLU 300 HA 0.15 0.05 0.53 -0.75 4.29 4.27 3lc6A1 GLU 300 HB2 0.21 0.07 0.09 -0.04 2.09 2.41 3lc6A1 GLU 300 HB3 0.16 -0.05 0.05 -0.04 1.99 2.11 3lc6A1 GLU 300 HG2 0.15 -0.01 -0.03 -0.04 2.34 2.41 3lc6A1 GLU 300 HG3 0.16 0.33 -0.10 -0.04 2.34 2.68 3lc6A1 TYR 301 H 0.32 0.97 0.08 -0.55 8.29 9.11 3lc6A1 TYR 301 HA 0.67 -0.05 0.47 -0.75 4.56 4.90 3lc6A1 TYR 301 HB2 0.21 -0.08 0.01 -0.04 3.06 3.16 3lc6A1 TYR 301 HB3 0.05 0.09 0.21 -0.04 2.98 3.29 3lc6A1 TYR 301 HD2 0.02 0.06 -0.00 -0.04 7.15 7.19 3lc6A1 TYR 301 HE2 0.34 -0.00 -0.09 -0.04 6.85 7.06 3lc6A1 LEU 302 H 0.04 0.81 -0.09 -0.55 8.37 8.59 3lc6A1 LEU 302 HA -0.64 -0.07 0.15 -0.75 4.35 3.04 3lc6A1 LEU 302 HB2 -0.20 0.09 0.10 -0.04 1.64 1.59 3lc6A1 LEU 302 HB3 -0.00 0.08 -0.01 -0.04 1.64 1.67 3lc6A1 LEU 302 HG -0.02 -0.01 0.09 -0.04 1.64 1.65 3lc6A1 LEU 302 HD13 -0.02 -0.02 -0.01 -0.04 0.93 0.84 3lc6A1 LEU 302 HD23 0.17 -0.01 -0.02 -0.04 0.89 0.99 3lc6A1 VAL 303 H 0.02 0.22 -0.82 -0.55 8.24 7.11 3lc6A1 VAL 303 HA 0.00 0.11 0.68 -0.75 4.13 4.16 3lc6A1 VAL 303 HB 0.06 0.16 0.11 -0.04 2.12 2.42 3lc6A1 VAL 303 HG13 0.02 -0.02 -0.05 -0.04 0.97 0.88 3lc6A1 VAL 303 HG23 0.13 0.07 0.06 -0.04 0.95 1.17 3lc6A1 TYR 304 H -0.02 0.46 -0.00 -0.55 8.29 8.18 3lc6A1 TYR 304 HA -0.21 0.05 0.14 -0.75 4.56 3.78 3lc6A1 TYR 304 HB2 -0.59 0.04 0.16 -0.04 3.06 2.64 3lc6A1 TYR 304 HB3 -0.65 -0.04 0.18 -0.04 2.98 2.43 3lc6A1 TYR 304 HD2 -0.37 0.01 -0.12 -0.04 7.15 6.62 3lc6A1 TYR 304 HE2 -0.15 -0.03 -0.11 -0.04 6.85 6.52 3lc6A1 LEU 305 H -0.17 0.00 -0.07 -0.55 8.37 7.59 3lc6A1 LEU 305 HA -0.18 0.06 0.39 -0.75 4.35 3.86 3lc6A1 LEU 305 HB2 -0.17 0.03 0.00 -0.04 1.64 1.46 3lc6A1 LEU 305 HB3 -0.09 -0.04 -0.02 -0.04 1.64 1.44 3lc6A1 LEU 305 HG -0.03 -0.04 -0.08 -0.04 1.64 1.45 3lc6A1 LEU 305 HD13 -0.58 -0.03 -0.09 -0.04 0.93 0.19 3lc6A1 LEU 305 HD23 -0.29 0.02 -0.20 -0.04 0.89 0.37 3lc6A1 GLN 306 H -0.17 0.18 -0.56 -0.55 8.47 7.37 3lc6A1 GLN 306 HA -0.08 0.05 0.69 -0.75 4.36 4.27 3lc6A1 GLN 306 HB2 -0.07 0.40 0.17 -0.04 2.15 2.61 3lc6A1 GLN 306 HB3 -0.04 -0.08 0.24 -0.04 2.02 2.10 3lc6A1 GLN 306 HG2 -0.13 -0.14 -0.05 -0.04 2.40 2.04 3lc6A1 GLN 306 HG3 -0.04 0.06 0.09 -0.04 2.39 2.46 3lc6A1 GLN 306 HE21 -0.01 -0.05 0.00 -0.04 6.97 6.87 3lc6A1 GLN 306 HE22 -0.06 -0.04 -0.02 -0.04 7.69 7.53 3lc6A1 GLY 307 H -0.16 0.00 -0.94 -0.55 8.43 6.79 3lc6A1 GLY 307 HA2 -0.09 -0.03 0.38 -0.51 4.01 3.76 3lc6A1 GLY 307 HA3 -0.13 0.05 0.36 -0.51 4.01 3.78 3lc6A1 CYS 308 H -0.14 0.23 0.12 -0.55 8.50 8.16 3lc6A1 CYS 308 HA -0.18 0.10 0.59 -0.75 4.58 4.34 3lc6A1 CYS 308 HB2 -0.36 -0.08 0.16 -0.04 2.97 2.65 3lc6A1 CYS 308 HB3 -0.65 0.24 -0.31 -0.04 2.97 2.21 3lc6A1 ASN 309 H -0.13 0.19 0.17 -0.55 8.53 8.21 3lc6A1 ASN 309 HA -0.09 0.24 0.92 -0.75 4.76 5.07 3lc6A1 ASN 309 HB2 -0.06 -0.03 0.08 -0.04 2.88 2.84 3lc6A1 ASN 309 HB3 -0.06 -0.02 0.02 -0.04 2.79 2.69 3lc6A1 ASN 309 HD21 -0.05 0.01 -0.05 -0.04 7.03 6.90 3lc6A1 ASN 309 HD22 -0.05 -0.03 -0.02 -0.04 7.74 7.60 3lc6A1 GLU 310 H -0.05 0.01 0.13 -0.55 8.60 8.15 3lc6A1 GLU 310 HA -0.12 0.10 0.52 -0.75 4.29 4.04 3lc6A1 GLU 310 HB2 -0.10 0.07 0.00 -0.04 2.09 2.02 3lc6A1 GLU 310 HB3 -0.08 0.03 0.07 -0.04 1.99 1.97 3lc6A1 GLU 310 HG2 -0.04 0.03 -0.11 -0.04 2.34 2.18 3lc6A1 GLU 310 HG3 -0.04 0.01 0.25 -0.04 2.34 2.52 3lc6A1 GLN 311 H -0.08 0.12 0.24 -0.55 8.47 8.20 3lc6A1 GLN 311 HA -0.13 0.21 0.97 -0.75 4.36 4.66 3lc6A1 GLN 311 HB2 -0.04 -0.07 -0.02 -0.04 2.15 1.99 3lc6A1 GLN 311 HB3 -0.01 0.27 0.14 -0.04 2.02 2.38 3lc6A1 GLN 311 HG2 -0.21 0.13 -0.14 -0.04 2.40 2.13 3lc6A1 GLN 311 HG3 -0.15 -0.19 -0.38 -0.04 2.39 1.63 3lc6A1 GLN 311 HE21 -0.04 -0.02 -0.04 -0.04 6.97 6.82 3lc6A1 GLN 311 HE22 -0.07 -0.06 -0.06 -0.04 7.69 7.47 3lc6A1 PHE 312 H 0.15 0.55 0.35 -0.55 8.34 8.84 3lc6A1 PHE 312 HA 0.08 0.20 0.88 -0.75 4.62 5.02 3lc6A1 PHE 312 HB2 -0.13 0.00 0.18 -0.04 3.15 3.17 3lc6A1 PHE 312 HB3 -0.13 0.02 0.06 -0.04 3.06 2.96 3lc6A1 PHE 312 HD2 0.03 0.05 -0.17 -0.04 7.28 7.15 3lc6A1 PHE 312 HE2 -0.00 -0.02 -0.10 -0.04 7.38 7.21 3lc6A1 PHE 312 HZ 0.45 -0.00 -0.10 -0.04 7.32 7.62 3lc6A1 ILE 313 H 0.24 0.76 0.47 -0.55 8.25 9.16 3lc6A1 ILE 313 HA 0.08 0.05 0.89 -0.75 4.18 4.44 3lc6A1 ILE 313 HB 0.07 -0.01 0.15 -0.04 1.89 2.06 3lc6A1 ILE 313 HG12 0.12 -0.03 -0.05 -0.04 1.49 1.49 3lc6A1 ILE 313 HG13 0.14 -0.02 -0.39 -0.04 1.21 0.90 3lc6A1 ILE 313 HG23 0.05 -0.00 -0.09 -0.04 0.93 0.85 3lc6A1 ILE 313 HD13 0.08 0.03 -0.10 -0.04 0.88 0.85 3lc6A1 GLU 314 H 0.07 0.08 0.16 -0.55 8.60 8.37 3lc6A1 GLU 314 HA 0.13 0.18 0.94 -0.75 4.29 4.78 3lc6A1 GLU 314 HB2 0.06 -0.10 0.09 -0.04 2.09 2.11 3lc6A1 GLU 314 HB3 0.06 -0.04 0.11 -0.04 1.99 2.08 3lc6A1 GLU 314 HG2 0.05 0.16 -0.14 -0.04 2.34 2.38 3lc6A1 GLU 314 HG3 0.07 0.13 0.17 -0.04 2.34 2.67 3lc6A1 ALA 315 H 0.09 0.52 0.24 -0.55 8.40 8.71 3lc6A1 ALA 315 HA 0.08 0.02 0.15 -0.75 4.34 3.84 3lc6A1 ALA 315 HB3 0.02 -0.01 -0.08 -0.04 1.41 1.30 3lc6A1 PRO 316 HA 0.06 0.10 0.53 -0.51 4.44 4.62 3lc6A1 PRO 316 HB2 0.07 0.01 0.01 -0.04 2.28 2.32 3lc6A1 PRO 316 HB3 0.07 -0.03 0.12 -0.04 2.02 2.14 3lc6A1 PRO 316 HG2 0.07 0.06 0.04 -0.04 2.03 2.16 3lc6A1 PRO 316 HG3 0.06 0.04 0.04 -0.04 2.03 2.13 3lc6A1 PRO 316 HD2 0.05 0.10 0.12 -0.04 3.68 3.92 3lc6A1 PRO 316 HD3 0.07 0.17 0.04 -0.04 3.65 3.89 3lc6A1 GLY 317 H 0.07 0.07 0.13 -0.55 8.43 8.16 3lc6A1 GLY 317 HA2 0.09 -0.07 0.29 -0.51 4.01 3.81 3lc6A1 GLY 317 HA3 0.09 0.15 0.68 -0.51 4.01 4.42 3lc6A1 ILE 318 H 0.09 0.09 0.10 -0.55 8.25 7.98 3lc6A1 ILE 318 HA 0.06 0.14 0.75 -0.75 4.18 4.37 3lc6A1 ILE 318 HB 0.07 -0.07 0.06 -0.04 1.89 1.91 3lc6A1 ILE 318 HG12 0.06 0.06 -0.02 -0.04 1.49 1.55 3lc6A1 ILE 318 HG13 0.08 -0.08 -0.13 -0.04 1.21 1.03 3lc6A1 ILE 318 HG23 0.05 0.01 -0.19 -0.04 0.93 0.76 3lc6A1 ILE 318 HD13 0.07 -0.01 -0.03 -0.04 0.88 0.87 3lc6A1 ARG 319 H 0.04 0.10 0.11 -0.55 8.46 8.16 3lc6A1 ARG 319 HA 0.03 0.06 0.50 -0.75 4.34 4.19 3lc6A1 ARG 319 HB2 0.03 -0.05 0.09 -0.04 1.90 1.94 3lc6A1 ARG 319 HB3 0.03 0.10 -0.00 -0.04 1.80 1.89 3lc6A1 ARG 319 HG2 0.04 0.02 0.02 -0.04 1.67 1.71 3lc6A1 ARG 319 HG3 0.04 0.01 0.04 -0.04 1.67 1.71 3lc6A1 ARG 319 HD2 0.03 -0.01 0.01 -0.04 3.22 3.22 3lc6A1 ARG 319 HD3 0.03 -0.01 0.02 -0.04 3.22 3.21 3lc6A1 GLY 320 H 0.02 0.16 0.17 -0.55 8.43 8.23 3lc6A1 GLY 320 HA2 0.02 -0.00 0.36 -0.51 4.01 3.88 3lc6A1 GLY 320 HA3 0.01 0.00 0.34 -0.51 4.01 3.85 3lc6A1 MET 321 H 0.01 0.07 0.17 -0.55 8.47 8.17 3lc6A1 MET 321 HA 0.02 0.18 0.67 -0.75 4.52 4.63 3lc6A1 MET 321 HB2 -0.01 -0.08 0.15 -0.04 2.15 2.18 3lc6A1 MET 321 HB3 0.00 0.02 0.01 -0.04 2.03 2.02 3lc6A1 MET 321 HG2 0.01 0.03 0.08 -0.04 2.63 2.70 3lc6A1 MET 321 HG3 0.01 0.05 0.03 -0.04 2.56 2.61 3lc6A1 MET 321 HE3 -0.02 -0.00 0.01 -0.04 2.10 2.04 3lc6A1 VAL 322 H 0.01 -0.11 -0.06 -0.55 8.24 7.53 3lc6A1 VAL 322 HA 0.02 0.29 1.02 -0.75 4.13 4.70 3lc6A1 VAL 322 HB 0.04 -0.02 0.06 -0.04 2.12 2.16 3lc6A1 VAL 322 HG13 0.03 0.00 0.00 -0.04 0.97 0.97 3lc6A1 VAL 322 HG23 0.01 -0.00 -0.07 -0.04 0.95 0.84 3lc6A1 MET 323 H 0.02 -0.07 0.10 -0.55 8.47 7.98 3lc6A1 MET 323 HA 0.00 0.17 0.39 -0.75 4.52 4.33 3lc6A1 MET 323 HB2 0.00 -0.03 -0.02 -0.04 2.15 2.06 3lc6A1 MET 323 HB3 -0.01 0.08 -0.08 -0.04 2.03 1.99 3lc6A1 MET 323 HG2 0.06 -0.19 0.07 -0.04 2.63 2.53 3lc6A1 MET 323 HG3 0.09 0.05 -0.01 -0.04 2.56 2.65 3lc6A1 MET 323 HE3 -0.03 0.04 -0.26 -0.04 2.10 1.82 3lc6A1 LEU 324 H -0.03 1.27 0.39 -0.55 8.37 9.46 3lc6A1 LEU 324 HA 0.02 0.07 0.83 -0.75 4.35 4.52 3lc6A1 LEU 324 HB2 0.01 0.13 -0.10 -0.04 1.64 1.63 3lc6A1 LEU 324 HB3 0.06 -0.11 0.08 -0.04 1.64 1.63 3lc6A1 LEU 324 HG 0.03 0.01 -0.11 -0.04 1.64 1.53 3lc6A1 LEU 324 HD13 0.01 0.02 -0.30 -0.04 0.93 0.62 3lc6A1 LEU 324 HD23 0.06 -0.02 -0.19 -0.04 0.89 0.70 3lc6A1 VAL 325 H 0.03 0.17 0.13 -0.55 8.24 8.02 3lc6A1 VAL 325 HA -0.12 0.44 1.06 -0.75 4.13 4.75 3lc6A1 VAL 325 HB -0.08 -0.04 -0.09 -0.04 2.12 1.87 3lc6A1 VAL 325 HG13 -0.00 -0.03 0.07 -0.04 0.97 0.96 3lc6A1 VAL 325 HG23 -0.11 0.01 -0.17 -0.04 0.95 0.64 3lc6A1 PHE 326 H -0.37 0.52 0.44 -0.55 8.34 8.38 3lc6A1 PHE 326 HA 0.05 0.13 1.07 -0.75 4.62 5.12 3lc6A1 PHE 326 HB2 -0.02 0.09 0.20 -0.04 3.15 3.39 3lc6A1 PHE 326 HB3 -0.04 -0.04 -0.10 -0.04 3.06 2.83 3lc6A1 PHE 326 HD2 -0.42 -0.00 -0.20 -0.04 7.28 6.62 3lc6A1 PHE 326 HE2 -0.92 -0.00 -0.12 -0.04 7.38 6.29 3lc6A1 PHE 326 HZ -0.48 0.00 -0.13 -0.04 7.32 6.67 3lc6A1 THR 327 H 0.41 0.55 0.38 -0.55 8.28 9.08 3lc6A1 THR 327 HA 0.69 0.10 0.57 -0.75 4.39 4.99 3lc6A1 THR 327 HB 0.20 0.10 -0.04 -0.04 4.32 4.54 3lc6A1 THR 327 HG23 0.14 -0.03 -0.31 -0.04 1.22 0.99 3lc6A1 LEU 328 H 0.40 0.27 0.20 -0.55 8.37 8.70 3lc6A1 LEU 328 HA 0.09 0.27 0.93 -0.75 4.35 4.89 3lc6A1 LEU 328 HB2 -0.31 0.11 -0.02 -0.04 1.64 1.38 3lc6A1 LEU 328 HB3 0.19 -0.04 0.09 -0.04 1.64 1.85 3lc6A1 LEU 328 HG 0.22 -0.32 -0.24 -0.04 1.64 1.26 3lc6A1 LEU 328 HD13 0.04 0.07 -0.10 -0.04 0.93 0.90 3lc6A1 LEU 328 HD23 0.25 0.03 -0.17 -0.04 0.89 0.95 3lc6A1 PRO 329 HA 0.09 0.10 0.17 -0.51 4.44 4.29 3lc6A1 PRO 329 HB2 0.06 0.04 0.04 -0.04 2.28 2.38 3lc6A1 PRO 329 HB3 0.06 0.04 0.10 -0.04 2.02 2.18 3lc6A1 PRO 329 HG2 0.04 0.01 0.11 -0.04 2.03 2.15 3lc6A1 PRO 329 HG3 0.06 0.04 0.07 -0.04 2.03 2.17 3lc6A1 PRO 329 HD2 0.04 0.10 0.25 -0.04 3.68 4.03 3lc6A1 PRO 329 HD3 0.07 0.17 0.27 -0.04 3.65 4.12 3lc6A1 GLY 330 H 0.15 -0.01 -0.41 -0.55 8.43 7.62 3lc6A1 GLY 330 HA2 0.10 0.15 0.75 -0.51 4.01 4.51 3lc6A1 GLY 330 HA3 0.23 -0.02 0.27 -0.51 4.01 3.98 3lc6A1 PHE 331 H 0.15 0.43 0.07 -0.55 8.34 8.43 3lc6A1 PHE 331 HA -0.43 0.05 0.31 -0.75 4.62 3.80 3lc6A1 PHE 331 HB2 -0.10 -0.05 0.17 -0.04 3.15 3.13 3lc6A1 PHE 331 HB3 0.04 0.02 0.09 -0.04 3.06 3.17 3lc6A1 PHE 331 HD2 0.02 -0.23 0.12 -0.04 7.28 7.14 3lc6A1 PHE 331 HE2 0.26 0.02 0.00 -0.04 7.38 7.61 3lc6A1 PHE 331 HZ 0.19 -0.01 0.04 -0.04 7.32 7.49 3lc6A1 ASP 332 H 0.48 0.10 0.16 -0.55 8.40 8.60 3lc6A1 ASP 332 HA -0.01 0.20 0.48 -0.75 4.63 4.54 3lc6A1 ASP 332 HB2 -0.08 0.00 0.16 -0.04 2.71 2.76 3lc6A1 ASP 332 HB3 0.03 0.05 0.12 -0.04 2.70 2.86 3lc6A1 ARG 333 H -0.36 0.10 -0.31 -0.55 8.46 7.34 3lc6A1 ARG 333 HA -0.31 0.08 1.21 -0.75 4.34 4.56 3lc6A1 ARG 333 HB2 -0.80 -0.08 -0.07 -0.04 1.90 0.91 3lc6A1 ARG 333 HB3 -0.59 0.10 -0.09 -0.04 1.80 1.18 3lc6A1 ARG 333 HG2 -0.31 0.09 -0.30 -0.04 1.67 1.11 3lc6A1 ARG 333 HG3 -0.32 -0.13 -0.39 -0.04 1.67 0.78 3lc6A1 ARG 333 HD2 -0.30 0.04 -0.23 -0.04 3.22 2.69 3lc6A1 ARG 333 HD3 -0.19 0.01 -0.21 -0.04 3.22 2.80 3lc6A1 VAL 334 H -0.37 0.67 0.31 -0.55 8.24 8.30 3lc6A1 VAL 334 HA -0.05 0.24 1.00 -0.75 4.13 4.57 3lc6A1 VAL 334 HB -0.21 -0.02 -0.13 -0.04 2.12 1.72 3lc6A1 VAL 334 HG13 -0.09 0.00 -0.10 -0.04 0.97 0.74 3lc6A1 VAL 334 HG23 -0.23 -0.04 -0.13 -0.04 0.95 0.51 3lc6A1 PHE 335 H -0.02 0.63 0.37 -0.55 8.34 8.76 3lc6A1 PHE 335 HA -0.36 0.37 1.08 -0.75 4.62 4.96 3lc6A1 PHE 335 HB2 -2.22 -0.08 0.10 -0.04 3.15 0.91 3lc6A1 PHE 335 HB3 -0.70 -0.00 -0.06 -0.04 3.06 2.25 3lc6A1 PHE 335 HD2 -0.33 0.23 -0.05 -0.04 7.28 7.09 3lc6A1 PHE 335 HE2 -0.10 -0.00 -0.07 -0.04 7.38 7.16 3lc6A1 PHE 335 HZ 0.40 -0.05 -0.12 -0.04 7.32 7.50 3lc6A1 LYS 336 H -0.18 1.29 0.43 -0.55 8.42 9.40 3lc6A1 LYS 336 HA -0.17 0.21 0.93 -0.75 4.32 4.53 3lc6A1 LYS 336 HB2 -0.06 -0.01 0.14 -0.04 1.87 1.90 3lc6A1 LYS 336 HB3 -0.07 -0.05 -0.03 -0.04 1.79 1.61 3lc6A1 LYS 336 HG2 -0.09 -0.05 -0.12 -0.04 1.46 1.16 3lc6A1 LYS 336 HG3 -0.16 -0.03 -0.29 -0.04 1.46 0.94 3lc6A1 LYS 336 HD2 -0.14 0.01 -0.17 -0.04 1.69 1.35 3lc6A1 LYS 336 HD3 -0.02 -0.02 -0.14 -0.04 1.68 1.45 3lc6A1 LYS 336 HE2 -0.05 -0.08 -0.04 -0.04 2.99 2.77 3lc6A1 LYS 336 HE3 -0.09 0.15 -0.02 -0.04 2.99 2.98 3lc6A1 VAL 337 H -0.12 0.86 0.36 -0.55 8.24 8.80 3lc6A1 VAL 337 HA -0.23 0.17 0.87 -0.75 4.13 4.19 3lc6A1 VAL 337 HB 0.00 -0.01 -0.03 -0.04 2.12 2.04 3lc6A1 VAL 337 HG13 -0.07 0.02 -0.03 -0.04 0.97 0.85 3lc6A1 VAL 337 HG23 0.12 0.06 -0.05 -0.04 0.95 1.05 3lc6A1 ILE 338 H -0.21 0.26 0.19 -0.55 8.25 7.94 3lc6A1 ILE 338 HA -0.03 0.01 0.55 -0.75 4.18 3.96 3lc6A1 ILE 338 HB -0.00 0.09 0.06 -0.04 1.89 1.99 3lc6A1 ILE 338 HG12 -0.01 -0.06 0.01 -0.04 1.49 1.38 3lc6A1 ILE 338 HG13 -0.10 -0.06 -0.12 -0.04 1.21 0.89 3lc6A1 ILE 338 HG23 0.05 -0.01 -0.01 -0.04 0.93 0.93 3lc6A1 ILE 338 HD13 -0.69 -0.02 0.18 -0.04 0.88 0.31 3lc6A1 LYS 339 H 0.01 0.17 0.15 -0.55 8.42 8.20 3lc6A1 LYS 339 HA 0.00 0.23 0.67 -0.75 4.32 4.47 3lc6A1 LYS 339 HB2 0.02 -0.07 0.16 -0.04 1.87 1.94 3lc6A1 LYS 339 HB3 0.02 -0.05 0.27 -0.04 1.79 1.99 3lc6A1 LYS 339 HG2 0.01 -0.06 -0.14 -0.04 1.46 1.22 3lc6A1 LYS 339 HG3 0.01 0.55 0.09 -0.04 1.46 2.07 3lc6A1 LYS 339 HD2 0.02 -0.09 -0.02 -0.04 1.69 1.55 3lc6A1 LYS 339 HD3 0.02 0.06 -0.14 -0.04 1.68 1.58 3lc6A1 LYS 339 HE2 0.03 -0.06 0.10 -0.04 2.99 3.02 3lc6A1 LYS 339 HE3 0.03 -0.03 0.13 -0.04 2.99 3.08 3lc6A1 ASP 340 H 0.01 0.42 0.24 -0.55 8.40 8.52 3lc6A1 ASP 340 HA 0.03 0.19 0.77 -0.75 4.63 4.86 3lc6A1 ASP 340 HB2 -0.02 -0.01 -0.04 -0.04 2.71 2.60 3lc6A1 ASP 340 HB3 0.00 0.16 0.12 -0.04 2.70 2.94 3lc6A1 LYS 341 H 0.04 0.11 -0.07 -0.55 8.42 7.94 3lc6A1 LYS 341 HA 0.08 0.03 0.41 -0.75 4.32 4.09 3lc6A1 LYS 341 HB2 0.05 -0.01 -0.13 -0.04 1.87 1.74 3lc6A1 LYS 341 HB3 0.08 0.06 0.28 -0.04 1.79 2.17 3lc6A1 LYS 341 HG2 0.09 -0.02 -0.01 -0.04 1.46 1.48 3lc6A1 LYS 341 HG3 0.05 0.01 0.06 -0.04 1.46 1.54 3lc6A1 LYS 341 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.66 3lc6A1 LYS 341 HD3 0.04 0.01 -0.01 -0.04 1.68 1.69 3lc6A1 LYS 341 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 3lc6A1 LYS 341 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 3lc6A1 PHE 342 H 0.11 0.62 -0.12 -0.55 8.34 8.41 3lc6A1 PHE 342 HA 0.01 0.08 0.16 -0.75 4.62 4.11 3lc6A1 PHE 342 HB2 0.01 0.12 -0.15 -0.04 3.15 3.08 3lc6A1 PHE 342 HB3 0.00 -0.09 0.06 -0.04 3.06 2.99 3lc6A1 PHE 342 HD2 0.00 0.09 0.20 -0.04 7.28 7.54 3lc6A1 PHE 342 HE2 0.00 0.01 0.07 -0.04 7.38 7.42 3lc6A1 PHE 342 HZ 0.00 -0.00 0.05 -0.04 7.32 7.33 3lc6A1 ALA 343 H 0.10 0.11 0.15 -0.55 8.40 8.22 3lc6A1 ALA 343 HA -0.02 0.12 0.47 -0.75 4.34 4.15 3lc6A1 ALA 343 HB3 0.02 0.00 0.10 -0.04 1.41 1.49 3lc6A1 PRO 344 HA 0.05 0.10 0.54 -0.51 4.44 4.63 3lc6A1 PRO 344 HB2 0.06 -0.00 0.00 -0.04 2.28 2.30 3lc6A1 PRO 344 HB3 0.04 0.03 0.06 -0.04 2.02 2.11 3lc6A1 PRO 344 HG2 0.07 0.03 0.06 -0.04 2.03 2.15 3lc6A1 PRO 344 HG3 0.08 0.05 0.05 -0.04 2.03 2.17 3lc6A1 PRO 344 HD2 0.35 0.03 0.15 -0.04 3.68 4.17 3lc6A1 PRO 344 HD3 0.23 0.08 0.14 -0.04 3.65 4.06 3lc6A1 GLN 345 H 0.11 -0.01 -0.45 -0.55 8.47 7.58 3lc6A1 GLN 345 HA 0.04 -0.04 0.31 -0.75 4.36 3.91 3lc6A1 GLN 345 HB2 0.06 0.21 0.10 -0.04 2.15 2.48 3lc6A1 GLN 345 HB3 0.05 -0.03 0.05 -0.04 2.02 2.05 3lc6A1 GLN 345 HG2 0.16 -0.11 -0.13 -0.04 2.40 2.28 3lc6A1 GLN 345 HG3 0.12 -0.02 -0.05 -0.04 2.39 2.40 3lc6A1 GLN 345 HE21 0.02 -0.00 -0.05 -0.04 6.97 6.90 3lc6A1 GLN 345 HE22 0.04 0.05 -0.02 -0.04 7.69 7.71 3lc6A1 LYS 346 H 0.02 0.07 0.22 -0.55 8.42 8.18 3lc6A1 LYS 346 HA 0.01 0.19 0.83 -0.75 4.32 4.60 3lc6A1 LYS 346 HB2 0.01 -0.02 -0.00 -0.04 1.87 1.81 3lc6A1 LYS 346 HB3 0.01 0.15 0.05 -0.04 1.79 1.96 3lc6A1 LYS 346 HG2 0.01 -0.05 0.24 -0.04 1.46 1.62 3lc6A1 LYS 346 HG3 0.01 -0.08 0.09 -0.04 1.46 1.44 3lc6A1 LYS 346 HD2 0.01 0.00 0.03 -0.04 1.69 1.69 3lc6A1 LYS 346 HD3 0.01 0.08 0.07 -0.04 1.68 1.80 3lc6A1 LYS 346 HE2 0.01 -0.00 0.03 -0.04 2.99 2.98 3lc6A1 LYS 346 HE3 0.01 -0.02 0.06 -0.04 2.99 2.99 3lc6A1 GLU 347 H 0.01 0.23 0.12 -0.55 8.60 8.41 3lc6A1 GLU 347 HA 0.00 0.14 0.56 -0.75 4.29 4.24 3lc6A1 GLU 347 HB2 -0.01 0.02 0.19 -0.04 2.09 2.25 3lc6A1 GLU 347 HB3 -0.01 -0.03 0.09 -0.04 1.99 2.00 3lc6A1 GLU 347 HG2 0.02 0.00 -0.06 -0.04 2.34 2.26 3lc6A1 GLU 347 HG3 0.01 0.04 0.06 -0.04 2.34 2.42 3lc6A1 MET 348 H -0.00 0.51 0.00 -0.55 8.47 8.43 3lc6A1 MET 348 HA -0.02 0.07 0.61 -0.75 4.52 4.43 3lc6A1 MET 348 HB2 -0.00 0.01 0.10 -0.04 2.15 2.21 3lc6A1 MET 348 HB3 -0.00 -0.02 0.06 -0.04 2.03 2.03 3lc6A1 MET 348 HG2 -0.01 0.00 0.03 -0.04 2.63 2.61 3lc6A1 MET 348 HG3 -0.01 -0.00 0.06 -0.04 2.56 2.57 3lc6A1 MET 348 HE3 -0.00 -0.00 0.01 -0.04 2.10 2.06 3lc6A1 SER 349 H -0.02 0.17 0.11 -0.55 8.46 8.17 3lc6A1 SER 349 HA -0.01 0.36 1.56 -0.75 4.49 5.64 3lc6A1 SER 349 HB2 -0.06 0.10 -0.15 -0.04 3.95 3.80 3lc6A1 SER 349 HB3 -0.05 -0.08 -0.06 -0.04 3.93 3.70 3lc6A1 ALA 350 H -0.00 0.03 0.28 -0.55 8.40 8.17 3lc6A1 ALA 350 HA -0.01 0.17 0.55 -0.75 4.34 4.29 3lc6A1 ALA 350 HB3 0.00 -0.00 -0.04 -0.04 1.41 1.33 3lc6A1 ALA 351 H -0.00 0.15 0.08 -0.55 8.40 8.08 3lc6A1 ALA 351 HA 0.05 0.07 0.23 -0.75 4.34 3.93 3lc6A1 ALA 351 HB3 0.07 0.01 0.12 -0.04 1.41 1.57 3lc6A1 HIS 352 H 0.15 0.17 0.06 -0.55 8.41 8.25 3lc6A1 HIS 352 HA 0.02 0.22 0.59 -0.75 4.63 4.70 3lc6A1 HIS 352 HB2 0.02 0.03 0.12 -0.04 3.26 3.39 3lc6A1 HIS 352 HB3 0.03 -0.06 0.12 -0.04 3.20 3.24 3lc6A1 HIS 352 HD2 -0.00 -0.02 0.02 -0.04 6.97 6.93 3lc6A1 HIS 352 HE1 -0.02 0.26 0.10 -0.04 7.75 8.05 3lc6A1 VAL 353 H 0.19 0.06 -0.03 -0.55 8.24 7.92 3lc6A1 VAL 353 HA 0.26 0.17 0.40 -0.75 4.13 4.20 3lc6A1 VAL 353 HB 0.20 -0.00 0.06 -0.04 2.12 2.34 3lc6A1 VAL 353 HG13 0.32 0.01 -0.11 -0.04 0.97 1.14 3lc6A1 VAL 353 HG23 0.11 -0.00 0.05 -0.04 0.95 1.07 3lc6A1 ARG 354 H 0.19 0.01 -0.18 -0.55 8.46 7.92 3lc6A1 ARG 354 HA 0.38 0.07 0.34 -0.75 4.34 4.36 3lc6A1 ARG 354 HB2 0.09 0.09 0.07 -0.04 1.90 2.12 3lc6A1 ARG 354 HB3 0.16 0.05 0.05 -0.04 1.80 2.02 3lc6A1 ARG 354 HG2 0.23 0.09 0.03 -0.04 1.67 1.98 3lc6A1 ARG 354 HG3 0.13 -0.15 0.08 -0.04 1.67 1.69 3lc6A1 ARG 354 HD2 -0.29 0.06 0.01 -0.04 3.22 2.96 3lc6A1 ARG 354 HD3 -0.06 -0.10 -0.01 -0.04 3.22 3.01 3lc6A1 ALA 355 H 0.09 0.27 -0.65 -0.55 8.40 7.56 3lc6A1 ALA 355 HA 0.02 0.02 0.61 -0.75 4.34 4.24 3lc6A1 ALA 355 HB3 -0.11 0.09 0.18 -0.04 1.41 1.54 3lc6A1 CYS 356 H 0.10 0.46 0.04 -0.55 8.50 8.55 3lc6A1 CYS 356 HA -0.08 0.05 0.45 -0.75 4.58 4.25 3lc6A1 CYS 356 HB2 0.03 0.11 0.25 -0.04 2.97 3.32 3lc6A1 CYS 356 HB3 -0.02 -0.14 0.10 -0.04 2.97 2.87 3lc6A1 TYR 357 H 0.19 0.37 -0.19 -0.55 8.29 8.10 3lc6A1 TYR 357 HA -0.25 0.12 0.52 -0.75 4.56 4.20 3lc6A1 TYR 357 HB2 -0.01 0.03 0.05 -0.04 3.06 3.09 3lc6A1 TYR 357 HB3 -0.54 -0.01 -0.12 -0.04 2.98 2.28 3lc6A1 TYR 357 HD2 -0.11 0.06 -0.11 -0.04 7.15 6.94 3lc6A1 TYR 357 HE2 0.09 -0.03 -0.11 -0.04 6.85 6.75 3lc6A1 GLN 358 H 0.07 0.40 -0.26 -0.55 8.47 8.14 3lc6A1 GLN 358 HA 0.02 0.09 0.69 -0.75 4.36 4.40 3lc6A1 GLN 358 HB2 0.07 0.08 0.14 -0.04 2.15 2.40 3lc6A1 GLN 358 HB3 0.04 0.11 0.17 -0.04 2.02 2.31 3lc6A1 GLN 358 HG2 0.06 0.01 -0.03 -0.04 2.40 2.40 3lc6A1 GLN 358 HG3 0.07 -0.06 -0.14 -0.04 2.39 2.22 3lc6A1 GLN 358 HE21 0.09 0.01 -0.03 -0.04 6.97 7.00 3lc6A1 GLN 358 HE22 0.12 -0.01 -0.05 -0.04 7.69 7.71 3lc6A1 LEU 359 H -0.02 0.77 -0.05 -0.55 8.37 8.52 3lc6A1 LEU 359 HA 0.06 -0.01 0.34 -0.75 4.35 3.98 3lc6A1 LEU 359 HB2 -0.03 0.12 0.19 -0.04 1.64 1.87 3lc6A1 LEU 359 HB3 -0.08 0.04 0.11 -0.04 1.64 1.67 3lc6A1 LEU 359 HG 0.16 -0.06 0.09 -0.04 1.64 1.79 3lc6A1 LEU 359 HD13 -0.12 -0.02 -0.00 -0.04 0.93 0.75 3lc6A1 LEU 359 HD23 -0.25 -0.00 0.01 -0.04 0.89 0.61 3lc6A1 VAL 360 H -0.08 -0.19 -1.73 -0.55 8.24 5.68 3lc6A1 VAL 360 HA -0.05 0.05 0.44 -0.75 4.13 3.81 3lc6A1 VAL 360 HB -0.42 0.12 -0.19 -0.04 2.12 1.59 3lc6A1 VAL 360 HG13 -0.33 -0.02 -0.17 -0.04 0.97 0.41 3lc6A1 VAL 360 HG23 -0.45 0.05 -0.21 -0.04 0.95 0.30 3lc6A1 LYS 361 H -0.05 0.12 -0.17 -0.55 8.42 7.78 3lc6A1 LYS 361 HA -0.04 0.03 0.56 -0.75 4.32 4.11 3lc6A1 LYS 361 HB2 0.00 -0.06 0.39 -0.04 1.87 2.16 3lc6A1 LYS 361 HB3 0.03 -0.03 0.05 -0.04 1.79 1.80 3lc6A1 LYS 361 HG2 0.03 -0.06 0.03 -0.04 1.46 1.42 3lc6A1 LYS 361 HG3 0.02 -0.03 0.11 -0.04 1.46 1.52 3lc6A1 LYS 361 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.55 3lc6A1 LYS 361 HD3 -0.04 0.09 0.04 -0.04 1.68 1.72 3lc6A1 LYS 361 HE2 -0.02 0.12 -0.21 -0.04 2.99 2.84 3lc6A1 LYS 361 HE3 0.02 -0.07 -0.09 -0.04 2.99 2.81 3lc6A1 GLU 362 H 0.02 0.10 -0.22 -0.55 8.60 7.94 3lc6A1 GLU 362 HA -0.05 0.18 0.83 -0.75 4.29 4.50 3lc6A1 GLU 362 HB2 -0.01 -0.01 -0.06 -0.04 2.09 1.96 3lc6A1 GLU 362 HB3 -0.08 -0.03 -0.04 -0.04 1.99 1.80 3lc6A1 GLU 362 HG2 0.06 0.11 0.06 -0.04 2.34 2.52 3lc6A1 GLU 362 HG3 0.09 0.01 -0.06 -0.04 2.34 2.33 3lc6A1 HIS 363 H 0.08 -0.07 -0.38 -0.55 8.41 7.50 3lc6A1 HIS 363 HA -0.03 0.04 0.24 -0.75 4.63 4.13 3lc6A1 HIS 363 HB2 -0.01 0.14 -0.02 -0.04 3.26 3.33 3lc6A1 HIS 363 HB3 -0.06 0.03 -0.16 -0.04 3.20 2.96 3lc6A1 HIS 363 HD2 0.20 0.01 0.01 -0.04 6.97 7.15 3lc6A1 HIS 363 HE1 -0.01 -0.14 -0.00 -0.04 7.75 7.56 3lc6A1 ASP 364 H -0.28 0.14 0.13 -0.55 8.40 7.84 3lc6A1 ASP 364 HA -0.07 0.09 0.87 -0.75 4.63 4.76 3lc6A1 ASP 364 HB2 -0.14 0.03 0.18 -0.04 2.71 2.74 3lc6A1 ASP 364 HB3 -0.04 0.03 0.14 -0.04 2.70 2.78 3lc6A1 ARG 365 H -0.08 0.10 0.08 -0.55 8.46 8.01 3lc6A1 ARG 365 HA -0.01 0.18 0.45 -0.75 4.34 4.20 3lc6A1 ARG 365 HB2 -0.09 0.02 -0.08 -0.04 1.90 1.71 3lc6A1 ARG 365 HB3 -0.05 -0.02 0.01 -0.04 1.80 1.70 3lc6A1 ARG 365 HG2 -0.09 0.02 -0.32 -0.04 1.67 1.24 3lc6A1 ARG 365 HG3 -0.06 -0.01 -0.31 -0.04 1.67 1.25 3lc6A1 ARG 365 HD2 -0.17 0.17 -0.14 -0.04 3.22 3.04 3lc6A1 ARG 365 HD3 -0.18 -0.21 -0.14 -0.04 3.22 2.65 3lc6A1 VAL 366 H -0.09 -0.04 0.16 -0.55 8.24 7.71 3lc6A1 VAL 366 HA -0.08 -0.04 0.31 -0.75 4.13 3.56 3lc6A1 VAL 366 HB -0.04 0.36 -0.46 -0.04 2.12 1.94 3lc6A1 VAL 366 HG13 -0.07 -0.02 0.04 -0.04 0.97 0.89 3lc6A1 VAL 366 HG23 -0.05 -0.02 -0.22 -0.04 0.95 0.61 3lc6A1 GLY 367 H -0.08 0.58 -0.23 -0.55 8.43 8.15 3lc6A1 GLY 367 HA2 -0.12 -0.15 0.00 -0.51 4.01 3.24 3lc6A1 GLY 367 HA3 -0.07 0.16 0.74 -0.51 4.01 4.32 3lc6A1 ARG 368 H -0.03 0.35 -0.04 -0.55 8.46 8.19 3lc6A1 ARG 368 HA 0.04 0.30 0.99 -0.75 4.34 4.92 3lc6A1 ARG 368 HB2 0.00 0.11 0.05 -0.04 1.90 2.01 3lc6A1 ARG 368 HB3 0.07 -0.08 0.22 -0.04 1.80 1.97 3lc6A1 ARG 368 HG2 -0.03 0.04 -0.17 -0.04 1.67 1.47 3lc6A1 ARG 368 HG3 -0.02 -0.01 0.07 -0.04 1.67 1.68 3lc6A1 ARG 368 HD2 0.02 0.02 0.07 -0.04 3.22 3.29 3lc6A1 ARG 368 HD3 -0.01 0.19 -0.60 -0.04 3.22 2.76 3lc6A1 MET 369 H -0.01 0.19 0.01 -0.55 8.47 8.12 3lc6A1 MET 369 HA 0.15 0.25 0.70 -0.75 4.52 4.87 3lc6A1 MET 369 HB2 -0.01 -0.06 0.03 -0.04 2.15 2.07 3lc6A1 MET 369 HB3 -0.02 0.06 -0.20 -0.04 2.03 1.83 3lc6A1 MET 369 HG2 0.20 -0.01 -0.10 -0.04 2.63 2.67 3lc6A1 MET 369 HG3 0.07 0.01 -0.27 -0.04 2.56 2.34 3lc6A1 MET 369 HE3 -0.05 0.05 -0.04 -0.04 2.10 2.02 3lc6A1 ALA 370 H 0.24 0.30 0.10 -0.55 8.40 8.49 3lc6A1 ALA 370 HA 0.15 0.27 0.97 -0.75 4.34 4.97 3lc6A1 ALA 370 HB3 0.36 -0.02 -0.05 -0.04 1.41 1.66 3lc6A1 ASP 371 H 0.18 0.25 0.21 -0.55 8.40 8.49 3lc6A1 ASP 371 HA 0.01 0.14 0.40 -0.75 4.63 4.43 3lc6A1 ASP 371 HB2 0.03 0.05 0.07 -0.04 2.71 2.83 3lc6A1 ASP 371 HB3 0.18 -0.04 0.11 -0.04 2.70 2.91 3lc6A1 THR 372 H 0.02 0.17 0.19 -0.55 8.28 8.11 3lc6A1 THR 372 HA -0.04 0.48 0.99 -0.75 4.39 5.07 3lc6A1 THR 372 HB -0.10 -0.18 0.17 -0.04 4.32 4.16 3lc6A1 THR 372 HG23 0.08 0.01 -0.33 -0.04 1.22 0.93 3lc6A1 GLN 373 H -0.10 0.11 0.37 -0.55 8.47 8.31 3lc6A1 GLN 373 HA -0.12 0.12 0.68 -0.75 4.36 4.29 3lc6A1 GLN 373 HB2 -0.20 -0.02 0.04 -0.04 2.15 1.93 3lc6A1 GLN 373 HB3 -0.59 0.02 -0.08 -0.04 2.02 1.33 3lc6A1 GLN 373 HG2 -0.02 -0.05 -0.02 -0.04 2.40 2.27 3lc6A1 GLN 373 HG3 -0.08 0.04 0.12 -0.04 2.39 2.43 3lc6A1 GLN 373 HE21 0.01 -0.01 -0.14 -0.04 6.97 6.79 3lc6A1 GLN 373 HE22 0.04 -0.11 -0.22 -0.04 7.69 7.36 3lc6A1 GLU 374 H -0.24 0.18 0.13 -0.55 8.60 8.13 3lc6A1 GLU 374 HA -0.17 0.35 0.88 -0.75 4.29 4.60 3lc6A1 GLU 374 HB2 0.11 0.08 -0.05 -0.04 2.09 2.19 3lc6A1 GLU 374 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.92 3lc6A1 GLU 374 HG2 -0.06 -0.01 -0.40 -0.04 2.34 1.83 3lc6A1 GLU 374 HG3 0.01 0.02 -0.11 -0.04 2.34 2.21 3lc6A1 PHE 375 H -0.14 0.42 0.12 -0.55 8.34 8.19 3lc6A1 PHE 375 HA 0.28 0.14 0.65 -0.75 4.62 4.94 3lc6A1 PHE 375 HB2 0.21 -0.03 -0.06 -0.04 3.15 3.22 3lc6A1 PHE 375 HB3 0.15 0.06 -0.03 -0.04 3.06 3.20 3lc6A1 PHE 375 HD2 0.19 0.02 -0.08 -0.04 7.28 7.37 3lc6A1 PHE 375 HE2 0.12 0.00 -0.16 -0.04 7.38 7.30 3lc6A1 PHE 375 HZ 0.15 -0.02 -0.12 -0.04 7.32 7.29 3lc6A1 GLU 376 H -0.44 0.16 0.06 -0.55 8.60 7.83 3lc6A1 GLU 376 HA -0.06 0.01 0.65 -0.75 4.29 4.14 3lc6A1 GLU 376 HB2 -0.66 -0.03 0.04 -0.04 2.09 1.39 3lc6A1 GLU 376 HB3 -0.27 0.07 -0.05 -0.04 1.99 1.71 3lc6A1 GLU 376 HG2 -0.09 0.00 -0.11 -0.04 2.34 2.10 3lc6A1 GLU 376 HG3 -0.03 0.07 -0.18 -0.04 2.34 2.16 3lc6A1 ASN 377 H 0.24 0.19 0.10 -0.55 8.53 8.52 3lc6A1 ASN 377 HA 0.12 0.26 0.85 -0.75 4.76 5.24 3lc6A1 ASN 377 HB2 0.12 0.37 0.10 -0.04 2.88 3.44 3lc6A1 ASN 377 HB3 0.09 -0.11 0.01 -0.04 2.79 2.75 3lc6A1 ASN 377 HD21 0.04 -0.07 -0.13 -0.04 7.03 6.83 3lc6A1 ASN 377 HD22 0.06 -0.18 -0.62 -0.04 7.74 6.96 3lc6A1 PHE 378 H 0.24 0.91 0.24 -0.55 8.34 9.17 3lc6A1 PHE 378 HA 0.00 0.11 0.82 -0.75 4.62 4.81 3lc6A1 PHE 378 HB2 0.13 -0.05 -0.06 -0.04 3.15 3.13 3lc6A1 PHE 378 HB3 0.08 -0.02 0.05 -0.04 3.06 3.13 3lc6A1 PHE 378 HD2 0.02 -0.00 -0.51 -0.04 7.28 6.74 3lc6A1 PHE 378 HE2 -0.04 0.05 -0.08 -0.04 7.38 7.27 3lc6A1 PHE 378 HZ -0.13 -0.04 -0.08 -0.04 7.32 7.03 3lc6A1 VAL 379 H 0.05 0.18 0.11 -0.55 8.24 8.02 3lc6A1 VAL 379 HA 0.16 0.12 0.63 -0.75 4.13 4.28 3lc6A1 VAL 379 HB 0.06 0.08 -0.01 -0.04 2.12 2.21 3lc6A1 VAL 379 HG13 0.03 -0.01 0.05 -0.04 0.97 1.00 3lc6A1 VAL 379 HG23 0.08 -0.02 -0.22 -0.04 0.95 0.75 3lc6A1 LEU 380 H 0.10 0.59 0.30 -0.55 8.37 8.81 3lc6A1 LEU 380 HA 0.17 0.17 0.98 -0.75 4.35 4.91 3lc6A1 LEU 380 HB2 -0.09 0.14 0.08 -0.04 1.64 1.72 3lc6A1 LEU 380 HB3 -0.13 0.00 -0.14 -0.04 1.64 1.34 3lc6A1 LEU 380 HG -0.36 0.01 -0.10 -0.04 1.64 1.15 3lc6A1 LEU 380 HD13 -0.32 0.01 -0.22 -0.04 0.93 0.36 3lc6A1 LEU 380 HD23 -0.71 -0.01 -0.11 -0.04 0.89 0.02 3lc6A1 GLU 381 H 0.11 0.16 0.11 -0.55 8.60 8.44 3lc6A1 GLU 381 HA 0.07 0.11 0.52 -0.75 4.29 4.24 3lc6A1 GLU 381 HB2 0.18 -0.05 0.20 -0.04 2.09 2.37 3lc6A1 GLU 381 HB3 0.14 -0.05 0.11 -0.04 1.99 2.15 3lc6A1 GLU 381 HG2 -0.05 0.07 0.03 -0.04 2.34 2.35 3lc6A1 GLU 381 HG3 0.06 0.05 0.03 -0.04 2.34 2.44 3lc6A1 LYS 382 H 0.04 0.43 0.47 -0.55 8.42 8.81 3lc6A1 LYS 382 HA 0.01 0.05 0.47 -0.75 4.32 4.09 3lc6A1 LYS 382 HB2 0.01 -0.11 -0.21 -0.04 1.87 1.52 3lc6A1 LYS 382 HB3 0.03 0.44 0.18 -0.04 1.79 2.39 3lc6A1 LYS 382 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.33 3lc6A1 LYS 382 HG3 0.01 -0.01 -0.17 -0.04 1.46 1.25 3lc6A1 LYS 382 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 3lc6A1 LYS 382 HD3 -0.00 -0.01 -0.12 -0.04 1.68 1.51 3lc6A1 LYS 382 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.89 3lc6A1 LYS 382 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 3lc6A1 ARG 383 H 0.08 0.02 -0.20 -0.55 8.46 7.81 3lc6A1 ARG 383 HA 0.02 0.23 0.70 -0.75 4.34 4.54 3lc6A1 ARG 383 HB2 0.08 0.04 -0.02 -0.04 1.90 1.96 3lc6A1 ARG 383 HB3 0.03 0.03 0.09 -0.04 1.80 1.90 3lc6A1 ARG 383 HG2 0.04 0.02 0.03 -0.04 1.67 1.72 3lc6A1 ARG 383 HG3 0.05 -0.02 0.07 -0.04 1.67 1.72 3lc6A1 ARG 383 HD2 0.12 -0.13 0.06 -0.04 3.22 3.24 3lc6A1 ARG 383 HD3 0.10 0.05 0.01 -0.04 3.22 3.34 3lc6A1 HIS 384 H 0.21 0.04 -0.23 -0.55 8.41 7.88 3lc6A1 HIS 384 HA 0.02 0.21 0.74 -0.75 4.63 4.84 3lc6A1 HIS 384 HB2 0.12 -0.08 0.14 -0.04 3.26 3.40 3lc6A1 HIS 384 HB3 0.19 -0.09 0.15 -0.04 3.20 3.41 3lc6A1 HIS 384 HD2 -0.17 -0.12 0.07 -0.04 6.97 6.70 3lc6A1 HIS 384 HE1 -0.03 0.00 0.03 -0.04 7.75 7.71 3lc6A1 ILE 385 H 0.06 0.22 -0.55 -0.55 8.25 7.43 3lc6A1 ILE 385 HA 0.03 0.00 0.76 -0.75 4.18 4.21 3lc6A1 ILE 385 HB -0.02 0.12 0.08 -0.04 1.89 2.03 3lc6A1 ILE 385 HG12 0.02 0.50 0.13 -0.04 1.49 2.09 3lc6A1 ILE 385 HG13 -0.06 -0.07 -0.11 -0.04 1.21 0.93 3lc6A1 ILE 385 HG23 -0.10 0.06 -0.08 -0.04 0.93 0.76 3lc6A1 ILE 385 HD13 -0.15 -0.05 -0.19 -0.04 0.88 0.44 3lc6A1 SER 386 H 0.01 0.21 0.22 -0.55 8.46 8.34 3lc6A1 SER 386 HA -0.01 0.16 0.47 -0.75 4.49 4.35 3lc6A1 SER 386 HB2 -0.01 -0.49 0.11 -0.04 3.95 3.52 3lc6A1 SER 386 HB3 -0.00 0.03 0.22 -0.04 3.93 4.14 3lc6A1 PRO 387 HA -0.02 0.24 0.75 -0.51 4.44 4.90 3lc6A1 PRO 387 HB2 -0.01 0.02 -0.01 -0.04 2.28 2.24 3lc6A1 PRO 387 HB3 -0.01 0.09 0.10 -0.04 2.02 2.16 3lc6A1 PRO 387 HG2 -0.01 0.04 0.07 -0.04 2.03 2.09 3lc6A1 PRO 387 HG3 -0.01 0.13 0.07 -0.04 2.03 2.17 3lc6A1 PRO 387 HD2 -0.01 -0.00 0.24 -0.04 3.68 3.87 3lc6A1 PRO 387 HD3 -0.01 0.18 0.25 -0.04 3.65 4.03 3lc6A1 ALA 388 H -0.01 0.11 -0.01 -0.55 8.40 7.94 3lc6A1 ALA 388 HA -0.01 0.18 0.63 -0.75 4.34 4.39 3lc6A1 ALA 388 HB3 0.00 0.02 0.07 -0.04 1.41 1.46 3lc6A1 LEU 389 H -0.01 0.07 -0.08 -0.55 8.37 7.80 3lc6A1 LEU 389 HA -0.01 0.10 0.39 -0.75 4.35 4.07 3lc6A1 LEU 389 HB2 -0.01 -0.01 0.03 -0.04 1.64 1.61 3lc6A1 LEU 389 HB3 -0.06 0.01 0.00 -0.04 1.64 1.56 3lc6A1 LEU 389 HG -0.17 0.01 -0.29 -0.04 1.64 1.15 3lc6A1 LEU 389 HD13 0.04 -0.01 -0.24 -0.04 0.93 0.67 3lc6A1 LEU 389 HD23 -0.22 0.02 -0.25 -0.04 0.89 0.39 3lc6A1 MET 390 H -0.05 0.21 -0.52 -0.55 8.47 7.57 3lc6A1 MET 390 HA -0.08 0.04 0.25 -0.75 4.52 3.97 3lc6A1 MET 390 HB2 -0.05 0.26 0.03 -0.04 2.15 2.35 3lc6A1 MET 390 HB3 -0.03 0.09 -0.04 -0.04 2.03 2.00 3lc6A1 MET 390 HG2 -0.03 0.03 -0.06 -0.04 2.63 2.53 3lc6A1 MET 390 HG3 -0.04 -0.07 -0.16 -0.04 2.56 2.24 3lc6A1 MET 390 HE3 -0.03 0.00 -0.08 -0.04 2.10 1.95 3lc6A1 GLU 391 H -0.02 0.27 -0.48 -0.55 8.60 7.83 3lc6A1 GLU 391 HA -0.02 0.04 0.24 -0.75 4.29 3.80 3lc6A1 GLU 391 HB2 -0.01 0.08 0.11 -0.04 2.09 2.23 3lc6A1 GLU 391 HB3 -0.01 0.08 0.12 -0.04 1.99 2.15 3lc6A1 GLU 391 HG2 -0.00 -0.01 -0.02 -0.04 2.34 2.26 3lc6A1 GLU 391 HG3 -0.01 -0.00 -0.24 -0.04 2.34 2.05 3lc6A1 LEU 392 H -0.01 0.31 -0.12 -0.55 8.37 8.00 3lc6A1 LEU 392 HA -0.01 0.10 0.67 -0.75 4.35 4.35 3lc6A1 LEU 392 HB2 0.01 0.01 0.04 -0.04 1.64 1.66 3lc6A1 LEU 392 HB3 0.00 0.00 0.08 -0.04 1.64 1.68 3lc6A1 LEU 392 HG 0.00 0.06 -0.20 -0.04 1.64 1.46 3lc6A1 LEU 392 HD13 0.02 -0.00 -0.05 -0.04 0.93 0.86 3lc6A1 LEU 392 HD23 0.01 0.03 0.07 -0.04 0.89 0.95 3lc6A1 LEU 393 H -0.03 0.56 -0.19 -0.55 8.37 8.16 3lc6A1 LEU 393 HA -0.03 -0.01 0.23 -0.75 4.35 3.78 3lc6A1 LEU 393 HB2 -0.09 0.15 -0.05 -0.04 1.64 1.62 3lc6A1 LEU 393 HB3 -0.09 0.01 0.03 -0.04 1.64 1.55 3lc6A1 LEU 393 HG -0.10 0.05 -0.18 -0.04 1.64 1.37 3lc6A1 LEU 393 HD13 -0.10 -0.02 -0.13 -0.04 0.93 0.64 3lc6A1 LEU 393 HD23 -0.28 -0.02 -0.19 -0.04 0.89 0.35 3lc6A1 LEU 394 H -0.04 1.25 -0.03 -0.55 8.37 9.00 3lc6A1 LEU 394 HA -0.04 0.06 0.35 -0.75 4.35 3.96 3lc6A1 LEU 394 HB2 -0.03 0.09 0.05 -0.04 1.64 1.71 3lc6A1 LEU 394 HB3 -0.03 -0.05 -0.14 -0.04 1.64 1.37 3lc6A1 LEU 394 HG -0.04 -0.01 -0.07 -0.04 1.64 1.48 3lc6A1 LEU 394 HD13 -0.02 -0.03 -0.11 -0.04 0.93 0.73 3lc6A1 LEU 394 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.77 3lc6A1 GLN 395 H -0.03 0.33 -0.36 -0.55 8.47 7.85 3lc6A1 GLN 395 HA -0.06 0.14 0.92 -0.75 4.36 4.61 3lc6A1 GLN 395 HB2 -0.04 0.08 0.04 -0.04 2.15 2.19 3lc6A1 GLN 395 HB3 -0.07 -0.06 0.12 -0.04 2.02 1.97 3lc6A1 GLN 395 HG2 -0.04 -0.04 -0.62 -0.04 2.40 1.66 3lc6A1 GLN 395 HG3 -0.03 0.05 -0.06 -0.04 2.39 2.30 3lc6A1 GLN 395 HE21 -0.03 -0.03 -0.04 -0.04 6.97 6.83 3lc6A1 GLN 395 HE22 -0.03 0.01 -0.09 -0.04 7.69 7.53 3lc6A1 GLU 396 H -0.03 0.91 0.06 -0.55 8.60 9.00 3lc6A1 GLU 396 HA -0.02 0.12 0.77 -0.75 4.29 4.41 3lc6A1 GLU 396 HB2 -0.00 0.15 0.01 -0.04 2.09 2.21 3lc6A1 GLU 396 HB3 0.00 -0.05 0.04 -0.04 1.99 1.94 3lc6A1 GLU 396 HG2 0.01 0.02 0.10 -0.04 2.34 2.43 3lc6A1 GLU 396 HG3 0.00 -0.04 -0.01 -0.04 2.34 2.25 3lc6A1 ALA 397 H -0.03 0.37 -0.27 -0.55 8.40 7.93 3lc6A1 ALA 397 HA -0.02 -0.04 0.45 -0.75 4.34 3.98 3lc6A1 ALA 397 HB3 -0.01 0.05 0.05 -0.04 1.41 1.46 3lc6A1 ALA 398 H -0.05 0.05 -0.17 -0.55 8.40 7.69 3lc6A1 ALA 398 HA -0.03 0.28 0.76 -0.75 4.34 4.60 3lc6A1 ALA 398 HB3 -0.06 0.00 0.13 -0.04 1.41 1.44 3lc6A1 GLU 399 H -0.03 0.06 0.04 -0.55 8.60 8.12 3lc6A1 GLU 399 HA -0.01 0.09 0.42 -0.75 4.29 4.04 3lc6A1 GLU 399 HB2 -0.00 -0.00 0.03 -0.04 2.09 2.08 3lc6A1 GLU 399 HB3 -0.00 0.02 0.12 -0.04 1.99 2.09 3lc6A1 GLU 399 HG2 -0.03 -0.16 0.08 -0.04 2.34 2.18 3lc6A1 GLU 399 HG3 -0.01 0.17 0.10 -0.04 2.34 2.56 3lc6A1 LYS 400 H -0.01 -0.07 -0.75 -0.55 8.42 7.04 3lc6A1 LYS 400 HA 0.02 0.10 0.36 -0.75 4.32 4.05 3lc6A1 LYS 400 HB2 -0.00 0.06 -0.08 -0.04 1.87 1.81 3lc6A1 LYS 400 HB3 0.02 -0.02 0.11 -0.04 1.79 1.85 3lc6A1 LYS 400 HG2 0.03 -0.03 -0.10 -0.04 1.46 1.32 3lc6A1 LYS 400 HG3 0.01 -0.14 -0.11 -0.04 1.46 1.18 3lc6A1 LYS 400 HD2 0.01 0.68 0.06 -0.04 1.69 2.39 3lc6A1 LYS 400 HD3 0.02 -0.03 0.07 -0.04 1.68 1.71 3lc6A1 LYS 400 HE2 0.08 -0.06 -0.07 -0.04 2.99 2.90 3lc6A1 LYS 400 HE3 0.08 0.11 -0.19 -0.04 2.99 2.94 3lc6A1 ILE 401 H -0.01 0.38 -0.28 -0.55 8.25 7.79 3lc6A1 ILE 401 HA 0.01 0.37 1.12 -0.75 4.18 4.93 3lc6A1 ILE 401 HB -0.01 -0.10 -0.07 -0.04 1.89 1.66 3lc6A1 ILE 401 HG12 -0.02 0.23 0.12 -0.04 1.49 1.77 3lc6A1 ILE 401 HG13 -0.01 -0.03 -0.45 -0.04 1.21 0.68 3lc6A1 ILE 401 HG23 -0.02 -0.02 -0.19 -0.04 0.93 0.66 3lc6A1 ILE 401 HD13 -0.03 -0.06 -0.17 -0.04 0.88 0.57 3lc6A1 THR 402 H 0.01 0.43 0.31 -0.55 8.28 8.47 3lc6A1 THR 402 HA -0.00 0.09 0.47 -0.75 4.39 4.20 3lc6A1 THR 402 HB 0.01 0.13 -0.12 -0.04 4.32 4.30 3lc6A1 THR 402 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 3lc6A1 ASP 403 H -0.00 0.16 0.14 -0.55 8.40 8.15 3lc6A1 ASP 403 HA -0.00 0.03 0.68 -0.75 4.63 4.59 3lc6A1 ASP 403 HB2 -0.01 0.01 0.14 -0.04 2.71 2.82 3lc6A1 ASP 403 HB3 -0.00 -0.03 0.15 -0.04 2.70 2.77 3lc6A1 LEU 404 H 0.01 1.02 0.54 -0.55 8.37 9.39 3lc6A1 LEU 404 HA 0.02 0.12 0.84 -0.75 4.35 4.57 3lc6A1 LEU 404 HB2 0.02 0.02 -0.14 -0.04 1.64 1.50 3lc6A1 LEU 404 HB3 0.03 -0.03 -0.05 -0.04 1.64 1.55 3lc6A1 LEU 404 HG 0.02 -0.08 -0.00 -0.04 1.64 1.54 3lc6A1 LEU 404 HD13 0.03 0.01 -0.05 -0.04 0.93 0.88 3lc6A1 LEU 404 HD23 0.04 -0.01 -0.10 -0.04 0.89 0.78 3lc6A1 GLY 405 H 0.01 0.18 -0.12 -0.55 8.43 7.96 3lc6A1 GLY 405 HA2 0.01 0.04 0.33 -0.51 4.01 3.88 3lc6A1 GLY 405 HA3 0.01 0.01 0.59 -0.51 4.01 4.12 3lc6A1 GLU 406 H 0.02 0.17 0.26 -0.55 8.60 8.51 3lc6A1 GLU 406 HA 0.02 0.09 0.33 -0.75 4.29 3.96 3lc6A1 GLU 406 HB2 0.02 0.03 0.07 -0.04 2.09 2.17 3lc6A1 GLU 406 HB3 0.02 -0.03 0.17 -0.04 1.99 2.11 3lc6A1 GLU 406 HG2 0.01 0.01 0.03 -0.04 2.34 2.35 3lc6A1 GLU 406 HG3 0.02 -0.01 0.14 -0.04 2.34 2.44 3lc6A1 GLN 407 H 0.02 0.42 -0.80 -0.55 8.47 7.57 3lc6A1 GLN 407 HA 0.03 0.01 0.94 -0.75 4.36 4.59 3lc6A1 GLN 407 HB2 0.04 0.07 -0.04 -0.04 2.15 2.17 3lc6A1 GLN 407 HB3 0.05 0.07 -0.05 -0.04 2.02 2.05 3lc6A1 GLN 407 HG2 0.06 -0.00 -0.18 -0.04 2.40 2.23 3lc6A1 GLN 407 HG3 0.04 -0.04 -0.55 -0.04 2.39 1.80 3lc6A1 GLN 407 HE21 0.04 -0.00 -0.09 -0.04 6.97 6.88 3lc6A1 GLN 407 HE22 0.06 -0.01 -0.14 -0.04 7.69 7.55 3lc6A1 ILE 408 H 0.02 0.50 0.24 -0.55 8.25 8.45 3lc6A1 ILE 408 HA 0.01 0.11 1.05 -0.75 4.18 4.59 3lc6A1 ILE 408 HB -0.02 0.03 -0.06 -0.04 1.89 1.79 3lc6A1 ILE 408 HG12 -0.04 -0.08 0.04 -0.04 1.49 1.37 3lc6A1 ILE 408 HG13 -0.04 0.08 -0.41 -0.04 1.21 0.79 3lc6A1 ILE 408 HG23 -0.02 0.02 -0.15 -0.04 0.93 0.73 3lc6A1 ILE 408 HD13 -0.11 0.00 -0.15 -0.04 0.88 0.58 3lc6A1 VAL 409 H 0.02 1.01 0.38 -0.55 8.24 9.10 3lc6A1 VAL 409 HA 0.07 0.23 1.18 -0.75 4.13 4.85 3lc6A1 VAL 409 HB 0.04 0.01 0.04 -0.04 2.12 2.17 3lc6A1 VAL 409 HG13 0.06 0.01 -0.26 -0.04 0.97 0.74 3lc6A1 VAL 409 HG23 0.07 -0.01 -0.26 -0.04 0.95 0.72 3lc6A1 ILE 410 H 0.09 0.58 0.33 -0.55 8.25 8.70 3lc6A1 ILE 410 HA 0.03 0.33 0.99 -0.75 4.18 4.77 3lc6A1 ILE 410 HB -0.01 0.05 -0.06 -0.04 1.89 1.83 3lc6A1 ILE 410 HG12 0.05 -0.09 -0.31 -0.04 1.49 1.09 3lc6A1 ILE 410 HG13 -0.01 0.08 -0.18 -0.04 1.21 1.07 3lc6A1 ILE 410 HG23 -0.02 0.02 -0.03 -0.04 0.93 0.85 3lc6A1 ILE 410 HD13 0.04 -0.02 -0.13 -0.04 0.88 0.72 3lc6A1 ARG 411 H 0.04 0.36 0.27 -0.55 8.46 8.58 3lc6A1 ARG 411 HA 0.09 0.44 1.10 -0.75 4.34 5.21 3lc6A1 ARG 411 HB2 0.09 0.06 0.24 -0.04 1.90 2.24 3lc6A1 ARG 411 HB3 0.10 -0.07 0.03 -0.04 1.80 1.83 3lc6A1 ARG 411 HG2 0.05 0.08 -0.03 -0.04 1.67 1.73 3lc6A1 ARG 411 HG3 0.05 -0.02 -0.14 -0.04 1.67 1.52 3lc6A1 ARG 411 HD2 0.03 0.03 -0.02 -0.04 3.22 3.22 3lc6A1 ARG 411 HD3 0.01 -0.06 -0.03 -0.04 3.22 3.10 3lc6A1 HIS 412 H 0.09 0.41 0.45 -0.55 8.41 8.82 3lc6A1 HIS 412 HA -0.11 0.21 0.41 -0.75 4.63 4.38 3lc6A1 HIS 412 HB2 -0.19 -0.07 0.08 -0.04 3.26 3.04 3lc6A1 HIS 412 HB3 -0.12 -0.02 0.01 -0.04 3.20 3.02 3lc6A1 HIS 412 HD2 -0.08 0.18 -0.11 -0.04 6.97 6.91 3lc6A1 HIS 412 HE1 -0.11 -0.15 0.05 -0.04 7.75 7.50 3lc6A1 LEU 413 H -0.01 0.20 0.05 -0.55 8.37 8.06 3lc6A1 LEU 413 HA -0.39 0.19 0.56 -0.75 4.35 3.96 3lc6A1 LEU 413 HB2 -0.05 0.02 -0.16 -0.04 1.64 1.40 3lc6A1 LEU 413 HB3 0.14 -0.02 -0.03 -0.04 1.64 1.69 3lc6A1 LEU 413 HG 0.03 0.01 -0.47 -0.04 1.64 1.17 3lc6A1 LEU 413 HD13 -0.18 -0.03 -0.31 -0.04 0.93 0.37 3lc6A1 LEU 413 HD23 0.05 -0.01 -0.17 -0.04 0.89 0.72 3lc6A1 TYR 414 H -0.23 0.40 0.20 -0.55 8.29 8.11 3lc6A1 TYR 414 HA -0.24 0.39 1.06 -0.75 4.56 5.02 3lc6A1 TYR 414 HB2 -0.37 0.03 0.23 -0.04 3.06 2.91 3lc6A1 TYR 414 HB3 -0.28 0.01 -0.01 -0.04 2.98 2.65 3lc6A1 TYR 414 HD2 -0.64 0.14 0.02 -0.04 7.15 6.63 3lc6A1 TYR 414 HE2 -0.30 -0.08 -0.12 -0.04 6.85 6.31 3lc6A1 ILE 415 H -0.09 0.14 0.30 -0.55 8.25 8.05 3lc6A1 ILE 415 HA -0.33 0.56 1.21 -0.75 4.18 4.87 3lc6A1 ILE 415 HB -0.17 -0.10 0.06 -0.04 1.89 1.65 3lc6A1 ILE 415 HG12 -0.10 -0.05 -0.18 -0.04 1.49 1.12 3lc6A1 ILE 415 HG13 -0.93 0.09 -0.16 -0.04 1.21 0.17 3lc6A1 ILE 415 HG23 -0.37 -0.01 -0.25 -0.04 0.93 0.26 3lc6A1 ILE 415 HD13 0.02 0.06 -0.66 -0.04 0.88 0.26 3lc6A1 GLU 416 H -0.27 0.38 0.26 -0.55 8.60 8.42 3lc6A1 GLU 416 HA -0.12 0.15 0.69 -0.75 4.29 4.26 3lc6A1 GLU 416 HB2 0.01 0.66 0.18 -0.04 2.09 2.90 3lc6A1 GLU 416 HB3 -0.04 -0.15 -0.23 -0.04 1.99 1.52 3lc6A1 GLU 416 HG2 -0.12 0.17 -0.43 -0.04 2.34 1.92 3lc6A1 GLU 416 HG3 0.05 0.02 -0.10 -0.04 2.34 2.26 3lc6A1 ARG 417 H -0.24 0.16 0.09 -0.55 8.46 7.92 3lc6A1 ARG 417 HA -0.34 -0.01 0.49 -0.75 4.34 3.72 3lc6A1 ARG 417 HB2 -0.89 -0.10 0.14 -0.04 1.90 1.01 3lc6A1 ARG 417 HB3 -1.16 -0.03 0.11 -0.04 1.80 0.68 3lc6A1 ARG 417 HG2 -0.51 0.27 -0.00 -0.04 1.67 1.38 3lc6A1 ARG 417 HG3 -0.38 0.09 0.16 -0.04 1.67 1.49 3lc6A1 ARG 417 HD2 -2.14 -0.08 0.01 -0.04 3.22 0.97 3lc6A1 ARG 417 HD3 -0.26 -0.03 0.02 -0.04 3.22 2.90 3lc6A1 ARG 418 H -0.23 0.70 0.87 -0.55 8.46 9.25 3lc6A1 ARG 418 HA -0.14 -0.07 0.39 -0.75 4.34 3.77 3lc6A1 ARG 418 HB2 -0.09 -0.11 -0.46 -0.04 1.90 1.19 3lc6A1 ARG 418 HB3 -0.08 -0.01 -0.17 -0.04 1.80 1.50 3lc6A1 ARG 418 HG2 -0.01 0.02 -0.14 -0.04 1.67 1.51 3lc6A1 ARG 418 HG3 -0.03 -0.11 0.05 -0.04 1.67 1.54 3lc6A1 ARG 418 HD2 0.03 -0.11 -0.13 -0.04 3.22 2.97 3lc6A1 ARG 418 HD3 0.04 0.34 -0.05 -0.04 3.22 3.51 3lc6A1 MET 419 H -0.05 0.11 0.08 -0.55 8.47 8.06 3lc6A1 MET 419 HA 0.02 0.18 0.52 -0.75 4.52 4.48 3lc6A1 MET 419 HB2 0.10 -0.03 -0.06 -0.04 2.15 2.12 3lc6A1 MET 419 HB3 0.10 -0.19 0.22 -0.04 2.03 2.11 3lc6A1 MET 419 HG2 0.10 0.16 -0.24 -0.04 2.63 2.61 3lc6A1 MET 419 HG3 0.01 0.18 -0.40 -0.04 2.56 2.30 3lc6A1 MET 419 HE3 0.22 -0.02 -0.18 -0.04 2.10 2.08 3lc6A1 VAL 420 H 0.02 0.10 0.13 -0.55 8.24 7.95 3lc6A1 VAL 420 HA 0.06 0.21 0.76 -0.75 4.13 4.41 3lc6A1 VAL 420 HB 0.09 0.01 -0.02 -0.04 2.12 2.16 3lc6A1 VAL 420 HG13 0.01 0.03 -0.21 -0.04 0.97 0.76 3lc6A1 VAL 420 HG23 -0.26 -0.01 -0.04 -0.04 0.95 0.59 3lc6A1 PRO 421 HA 0.21 0.27 0.45 -0.51 4.44 4.86 3lc6A1 PRO 421 HB2 0.14 -0.19 0.03 -0.04 2.28 2.22 3lc6A1 PRO 421 HB3 0.18 0.11 0.12 -0.04 2.02 2.38 3lc6A1 PRO 421 HG2 0.10 0.10 -0.37 -0.04 2.03 1.82 3lc6A1 PRO 421 HG3 0.12 0.14 -0.06 -0.04 2.03 2.19 3lc6A1 PRO 421 HD2 0.10 0.04 0.06 -0.04 3.68 3.84 3lc6A1 PRO 421 HD3 0.07 0.24 -0.10 -0.04 3.65 3.82 3lc6A1 LEU 422 H 0.14 0.53 0.24 -0.55 8.37 8.74 3lc6A1 LEU 422 HA 0.11 0.08 0.19 -0.75 4.35 3.98 3lc6A1 LEU 422 HB2 0.10 0.09 -0.01 -0.04 1.64 1.78 3lc6A1 LEU 422 HB3 0.09 0.29 0.18 -0.04 1.64 2.17 3lc6A1 LEU 422 HG -0.04 -0.13 -0.11 -0.04 1.64 1.32 3lc6A1 LEU 422 HD13 -0.04 0.02 -0.07 -0.04 0.93 0.79 3lc6A1 LEU 422 HD23 -0.31 -0.03 0.04 -0.04 0.89 0.55 3lc6A1 ASN 423 H 0.14 0.09 -0.24 -0.55 8.53 7.98 3lc6A1 ASN 423 HA 0.10 0.10 0.24 -0.75 4.76 4.44 3lc6A1 ASN 423 HB2 0.16 0.07 -0.03 -0.04 2.88 3.04 3lc6A1 ASN 423 HB3 0.20 -0.09 -0.06 -0.04 2.79 2.80 3lc6A1 ASN 423 HD21 0.11 -0.04 -0.11 -0.04 7.03 6.95 3lc6A1 ASN 423 HD22 0.11 0.07 -0.32 -0.04 7.74 7.56 3lc6A1 ILE 424 H 0.15 0.17 -0.44 -0.55 8.25 7.58 3lc6A1 ILE 424 HA 0.10 0.07 0.50 -0.75 4.18 4.09 3lc6A1 ILE 424 HB 0.18 0.18 0.07 -0.04 1.89 2.29 3lc6A1 ILE 424 HG12 0.12 -0.16 -0.02 -0.04 1.49 1.40 3lc6A1 ILE 424 HG13 0.12 0.07 -0.01 -0.04 1.21 1.35 3lc6A1 ILE 424 HG23 0.12 0.00 -0.11 -0.04 0.93 0.89 3lc6A1 ILE 424 HD13 0.09 -0.02 0.05 -0.04 0.88 0.95 3lc6A1 TRP 425 H 0.32 0.44 -0.11 -0.55 7.97 8.08 3lc6A1 TRP 425 HA 0.01 0.01 0.31 -0.75 4.62 4.20 3lc6A1 TRP 425 HB2 0.03 0.06 -0.03 -0.04 3.23 3.24 3lc6A1 TRP 425 HB3 -0.00 0.12 -0.05 -0.04 3.23 3.26 3lc6A1 TRP 425 HD1 0.02 -0.01 -0.08 -0.04 7.22 7.12 3lc6A1 TRP 425 HE1 0.02 0.02 -0.09 -0.04 10.20 10.11 3lc6A1 TRP 425 HE3 -0.04 0.06 -0.31 -0.04 7.59 7.26 3lc6A1 TRP 425 HZ2 0.00 0.05 -0.09 -0.04 7.44 7.36 3lc6A1 TRP 425 HZ3 -0.04 -0.04 -0.18 -0.04 7.13 6.83 3lc6A1 TRP 425 HH2 -0.02 0.01 -0.13 -0.04 7.19 7.01 3lc6A1 LEU 426 H 0.20 0.69 -0.11 -0.55 8.37 8.59 3lc6A1 LEU 426 HA 0.02 -0.01 0.35 -0.75 4.35 3.96 3lc6A1 LEU 426 HB2 0.01 0.15 -0.01 -0.04 1.64 1.74 3lc6A1 LEU 426 HB3 -0.01 0.03 -0.08 -0.04 1.64 1.55 3lc6A1 LEU 426 HG -0.14 -0.02 -0.06 -0.04 1.64 1.38 3lc6A1 LEU 426 HD13 -0.09 0.01 -0.08 -0.04 0.93 0.73 3lc6A1 LEU 426 HD23 -0.58 -0.01 -0.08 -0.04 0.89 0.17 3lc6A1 GLU 427 H 0.01 0.29 -0.53 -0.55 8.60 7.82 3lc6A1 GLU 427 HA -0.05 0.05 0.55 -0.75 4.29 4.09 3lc6A1 GLU 427 HB2 0.00 0.24 0.15 -0.04 2.09 2.44 3lc6A1 GLU 427 HB3 -0.01 -0.08 0.04 -0.04 1.99 1.90 3lc6A1 GLU 427 HG2 0.04 0.24 0.09 -0.04 2.34 2.68 3lc6A1 GLU 427 HG3 0.04 -0.08 0.06 -0.04 2.34 2.32 3lc6A1 GLN 428 H -0.14 0.08 -0.15 -0.55 8.47 7.72 3lc6A1 GLN 428 HA -0.14 -0.00 0.24 -0.75 4.36 3.71 3lc6A1 GLN 428 HB2 -0.32 -0.03 0.14 -0.04 2.15 1.90 3lc6A1 GLN 428 HB3 -0.30 -0.04 0.01 -0.04 2.02 1.64 3lc6A1 GLN 428 HG2 -0.05 -0.02 -0.00 -0.04 2.40 2.28 3lc6A1 GLN 428 HG3 -0.03 0.03 -0.05 -0.04 2.39 2.29 3lc6A1 GLN 428 HE21 0.09 -0.03 -0.08 -0.04 6.97 6.91 3lc6A1 GLN 428 HE22 0.04 0.01 -0.07 -0.04 7.69 7.63 3lc6A1 VAL 429 H -0.44 0.36 -0.44 -0.55 8.24 7.16 3lc6A1 VAL 429 HA -0.34 0.13 0.85 -0.75 4.13 4.03 3lc6A1 VAL 429 HB -0.41 -0.21 -0.11 -0.04 2.12 1.35 3lc6A1 VAL 429 HG13 -1.19 -0.01 -0.15 -0.04 0.97 -0.42 3lc6A1 VAL 429 HG23 -0.69 0.13 -0.11 -0.04 0.95 0.24 3lc6A1 GLU 430 H -0.16 0.32 0.25 -0.55 8.60 8.46 3lc6A1 GLU 430 HA -0.09 0.07 0.18 -0.75 4.29 3.70 3lc6A1 GLU 430 HB2 -0.07 0.25 0.26 -0.04 2.09 2.49 3lc6A1 GLU 430 HB3 -0.07 -0.00 -0.00 -0.04 1.99 1.87 3lc6A1 GLU 430 HG2 -0.04 -0.03 -0.05 -0.04 2.34 2.18 3lc6A1 GLU 430 HG3 -0.04 -0.29 0.18 -0.04 2.34 2.15 3lc6A1 GLY 431 H -0.04 0.25 0.14 -0.55 8.43 8.23 3lc6A1 GLY 431 HA2 -0.03 0.12 0.32 -0.51 4.01 3.91 3lc6A1 GLY 431 HA3 -0.03 0.16 0.79 -0.51 4.01 4.41 3lc6A1 GLN 432 H -0.02 0.22 0.20 -0.55 8.47 8.32 3lc6A1 GLN 432 HA -0.00 0.10 0.44 -0.75 4.36 4.14 3lc6A1 GLN 432 HB2 -0.00 0.01 0.18 -0.04 2.15 2.29 3lc6A1 GLN 432 HB3 0.01 0.04 0.04 -0.04 2.02 2.07 3lc6A1 GLN 432 HG2 0.01 0.04 0.03 -0.04 2.40 2.43 3lc6A1 GLN 432 HG3 0.01 0.01 0.05 -0.04 2.39 2.42 3lc6A1 GLN 432 HE21 0.00 0.02 0.02 -0.04 6.97 6.97 3lc6A1 GLN 432 HE22 0.01 0.02 0.03 -0.04 7.69 7.70 3lc6A1 GLN 433 H -0.02 0.13 -0.22 -0.55 8.47 7.81 3lc6A1 GLN 433 HA 0.05 0.12 0.42 -0.75 4.36 4.19 3lc6A1 GLN 433 HB2 -0.12 0.00 -0.02 -0.04 2.15 1.98 3lc6A1 GLN 433 HB3 -0.15 0.06 -0.10 -0.04 2.02 1.79 3lc6A1 GLN 433 HG2 0.04 0.04 0.00 -0.04 2.40 2.44 3lc6A1 GLN 433 HG3 -0.02 -0.05 0.05 -0.04 2.39 2.32 3lc6A1 GLN 433 HE21 -0.05 0.04 0.01 -0.04 6.97 6.94 3lc6A1 GLN 433 HE22 -0.02 -0.04 0.03 -0.04 7.69 7.62 3lc6A1 LEU 434 H -0.07 0.02 -0.59 -0.55 8.37 7.19 3lc6A1 LEU 434 HA -0.05 0.06 0.09 -0.75 4.35 3.70 3lc6A1 LEU 434 HB2 -0.08 0.00 -0.09 -0.04 1.64 1.43 3lc6A1 LEU 434 HB3 -0.04 0.02 0.03 -0.04 1.64 1.60 3lc6A1 LEU 434 HG -0.03 -0.00 -0.16 -0.04 1.64 1.41 3lc6A1 LEU 434 HD13 -0.06 0.03 -0.00 -0.04 0.93 0.86 3lc6A1 LEU 434 HD23 -0.03 0.04 0.02 -0.04 0.89 0.89 3lc6A1 ARG 435 H -0.01 0.30 -0.72 -0.55 8.46 7.48 3lc6A1 ARG 435 HA -0.02 0.03 0.47 -0.75 4.34 4.07 3lc6A1 ARG 435 HB2 0.01 0.19 0.17 -0.04 1.90 2.22 3lc6A1 ARG 435 HB3 -0.01 -0.05 0.05 -0.04 1.80 1.75 3lc6A1 ARG 435 HG2 -0.01 -0.05 0.02 -0.04 1.67 1.59 3lc6A1 ARG 435 HG3 -0.01 0.04 0.14 -0.04 1.67 1.80 3lc6A1 ARG 435 HD2 -0.00 0.02 0.04 -0.04 3.22 3.23 3lc6A1 ARG 435 HD3 -0.01 -0.01 0.02 -0.04 3.22 3.17 3lc6A1 ASP 436 H 0.04 0.50 -0.00 -0.55 8.40 8.39 3lc6A1 ASP 436 HA 0.01 0.00 0.37 -0.75 4.63 4.26 3lc6A1 ASP 436 HB2 0.07 0.13 0.11 -0.04 2.71 2.98 3lc6A1 ASP 436 HB3 0.04 0.01 0.09 -0.04 2.70 2.80 3lc6A1 ALA 437 H 0.08 0.30 -0.43 -0.55 8.40 7.81 3lc6A1 ALA 437 HA 0.09 0.10 0.57 -0.75 4.34 4.35 3lc6A1 ALA 437 HB3 0.27 0.04 -0.06 -0.04 1.41 1.62 3lc6A1 ILE 438 H -0.02 0.34 -0.16 -0.55 8.25 7.86 3lc6A1 ILE 438 HA -0.09 0.14 0.80 -0.75 4.18 4.28 3lc6A1 ILE 438 HB -0.12 0.07 0.03 -0.04 1.89 1.82 3lc6A1 ILE 438 HG12 -0.07 -0.17 -0.08 -0.04 1.49 1.13 3lc6A1 ILE 438 HG13 -0.05 0.21 0.13 -0.04 1.21 1.45 3lc6A1 ILE 438 HG23 -0.36 -0.01 -0.03 -0.04 0.93 0.49 3lc6A1 ILE 438 HD13 -0.03 0.00 0.01 -0.04 0.88 0.83 3lc6A1 GLU 439 H -0.02 0.34 0.06 -0.55 8.60 8.43 3lc6A1 GLU 439 HA -0.03 0.05 0.40 -0.75 4.29 3.95 3lc6A1 GLU 439 HB2 -0.06 0.13 0.13 -0.04 2.09 2.24 3lc6A1 GLU 439 HB3 -0.01 0.02 0.11 -0.04 1.99 2.06 3lc6A1 GLU 439 HG2 -0.02 -0.05 -0.01 -0.04 2.34 2.23 3lc6A1 GLU 439 HG3 -0.10 0.04 0.03 -0.04 2.34 2.26 3lc6A1 GLU 440 H 0.02 0.48 -0.15 -0.55 8.60 8.41 3lc6A1 GLU 440 HA -0.00 0.05 0.46 -0.75 4.29 4.04 3lc6A1 GLU 440 HB2 -0.01 0.24 0.16 -0.04 2.09 2.43 3lc6A1 GLU 440 HB3 -0.02 0.01 -0.05 -0.04 1.99 1.89 3lc6A1 GLU 440 HG2 -0.05 -0.32 0.17 -0.04 2.34 2.10 3lc6A1 GLU 440 HG3 -0.02 0.05 0.15 -0.04 2.34 2.48 3lc6A1 TYR 441 H 0.06 0.10 -0.74 -0.55 8.29 7.16 3lc6A1 TYR 441 HA -0.33 0.06 0.51 -0.75 4.56 4.04 3lc6A1 TYR 441 HB2 -0.24 0.16 0.13 -0.04 3.06 3.07 3lc6A1 TYR 441 HB3 -0.22 0.18 0.21 -0.04 2.98 3.10 3lc6A1 TYR 441 HD2 -0.55 -0.02 0.01 -0.04 7.15 6.55 3lc6A1 TYR 441 HE2 0.05 0.02 -0.07 -0.04 6.85 6.81 3lc6A1 GLY 442 H -0.19 0.62 0.06 -0.55 8.43 8.37 3lc6A1 GLY 442 HA2 -0.74 0.03 0.34 -0.51 4.01 3.13 3lc6A1 GLY 442 HA3 -1.82 0.05 0.30 -0.51 4.01 2.03 3lc6A1 ASN 443 H 0.02 0.71 -0.07 -0.55 8.53 8.64 3lc6A1 ASN 443 HA -0.05 -0.02 0.54 -0.75 4.76 4.48 3lc6A1 ASN 443 HB2 -0.01 0.06 0.16 -0.04 2.88 3.05 3lc6A1 ASN 443 HB3 -0.03 -0.02 0.02 -0.04 2.79 2.72 3lc6A1 ASN 443 HD21 0.01 -0.04 -0.00 -0.04 7.03 6.95 3lc6A1 ASN 443 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 3lc6A1 ALA 444 H -0.14 0.39 -0.53 -0.55 8.40 7.58 3lc6A1 ALA 444 HA -0.04 -0.00 0.45 -0.75 4.34 4.00 3lc6A1 ALA 444 HB3 -0.02 0.06 0.22 -0.04 1.41 1.63 3lc6A1 ILE 445 H -0.29 0.32 -0.26 -0.55 8.25 7.46 3lc6A1 ILE 445 HA -0.14 0.11 0.69 -0.75 4.18 4.09 3lc6A1 ILE 445 HB -0.34 0.01 0.11 -0.04 1.89 1.63 3lc6A1 ILE 445 HG12 -0.23 -0.03 -0.02 -0.04 1.49 1.17 3lc6A1 ILE 445 HG13 -0.43 0.03 -0.11 -0.04 1.21 0.67 3lc6A1 ILE 445 HG23 0.00 -0.02 0.07 -0.04 0.93 0.94 3lc6A1 ILE 445 HD13 -1.10 -0.03 -0.16 -0.04 0.88 -0.45 3lc6A1 ARG 446 H -0.16 0.35 -0.13 -0.55 8.46 7.98 3lc6A1 ARG 446 HA -0.15 0.08 0.78 -0.75 4.34 4.29 3lc6A1 ARG 446 HB2 -0.08 0.06 0.24 -0.04 1.90 2.08 3lc6A1 ARG 446 HB3 -0.05 -0.06 0.07 -0.04 1.80 1.72 3lc6A1 ARG 446 HG2 -0.13 -0.05 -0.03 -0.04 1.67 1.42 3lc6A1 ARG 446 HG3 -0.11 0.08 -0.22 -0.04 1.67 1.38 3lc6A1 ARG 446 HD2 -0.01 0.00 0.01 -0.04 3.22 3.18 3lc6A1 ARG 446 HD3 0.03 -0.03 0.00 -0.04 3.22 3.18 3lc6A1 GLN 447 H -0.09 0.57 0.06 -0.55 8.47 8.46 3lc6A1 GLN 447 HA -0.08 0.01 0.45 -0.75 4.36 3.98 3lc6A1 GLN 447 HB2 -0.06 0.10 0.06 -0.04 2.15 2.21 3lc6A1 GLN 447 HB3 -0.07 -0.03 0.06 -0.04 2.02 1.94 3lc6A1 GLN 447 HG2 -0.08 -0.12 0.04 -0.04 2.40 2.19 3lc6A1 GLN 447 HG3 -0.07 0.69 0.27 -0.04 2.39 3.25 3lc6A1 GLN 447 HE21 -0.04 -0.05 0.00 -0.04 6.97 6.85 3lc6A1 GLN 447 HE22 -0.04 -0.07 0.03 -0.04 7.69 7.56 3lc6A1 LEU 448 H -0.07 0.27 -0.18 -0.55 8.37 7.84 3lc6A1 LEU 448 HA -0.04 0.00 0.51 -0.75 4.35 4.06 3lc6A1 LEU 448 HB2 -0.09 -0.02 0.28 -0.04 1.64 1.77 3lc6A1 LEU 448 HB3 -0.08 0.32 0.01 -0.04 1.64 1.85 3lc6A1 LEU 448 HG -0.21 -0.07 -0.06 -0.04 1.64 1.26 3lc6A1 LEU 448 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.83 3lc6A1 LEU 448 HD23 -0.17 0.10 -0.03 -0.04 0.89 0.76 3lc6A1 ALA 449 H -0.06 0.06 -0.45 -0.55 8.40 7.40 3lc6A1 ALA 449 HA 0.11 -0.00 0.24 -0.75 4.34 3.93 3lc6A1 ALA 449 HB3 -0.11 0.02 0.12 -0.04 1.41 1.40 3lc6A1 ALA 450 H -0.07 0.29 -0.10 -0.55 8.40 7.96 3lc6A1 ALA 450 HA -0.05 -0.05 0.35 -0.75 4.34 3.84 3lc6A1 ALA 450 HB3 -0.08 -0.04 0.11 -0.04 1.41 1.36 3lc6A1 ALA 451 H -0.02 0.41 -0.01 -0.55 8.40 8.24 3lc6A1 ALA 451 HA 0.05 -0.09 0.55 -0.75 4.34 4.10 3lc6A1 ALA 451 HB3 0.08 0.02 0.09 -0.04 1.41 1.56 3lc6A1 ASN 452 H 0.24 0.00 0.10 -0.55 8.53 8.32 3lc6A1 ASN 452 HA 0.11 0.27 0.27 -0.75 4.76 4.65 3lc6A1 ASN 452 HB2 0.18 -0.01 0.26 -0.04 2.88 3.26 3lc6A1 ASN 452 HB3 0.21 -0.17 0.40 -0.04 2.79 3.19 3lc6A1 ASN 452 HD21 0.00 0.05 0.06 -0.04 7.03 7.10 3lc6A1 ASN 452 HD22 0.05 -0.20 0.16 -0.04 7.74 7.71 3lc6A1 ILE 453 H 0.08 1.42 0.10 -0.55 8.25 9.30 3lc6A1 ILE 453 HA 0.08 0.10 0.93 -0.75 4.18 4.52 3lc6A1 ILE 453 HB -0.05 0.15 0.01 -0.04 1.89 1.97 3lc6A1 ILE 453 HG12 -0.35 -0.11 -0.55 -0.04 1.49 0.43 3lc6A1 ILE 453 HG13 -0.33 -0.05 -0.18 -0.04 1.21 0.61 3lc6A1 ILE 453 HG23 -0.07 -0.05 -0.27 -0.04 0.93 0.49 3lc6A1 ILE 453 HD13 -0.24 0.12 -0.02 -0.04 0.88 0.70 3lc6A1 PHE 454 H 0.25 0.40 0.04 -0.55 8.34 8.48 3lc6A1 PHE 454 HA 0.15 0.17 0.73 -0.75 4.62 4.91 3lc6A1 PHE 454 HB2 0.27 0.02 -0.05 -0.04 3.15 3.36 3lc6A1 PHE 454 HB3 0.12 0.05 -0.01 -0.04 3.06 3.19 3lc6A1 PHE 454 HD2 0.38 0.05 -0.08 -0.04 7.28 7.59 3lc6A1 PHE 454 HE2 -0.04 -0.00 -0.10 -0.04 7.38 7.19 3lc6A1 PHE 454 HZ 0.16 -0.05 -0.12 -0.04 7.32 7.27 3lc6A1 PRO 455 HA -0.33 0.07 0.13 -0.51 4.44 3.80 3lc6A1 PRO 455 HB2 -0.43 -0.04 -0.27 -0.04 2.28 1.50 3lc6A1 PRO 455 HB3 -0.88 0.01 -0.07 -0.04 2.02 1.04 3lc6A1 PRO 455 HG2 -0.26 0.00 0.02 -0.04 2.03 1.75 3lc6A1 PRO 455 HG3 -0.48 0.09 -0.02 -0.04 2.03 1.58 3lc6A1 PRO 455 HD2 -0.39 0.05 0.13 -0.04 3.68 3.42 3lc6A1 PRO 455 HD3 -0.07 0.39 0.24 -0.04 3.65 4.17 3lc6A1 GLY 456 H -0.96 0.02 -0.45 -0.55 8.43 6.49 3lc6A1 GLY 456 HA2 -0.08 -0.07 0.25 -0.51 4.01 3.59 3lc6A1 GLY 456 HA3 -0.05 0.39 0.63 -0.51 4.01 4.48 3lc6A1 ASP 457 H -0.02 0.23 0.27 -0.55 8.40 8.33 3lc6A1 ASP 457 HA -0.10 0.04 0.69 -0.75 4.63 4.50 3lc6A1 ASP 457 HB2 -0.08 0.00 0.13 -0.04 2.71 2.72 3lc6A1 ASP 457 HB3 -0.03 0.03 0.25 -0.04 2.70 2.91 3lc6A1 MET 458 H -0.14 0.16 0.04 -0.55 8.47 7.99 3lc6A1 MET 458 HA 0.13 0.25 0.53 -0.75 4.52 4.67 3lc6A1 MET 458 HB2 -0.11 -0.05 0.06 -0.04 2.15 2.01 3lc6A1 MET 458 HB3 -0.13 0.05 -0.00 -0.04 2.03 1.91 3lc6A1 MET 458 HG2 -0.37 0.16 -0.36 -0.04 2.63 2.03 3lc6A1 MET 458 HG3 -0.59 -0.06 -0.00 -0.04 2.56 1.87 3lc6A1 MET 458 HE3 -0.21 -0.00 -0.03 -0.04 2.10 1.81 3lc6A1 LEU 459 H 0.03 0.05 -0.46 -0.55 8.37 7.45 3lc6A1 LEU 459 HA -0.09 0.10 0.18 -0.75 4.35 3.79 3lc6A1 LEU 459 HB2 -0.06 0.03 0.00 -0.04 1.64 1.58 3lc6A1 LEU 459 HB3 -0.03 -0.15 0.06 -0.04 1.64 1.48 3lc6A1 LEU 459 HG -0.28 0.04 0.01 -0.04 1.64 1.37 3lc6A1 LEU 459 HD13 -0.49 -0.00 -0.02 -0.04 0.93 0.37 3lc6A1 LEU 459 HD23 -0.21 0.01 0.00 -0.04 0.89 0.65 3lc6A1 PHE 460 H -0.01 0.12 0.13 -0.55 8.34 8.03 3lc6A1 PHE 460 HA -0.13 0.23 0.26 -0.75 4.62 4.23 3lc6A1 PHE 460 HB2 0.02 -0.04 0.13 -0.04 3.15 3.22 3lc6A1 PHE 460 HB3 -0.05 -0.01 -0.02 -0.04 3.06 2.94 3lc6A1 PHE 460 HD2 -0.23 0.03 -0.04 -0.04 7.28 6.99 3lc6A1 PHE 460 HE2 0.06 -0.01 0.03 -0.04 7.38 7.41 3lc6A1 PHE 460 HZ 0.14 0.43 0.18 -0.04 7.32 8.03 3lc6A1 LYS 461 H 0.17 0.09 -0.15 -0.55 8.42 7.98 3lc6A1 LYS 461 HA 0.16 -0.08 0.43 -0.75 4.32 4.07 3lc6A1 LYS 461 HB2 0.13 -0.00 0.15 -0.04 1.87 2.11 3lc6A1 LYS 461 HB3 0.14 -0.03 0.06 -0.04 1.79 1.92 3lc6A1 LYS 461 HG2 0.07 0.12 -0.41 -0.04 1.46 1.20 3lc6A1 LYS 461 HG3 0.08 0.03 -0.05 -0.04 1.46 1.47 3lc6A1 LYS 461 HD2 0.08 -0.00 -0.01 -0.04 1.69 1.71 3lc6A1 LYS 461 HD3 0.09 -0.12 -0.15 -0.04 1.68 1.46 3lc6A1 LYS 461 HE2 -0.02 -0.05 -0.08 -0.04 2.99 2.80 3lc6A1 LYS 461 HE3 0.01 0.06 -0.13 -0.04 2.99 2.89 3lc6A1 ASN 462 H 0.20 0.28 -0.43 -0.55 8.53 8.03 3lc6A1 ASN 462 HA -0.44 0.15 0.59 -0.75 4.76 4.30 3lc6A1 ASN 462 HB2 0.07 0.18 -0.03 -0.04 2.88 3.06 3lc6A1 ASN 462 HB3 -0.61 -0.06 0.12 -0.04 2.79 2.20 3lc6A1 ASN 462 HD21 -0.04 -0.09 -0.05 -0.04 7.03 6.81 3lc6A1 ASN 462 HD22 0.04 0.30 -0.05 -0.04 7.74 7.99 3lc6A1 PHE 463 H 0.27 0.10 -0.19 -0.55 8.34 7.97 3lc6A1 PHE 463 HA -0.26 0.23 0.66 -0.75 4.62 4.50 3lc6A1 PHE 463 HB2 0.07 0.02 -0.00 -0.04 3.15 3.20 3lc6A1 PHE 463 HB3 0.05 -0.04 -0.09 -0.04 3.06 2.94 3lc6A1 PHE 463 HD2 0.16 -0.07 -0.15 -0.04 7.28 7.17 3lc6A1 PHE 463 HE2 0.04 0.08 -0.12 -0.04 7.38 7.34 3lc6A1 PHE 463 HZ -0.39 0.01 -0.08 -0.04 7.32 6.82 3lc6A1 GLY 464 H 0.16 0.36 0.13 -0.55 8.43 8.54 3lc6A1 GLY 464 HA2 0.16 0.16 0.79 -0.51 4.01 4.61 3lc6A1 GLY 464 HA3 0.20 0.06 0.29 -0.51 4.01 4.05 3lc6A1 VAL 465 H -0.01 0.06 0.28 -0.55 8.24 8.02 3lc6A1 VAL 465 HA -0.19 0.88 1.02 -0.75 4.13 5.09 3lc6A1 VAL 465 HB -0.55 -0.03 -0.04 -0.04 2.12 1.47 3lc6A1 VAL 465 HG13 -0.96 0.03 0.10 -0.04 0.97 0.09 3lc6A1 VAL 465 HG23 -0.35 0.03 -0.31 -0.04 0.95 0.27 3lc6A1 THR 466 H -0.32 -0.06 0.27 -0.55 8.28 7.63 3lc6A1 THR 466 HA -0.01 0.28 0.85 -0.75 4.39 4.76 3lc6A1 THR 466 HB 0.05 -0.05 0.06 -0.04 4.32 4.34 3lc6A1 THR 466 HG23 -0.01 0.07 -0.19 -0.04 1.22 1.04 3lc6A1 ARG 467 H 0.08 0.19 0.10 -0.55 8.46 8.28 3lc6A1 ARG 467 HA 0.03 0.13 0.41 -0.75 4.34 4.15 3lc6A1 ARG 467 HB2 0.12 -0.04 0.13 -0.04 1.90 2.07 3lc6A1 ARG 467 HB3 0.10 0.04 -0.06 -0.04 1.80 1.84 3lc6A1 ARG 467 HG2 0.07 0.03 0.02 -0.04 1.67 1.75 3lc6A1 ARG 467 HG3 0.07 0.02 0.02 -0.04 1.67 1.74 3lc6A1 ARG 467 HD2 0.07 0.03 -0.01 -0.04 3.22 3.26 3lc6A1 ARG 467 HD3 0.07 -0.01 -0.01 -0.04 3.22 3.22 3lc6A1 HIS 468 H 0.35 0.04 -0.14 -0.55 8.41 8.12 3lc6A1 HIS 468 HA 0.03 0.12 0.54 -0.75 4.63 4.58 3lc6A1 HIS 468 HB2 0.02 0.04 0.05 -0.04 3.26 3.34 3lc6A1 HIS 468 HB3 0.03 -0.03 0.04 -0.04 3.20 3.20 3lc6A1 HIS 468 HD2 0.01 0.03 -0.15 -0.04 6.97 6.81 3lc6A1 HIS 468 HE1 0.00 0.02 -0.10 -0.04 7.75 7.63 3lc6A1 GLY 469 H -0.37 -0.09 -0.66 -0.55 8.43 6.77 3lc6A1 GLY 469 HA2 -0.41 0.03 0.32 -0.51 4.01 3.44 3lc6A1 GLY 469 HA3 -0.14 0.14 0.53 -0.51 4.01 4.04 3lc6A1 ARG 470 H -0.35 0.08 0.25 -0.55 8.46 7.89 3lc6A1 ARG 470 HA -0.14 0.11 0.56 -0.75 4.34 4.12 3lc6A1 ARG 470 HB2 -0.29 -0.13 -0.18 -0.04 1.90 1.25 3lc6A1 ARG 470 HB3 -0.11 0.17 -0.07 -0.04 1.80 1.74 3lc6A1 ARG 470 HG2 -0.12 0.17 0.04 -0.04 1.67 1.72 3lc6A1 ARG 470 HG3 -0.62 -0.15 -0.61 -0.04 1.67 0.24 3lc6A1 ARG 470 HD2 0.16 -0.03 -0.12 -0.04 3.22 3.20 3lc6A1 ARG 470 HD3 0.19 -0.06 -0.15 -0.04 3.22 3.16 3lc6A1 VAL 471 H -0.05 0.17 0.11 -0.55 8.24 7.93 3lc6A1 VAL 471 HA 0.01 0.58 1.04 -0.75 4.13 5.00 3lc6A1 VAL 471 HB 0.04 0.11 -0.03 -0.04 2.12 2.19 3lc6A1 VAL 471 HG13 0.13 0.00 -0.06 -0.04 0.97 1.00 3lc6A1 VAL 471 HG23 -0.04 -0.03 -0.23 -0.04 0.95 0.61 3lc6A1 VAL 472 H 0.15 0.21 0.11 -0.55 8.24 8.17 3lc6A1 VAL 472 HA 0.13 0.21 0.78 -0.75 4.13 4.50 3lc6A1 VAL 472 HB 0.14 -0.12 -0.07 -0.04 2.12 2.03 3lc6A1 VAL 472 HG13 0.11 0.04 -0.49 -0.04 0.97 0.59 3lc6A1 VAL 472 HG23 -0.07 0.07 -0.40 -0.04 0.95 0.50 3lc6A1 PHE 473 H 0.19 0.57 0.23 -0.55 8.34 8.78 3lc6A1 PHE 473 HA -0.89 -0.03 0.46 -0.75 4.62 3.41 3lc6A1 PHE 473 HB2 -0.42 0.07 0.19 -0.04 3.15 2.95 3lc6A1 PHE 473 HB3 -0.18 0.01 0.10 -0.04 3.06 2.95 3lc6A1 PHE 473 HD2 -1.42 -0.02 -0.13 -0.04 7.28 5.66 3lc6A1 PHE 473 HE2 -0.30 0.02 -0.03 -0.04 7.38 7.03 3lc6A1 PHE 473 HZ -0.23 0.25 0.10 -0.04 7.32 7.40 3lc6A1 TYR 474 H -1.35 0.31 0.32 -0.55 8.29 7.02 3lc6A1 TYR 474 HA -0.74 0.11 0.36 -0.75 4.56 3.53 3lc6A1 TYR 474 HB2 -0.31 -0.07 0.12 -0.04 3.06 2.77 3lc6A1 TYR 474 HB3 -0.15 0.15 -0.15 -0.04 2.98 2.79 3lc6A1 TYR 474 HD2 -0.23 -0.02 -0.38 -0.04 7.15 6.47 3lc6A1 TYR 474 HE2 -0.08 -0.10 -0.26 -0.04 6.85 6.38 3lc6A1 ASP 475 H -1.72 0.19 0.09 -0.55 8.40 6.41 3lc6A1 ASP 475 HA -0.45 0.06 0.65 -0.75 4.63 4.14 3lc6A1 ASP 475 HB2 -0.81 0.02 0.16 -0.04 2.71 2.04 3lc6A1 ASP 475 HB3 -0.76 0.13 0.28 -0.04 2.70 2.30 3lc6A1 TYR 476 H -0.46 0.17 0.03 -0.55 8.29 7.48 3lc6A1 TYR 476 HA -0.23 0.36 0.68 -0.75 4.56 4.61 3lc6A1 TYR 476 HB2 -1.16 -0.05 -0.13 -0.04 3.06 1.67 3lc6A1 TYR 476 HB3 -0.45 0.14 -0.17 -0.04 2.98 2.46 3lc6A1 TYR 476 HD2 -1.34 0.01 -0.31 -0.04 7.15 5.47 3lc6A1 TYR 476 HE2 -0.11 0.03 -0.22 -0.04 6.85 6.51 3lc6A1 ASP 477 H -0.05 0.00 -0.14 -0.55 8.40 7.67 3lc6A1 ASP 477 HA 0.08 0.29 1.06 -0.75 4.63 5.31 3lc6A1 ASP 477 HB2 0.04 -0.06 0.05 -0.04 2.71 2.71 3lc6A1 ASP 477 HB3 -0.03 -0.02 0.06 -0.04 2.70 2.67 3lc6A1 GLU 478 H -0.02 0.03 -0.00 -0.55 8.60 8.05 3lc6A1 GLU 478 HA -0.02 0.11 0.34 -0.75 4.29 3.96 3lc6A1 GLU 478 HB2 -0.01 0.05 0.26 -0.04 2.09 2.35 3lc6A1 GLU 478 HB3 -0.01 -0.10 0.37 -0.04 1.99 2.21 3lc6A1 GLU 478 HG2 -0.05 -0.01 -0.01 -0.04 2.34 2.23 3lc6A1 GLU 478 HG3 -0.04 -0.04 0.08 -0.04 2.34 2.29 3lc6A1 ILE 479 H 0.06 0.60 -0.89 -0.55 8.25 7.47 3lc6A1 ILE 479 HA 0.07 0.28 0.79 -0.75 4.18 4.57 3lc6A1 ILE 479 HB 0.05 -0.05 -0.22 -0.04 1.89 1.63 3lc6A1 ILE 479 HG12 0.22 0.07 -0.41 -0.04 1.49 1.34 3lc6A1 ILE 479 HG13 0.27 -0.04 -0.19 -0.04 1.21 1.20 3lc6A1 ILE 479 HG23 -0.04 0.00 -0.25 -0.04 0.93 0.60 3lc6A1 ILE 479 HD13 0.06 0.06 -0.23 -0.04 0.88 0.72 3lc6A1 CYS 480 H 0.10 0.45 0.16 -0.55 8.50 8.66 3lc6A1 CYS 480 HA -0.11 0.09 0.56 -0.75 4.58 4.36 3lc6A1 CYS 480 HB2 0.02 -0.03 0.07 -0.04 2.97 2.98 3lc6A1 CYS 480 HB3 0.05 0.05 -0.15 -0.04 2.97 2.88 3lc6A1 TYR 481 H -0.13 0.09 0.13 -0.55 8.29 7.82 3lc6A1 TYR 481 HA 0.07 0.40 0.68 -0.75 4.56 4.95 3lc6A1 TYR 481 HB2 0.04 -0.04 0.08 -0.04 3.06 3.10 3lc6A1 TYR 481 HB3 0.06 -0.05 0.12 -0.04 2.98 3.06 3lc6A1 TYR 481 HD2 0.05 0.12 0.06 -0.04 7.15 7.34 3lc6A1 TYR 481 HE2 0.11 0.03 0.02 -0.04 6.85 6.96 3lc6A1 MET 482 H 0.21 0.28 0.11 -0.55 8.47 8.51 3lc6A1 MET 482 HA 0.16 0.07 0.35 -0.75 4.52 4.34 3lc6A1 MET 482 HB2 0.12 0.03 0.13 -0.04 2.15 2.39 3lc6A1 MET 482 HB3 0.15 -0.05 0.04 -0.04 2.03 2.13 3lc6A1 MET 482 HG2 0.20 0.02 -0.10 -0.04 2.63 2.71 3lc6A1 MET 482 HG3 0.14 0.22 -0.01 -0.04 2.56 2.87 3lc6A1 MET 482 HE3 0.29 0.02 0.01 -0.04 2.10 2.37 3lc6A1 THR 483 H 0.12 0.06 -0.36 -0.55 8.28 7.55 3lc6A1 THR 483 HA 0.04 0.16 0.57 -0.75 4.39 4.41 3lc6A1 THR 483 HB 0.06 -0.01 -0.01 -0.04 4.32 4.32 3lc6A1 THR 483 HG23 0.02 0.01 0.08 -0.04 1.22 1.29 3lc6A1 GLU 484 H 0.04 0.44 -0.59 -0.55 8.60 7.96 3lc6A1 GLU 484 HA -0.00 0.16 0.84 -0.75 4.29 4.54 3lc6A1 GLU 484 HB2 0.04 0.25 0.04 -0.04 2.09 2.38 3lc6A1 GLU 484 HB3 0.00 -0.04 0.11 -0.04 1.99 2.02 3lc6A1 GLU 484 HG2 0.07 0.06 -0.07 -0.04 2.34 2.36 3lc6A1 GLU 484 HG3 0.17 -0.12 -0.09 -0.04 2.34 2.27 3lc6A1 VAL 485 H -0.15 0.30 -0.12 -0.55 8.24 7.73 3lc6A1 VAL 485 HA -0.26 0.32 0.88 -0.75 4.13 4.30 3lc6A1 VAL 485 HB -0.61 -0.06 -0.10 -0.04 2.12 1.30 3lc6A1 VAL 485 HG13 -0.25 0.03 -0.28 -0.04 0.97 0.43 3lc6A1 VAL 485 HG23 -1.40 0.01 -0.20 -0.04 0.95 -0.68 3lc6A1 ASN 486 H -0.34 0.24 0.22 -0.55 8.53 8.10 3lc6A1 ASN 486 HA -0.17 0.18 0.89 -0.75 4.76 4.91 3lc6A1 ASN 486 HB2 -0.15 0.08 0.10 -0.04 2.88 2.87 3lc6A1 ASN 486 HB3 -0.10 -0.05 -0.04 -0.04 2.79 2.56 3lc6A1 ASN 486 HD21 -0.04 0.00 -0.11 -0.04 7.03 6.84 3lc6A1 ASN 486 HD22 -0.09 0.04 -0.27 -0.04 7.74 7.39 3lc6A1 PHE 487 H 0.09 0.15 0.09 -0.55 8.34 8.11 3lc6A1 PHE 487 HA -0.13 0.35 0.48 -0.75 4.62 4.57 3lc6A1 PHE 487 HB2 0.01 -0.01 0.15 -0.04 3.15 3.25 3lc6A1 PHE 487 HB3 0.00 -0.04 0.17 -0.04 3.06 3.14 3lc6A1 PHE 487 HD2 -0.14 0.00 -0.13 -0.04 7.28 6.97 3lc6A1 PHE 487 HE2 -0.24 0.06 -0.07 -0.04 7.38 7.08 3lc6A1 PHE 487 HZ -0.41 0.02 -0.06 -0.04 7.32 6.83 3lc6A1 ARG 488 H 0.02 0.38 0.24 -0.55 8.46 8.55 3lc6A1 ARG 488 HA 0.16 0.03 0.74 -0.75 4.34 4.51 3lc6A1 ARG 488 HB2 0.10 0.10 -0.18 -0.04 1.90 1.88 3lc6A1 ARG 488 HB3 0.11 0.03 0.02 -0.04 1.80 1.92 3lc6A1 ARG 488 HG2 0.08 0.04 -0.01 -0.04 1.67 1.73 3lc6A1 ARG 488 HG3 0.10 -0.31 -0.03 -0.04 1.67 1.39 3lc6A1 ARG 488 HD2 0.08 0.08 0.06 -0.04 3.22 3.40 3lc6A1 ARG 488 HD3 0.06 0.00 0.04 -0.04 3.22 3.28 3lc6A1 ASP 489 H 0.14 0.10 0.15 -0.55 8.40 8.23 3lc6A1 ASP 489 HA -0.19 0.33 1.03 -0.75 4.63 5.04 3lc6A1 ASP 489 HB2 -0.53 0.10 0.18 -0.04 2.71 2.42 3lc6A1 ASP 489 HB3 0.18 -0.16 0.05 -0.04 2.70 2.73 3lc6A1 ILE 490 H 0.05 0.07 -0.22 -0.55 8.25 7.60 3lc6A1 ILE 490 HA -0.02 -0.01 0.10 -0.75 4.18 3.50 3lc6A1 ILE 490 HB 0.03 -0.06 0.08 -0.04 1.89 1.90 3lc6A1 ILE 490 HG12 -0.01 -0.01 -0.37 -0.04 1.49 1.05 3lc6A1 ILE 490 HG13 0.01 -0.01 -0.02 -0.04 1.21 1.14 3lc6A1 ILE 490 HG23 0.03 0.01 0.01 -0.04 0.93 0.94 3lc6A1 ILE 490 HD13 0.02 -0.00 -0.03 -0.04 0.88 0.82 3lc6A1 PRO 491 HA -0.03 0.03 -0.01 -0.51 4.44 3.93 3lc6A1 PRO 491 HB2 -0.10 0.06 0.06 -0.04 2.28 2.25 3lc6A1 PRO 491 HB3 -0.05 0.02 0.06 -0.04 2.02 2.02 3lc6A1 PRO 491 HG2 -0.09 0.06 0.03 -0.04 2.03 2.00 3lc6A1 PRO 491 HG3 -0.02 0.02 0.05 -0.04 2.03 2.04 3lc6A1 PRO 491 HD2 -0.24 0.20 -0.52 -0.04 3.68 3.07 3lc6A1 PRO 491 HD3 -0.03 0.01 -0.05 -0.04 3.65 3.55 3lc6A1 SER 509 HA -0.04 -0.06 0.18 -0.75 4.49 3.82 3lc6A1 SER 509 HB2 -0.01 -0.01 -0.00 -0.04 3.95 3.89 3lc6A1 SER 509 HB3 -0.00 -0.04 0.04 -0.04 3.93 3.88 3lc6A1 PRO 510 HA -0.06 0.06 0.84 -0.51 4.44 4.76 3lc6A1 PRO 510 HB2 -0.03 -0.06 -0.03 -0.04 2.28 2.12 3lc6A1 PRO 510 HB3 -0.03 -0.02 0.07 -0.04 2.02 2.01 3lc6A1 PRO 510 HG2 -0.03 0.02 -0.04 -0.04 2.03 1.94 3lc6A1 PRO 510 HG3 -0.02 -0.02 0.03 -0.04 2.03 1.98 3lc6A1 PRO 510 HD2 -0.03 0.15 0.16 -0.04 3.68 3.93 3lc6A1 PRO 510 HD3 -0.02 0.05 0.12 -0.04 3.65 3.76 3lc6A1 GLY 511 H -0.04 0.05 0.10 -0.55 8.43 7.98 3lc6A1 GLY 511 HA2 -0.08 -0.01 0.29 -0.51 4.01 3.70 3lc6A1 GLY 511 HA3 -0.07 0.07 0.27 -0.51 4.01 3.77 3lc6A1 ASP 512 H -0.18 0.27 0.11 -0.55 8.40 8.05 3lc6A1 ASP 512 HA -0.29 0.02 0.85 -0.75 4.63 4.45 3lc6A1 ASP 512 HB2 -0.27 0.17 -0.00 -0.04 2.71 2.58 3lc6A1 ASP 512 HB3 -0.40 -0.01 -0.01 -0.04 2.70 2.24 3lc6A1 VAL 513 H -0.46 0.65 0.25 -0.55 8.24 8.13 3lc6A1 VAL 513 HA -0.29 0.15 0.96 -0.75 4.13 4.19 3lc6A1 VAL 513 HB -0.84 -0.01 -0.12 -0.04 2.12 1.11 3lc6A1 VAL 513 HG13 0.28 -0.01 -0.25 -0.04 0.97 0.95 3lc6A1 VAL 513 HG23 -0.31 0.01 -0.30 -0.04 0.95 0.31 3lc6A1 PHE 514 H -0.18 0.21 0.07 -0.55 8.34 7.88 3lc6A1 PHE 514 HA -0.11 0.15 0.63 -0.75 4.62 4.54 3lc6A1 PHE 514 HB2 -0.19 0.02 0.21 -0.04 3.15 3.15 3lc6A1 PHE 514 HB3 -0.15 -0.14 0.11 -0.04 3.06 2.84 3lc6A1 PHE 514 HD2 -0.06 -0.09 -0.37 -0.04 7.28 6.72 3lc6A1 PHE 514 HE2 -0.03 0.10 0.13 -0.04 7.38 7.53 3lc6A1 PHE 514 HZ -0.03 -0.01 0.16 -0.04 7.32 7.40 3lc6A1 PRO 515 HA -0.36 0.10 0.27 -0.51 4.44 3.94 3lc6A1 PRO 515 HB2 -0.04 -0.13 -0.11 -0.04 2.28 1.96 3lc6A1 PRO 515 HB3 -0.41 0.22 -0.21 -0.04 2.02 1.58 3lc6A1 PRO 515 HG2 -0.07 0.04 -0.02 -0.04 2.03 1.94 3lc6A1 PRO 515 HG3 -0.31 0.09 -0.11 -0.04 2.03 1.66 3lc6A1 PRO 515 HD2 0.11 -0.04 0.00 -0.04 3.68 3.71 3lc6A1 PRO 515 HD3 0.11 0.38 -0.46 -0.04 3.65 3.64 3lc6A1 GLU 516 H -0.01 -0.01 -0.14 -0.55 8.60 7.89 3lc6A1 GLU 516 HA 0.24 0.28 0.81 -0.75 4.29 4.87 3lc6A1 GLU 516 HB2 0.26 0.03 0.04 -0.04 2.09 2.38 3lc6A1 GLU 516 HB3 0.06 -0.04 0.07 -0.04 1.99 2.04 3lc6A1 GLU 516 HG2 0.05 0.06 -0.07 -0.04 2.34 2.34 3lc6A1 GLU 516 HG3 0.05 -0.05 -0.27 -0.04 2.34 2.04 3lc6A1 GLU 517 H -0.14 0.17 -0.14 -0.55 8.60 7.94 3lc6A1 GLU 517 HA -0.03 0.04 0.38 -0.75 4.29 3.94 3lc6A1 GLU 517 HB2 -0.04 -0.03 0.17 -0.04 2.09 2.15 3lc6A1 GLU 517 HB3 -0.27 0.19 0.13 -0.04 1.99 1.99 3lc6A1 GLU 517 HG2 0.13 0.02 0.05 -0.04 2.34 2.50 3lc6A1 GLU 517 HG3 0.18 -0.06 0.03 -0.04 2.34 2.45 3lc6A1 PHE 518 H -0.22 0.22 -0.92 -0.55 8.34 6.87 3lc6A1 PHE 518 HA 0.21 -0.04 0.26 -0.75 4.62 4.29 3lc6A1 PHE 518 HB2 0.14 0.25 -0.00 -0.04 3.15 3.50 3lc6A1 PHE 518 HB3 0.14 -0.08 0.02 -0.04 3.06 3.10 3lc6A1 PHE 518 HD2 0.04 0.11 -0.00 -0.04 7.28 7.39 3lc6A1 PHE 518 HE2 -0.19 -0.01 -0.08 -0.04 7.38 7.06 3lc6A1 PHE 518 HZ 0.10 -0.01 -0.11 -0.04 7.32 7.25 3lc6A1 ARG 519 H 0.17 0.97 -0.25 -0.55 8.46 8.80 3lc6A1 ARG 519 HA 0.05 0.00 0.42 -0.75 4.34 4.05 3lc6A1 ARG 519 HB2 0.06 0.12 0.07 -0.04 1.90 2.11 3lc6A1 ARG 519 HB3 -0.01 -0.04 0.02 -0.04 1.80 1.73 3lc6A1 ARG 519 HG2 0.20 0.03 0.11 -0.04 1.67 1.98 3lc6A1 ARG 519 HG3 -0.03 -0.03 0.03 -0.04 1.67 1.60 3lc6A1 ARG 519 HD2 -0.00 -0.01 0.02 -0.04 3.22 3.19 3lc6A1 ARG 519 HD3 0.11 -0.05 -0.01 -0.04 3.22 3.22 3lc6A1 HIS 520 H 0.19 0.40 -0.29 -0.55 8.41 8.16 3lc6A1 HIS 520 HA -0.10 0.13 0.55 -0.75 4.63 4.45 3lc6A1 HIS 520 HB2 -0.10 0.06 0.12 -0.04 3.26 3.31 3lc6A1 HIS 520 HB3 -0.25 -0.06 0.14 -0.04 3.20 2.99 3lc6A1 HIS 520 HD2 -0.80 -0.02 -0.07 -0.04 6.97 6.03 3lc6A1 HIS 520 HE1 -0.14 -0.01 -0.02 -0.04 7.75 7.54 3lc6A1 TRP 521 H 0.41 0.18 0.02 -0.55 7.97 8.03 3lc6A1 TRP 521 HA -0.07 0.06 0.23 -0.75 4.62 4.08 3lc6A1 TRP 521 HB2 0.03 0.03 0.12 -0.04 3.23 3.37 3lc6A1 TRP 521 HB3 -0.14 -0.03 -0.05 -0.04 3.23 2.97 3lc6A1 TRP 521 HD1 -0.06 -0.02 0.03 -0.04 7.22 7.13 3lc6A1 TRP 521 HE1 0.02 0.01 -0.00 -0.04 10.20 10.18 3lc6A1 TRP 521 HE3 0.12 0.04 0.03 -0.04 7.59 7.74 3lc6A1 TRP 521 HZ2 0.04 0.01 -0.00 -0.04 7.44 7.44 3lc6A1 TRP 521 HZ3 0.05 0.03 0.00 -0.04 7.13 7.18 3lc6A1 TRP 521 HH2 0.03 0.02 0.00 -0.04 7.19 7.20 3lc6A1 LEU 522 H 0.08 0.34 -0.27 -0.55 8.37 7.98 3lc6A1 LEU 522 HA -0.48 0.04 0.30 -0.75 4.35 3.46 3lc6A1 LEU 522 HB2 -0.02 0.23 0.06 -0.04 1.64 1.87 3lc6A1 LEU 522 HB3 0.00 -0.00 -0.04 -0.04 1.64 1.56 3lc6A1 LEU 522 HG 0.38 0.04 -0.04 -0.04 1.64 1.98 3lc6A1 LEU 522 HD13 -0.65 -0.06 -0.17 -0.04 0.93 0.01 3lc6A1 LEU 522 HD23 0.13 0.03 -0.05 -0.04 0.89 0.95 3lc6A1 CYS 523 H -0.10 0.33 -0.22 -0.55 8.50 7.96 3lc6A1 CYS 523 HA -0.04 0.03 0.73 -0.75 4.58 4.54 3lc6A1 CYS 523 HB2 -0.10 0.36 0.12 -0.04 2.97 3.31 3lc6A1 CYS 523 HB3 -0.07 -0.08 0.14 -0.04 2.97 2.92 3lc6A1 ALA 524 H -0.01 0.19 -0.62 -0.55 8.40 7.41 3lc6A1 ALA 524 HA -0.11 0.08 0.27 -0.75 4.34 3.82 3lc6A1 ALA 524 HB3 -0.08 0.03 0.06 -0.04 1.41 1.39 3lc6A1 ASP 525 H 0.12 0.13 -0.18 -0.55 8.40 7.92 3lc6A1 ASP 525 HA 0.04 0.21 0.65 -0.75 4.63 4.78 3lc6A1 ASP 525 HB2 0.18 0.07 0.13 -0.04 2.71 3.04 3lc6A1 ASP 525 HB3 0.09 -0.24 0.14 -0.04 2.70 2.66 3lc6A1 PRO 526 HA 0.02 0.11 0.51 -0.51 4.44 4.57 3lc6A1 PRO 526 HB2 0.00 0.00 0.21 -0.04 2.28 2.46 3lc6A1 PRO 526 HB3 -0.01 0.05 0.13 -0.04 2.02 2.16 3lc6A1 PRO 526 HG2 -0.00 -0.00 0.08 -0.04 2.03 2.07 3lc6A1 PRO 526 HG3 -0.01 0.08 0.11 -0.04 2.03 2.16 3lc6A1 PRO 526 HD2 0.01 0.03 0.27 -0.04 3.68 3.94 3lc6A1 PRO 526 HD3 -0.00 0.81 0.44 -0.04 3.65 4.86 3lc6A1 ARG 527 H 0.04 -0.09 -0.91 -0.55 8.46 6.94 3lc6A1 ARG 527 HA 0.01 0.19 0.62 -0.75 4.34 4.41 3lc6A1 ARG 527 HB2 0.01 -0.01 -0.04 -0.04 1.90 1.82 3lc6A1 ARG 527 HB3 -0.00 0.01 0.05 -0.04 1.80 1.82 3lc6A1 ARG 527 HG2 -0.00 0.04 0.05 -0.04 1.67 1.72 3lc6A1 ARG 527 HG3 0.01 -0.03 -0.19 -0.04 1.67 1.41 3lc6A1 ARG 527 HD2 -0.01 -0.01 0.02 -0.04 3.22 3.17 3lc6A1 ARG 527 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.16 3lc6A1 ILE 528 H 0.07 0.25 0.09 -0.55 8.25 8.10 3lc6A1 ILE 528 HA 0.06 0.24 1.09 -0.75 4.18 4.81 3lc6A1 ILE 528 HB 0.03 0.02 0.05 -0.04 1.89 1.94 3lc6A1 ILE 528 HG12 0.12 -0.11 0.15 -0.04 1.49 1.61 3lc6A1 ILE 528 HG13 0.22 0.13 -0.10 -0.04 1.21 1.42 3lc6A1 ILE 528 HG23 -0.02 0.00 -0.17 -0.04 0.93 0.70 3lc6A1 ILE 528 HD13 -0.02 0.01 -0.01 -0.04 0.88 0.82 3lc6A1 GLY 529 H 0.12 0.58 0.30 -0.55 8.43 8.88 3lc6A1 GLY 529 HA2 0.23 0.07 0.52 -0.51 4.01 4.32 3lc6A1 GLY 529 HA3 0.07 0.21 0.39 -0.51 4.01 4.17 3lc6A1 PRO 530 HA 0.06 0.09 0.53 -0.51 4.44 4.61 3lc6A1 PRO 530 HB2 0.04 0.02 -0.11 -0.04 2.28 2.19 3lc6A1 PRO 530 HB3 0.03 0.05 -0.00 -0.04 2.02 2.06 3lc6A1 PRO 530 HG2 0.03 0.06 -0.23 -0.04 2.03 1.86 3lc6A1 PRO 530 HG3 0.02 0.09 -0.00 -0.04 2.03 2.10 3lc6A1 PRO 530 HD2 0.06 0.02 0.15 -0.04 3.68 3.87 3lc6A1 PRO 530 HD3 0.03 0.22 -0.01 -0.04 3.65 3.84 3lc6A1 LEU 531 H 0.09 0.19 -0.45 -0.55 8.37 7.65 3lc6A1 LEU 531 HA 0.04 -0.01 0.29 -0.75 4.35 3.92 3lc6A1 LEU 531 HB2 0.03 0.01 0.04 -0.04 1.64 1.68 3lc6A1 LEU 531 HB3 0.05 0.22 0.04 -0.04 1.64 1.91 3lc6A1 LEU 531 HG -0.03 -0.05 0.05 -0.04 1.64 1.57 3lc6A1 LEU 531 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.88 3lc6A1 LEU 531 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.79 3lc6A1 PHE 532 H 0.33 0.28 -0.58 -0.55 8.34 7.82 3lc6A1 PHE 532 HA 0.14 -0.01 0.48 -0.75 4.62 4.48 3lc6A1 PHE 532 HB2 0.11 0.46 0.22 -0.04 3.15 3.91 3lc6A1 PHE 532 HB3 0.15 -0.03 -0.09 -0.04 3.06 3.05 3lc6A1 PHE 532 HD2 0.21 0.08 -0.02 -0.04 7.28 7.51 3lc6A1 PHE 532 HE2 0.24 0.00 -0.05 -0.04 7.38 7.53 3lc6A1 PHE 532 HZ 0.72 0.01 -0.05 -0.04 7.32 7.96 3lc6A1 GLU 533 H 0.18 0.48 -0.14 -0.55 8.60 8.57 3lc6A1 GLU 533 HA 0.14 -0.01 0.27 -0.75 4.29 3.94 3lc6A1 GLU 533 HB2 0.06 0.11 0.12 -0.04 2.09 2.34 3lc6A1 GLU 533 HB3 0.06 -0.04 -0.01 -0.04 1.99 1.96 3lc6A1 GLU 533 HG2 0.10 -0.01 0.08 -0.04 2.34 2.47 3lc6A1 GLU 533 HG3 0.04 0.02 0.09 -0.04 2.34 2.45 3lc6A1 GLU 534 H 0.03 0.16 -0.35 -0.55 8.60 7.89 3lc6A1 GLU 534 HA -0.01 -0.01 0.15 -0.75 4.29 3.66 3lc6A1 GLU 534 HB2 -0.01 -0.05 0.13 -0.04 2.09 2.12 3lc6A1 GLU 534 HB3 -0.05 0.06 0.04 -0.04 1.99 1.99 3lc6A1 GLU 534 HG2 -0.02 0.01 0.07 -0.04 2.34 2.35 3lc6A1 GLU 534 HG3 -0.01 -0.04 0.02 -0.04 2.34 2.28 3lc6A1 MET 535 H -0.15 0.21 -0.43 -0.55 8.47 7.55 3lc6A1 MET 535 HA -0.17 0.24 1.17 -0.75 4.52 5.01 3lc6A1 MET 535 HB2 -0.43 0.01 0.02 -0.04 2.15 1.71 3lc6A1 MET 535 HB3 -0.79 -0.05 0.01 -0.04 2.03 1.16 3lc6A1 MET 535 HG2 -0.14 0.04 -0.18 -0.04 2.63 2.30 3lc6A1 MET 535 HG3 -0.17 -0.08 -0.00 -0.04 2.56 2.27 3lc6A1 MET 535 HE3 -0.14 -0.02 0.09 -0.04 2.10 1.99 3lc6A1 HIS 536 H -0.07 1.01 0.14 -0.55 8.41 8.95 3lc6A1 HIS 536 HA -0.03 0.16 1.03 -0.75 4.63 5.04 3lc6A1 HIS 536 HB2 0.12 0.06 0.19 -0.04 3.26 3.59 3lc6A1 HIS 536 HB3 0.05 -0.14 0.16 -0.04 3.20 3.22 3lc6A1 HIS 536 HD2 -0.68 0.02 0.00 -0.04 6.97 6.27 3lc6A1 HIS 536 HE1 -0.12 0.08 0.09 -0.04 7.75 7.76 3lc6A1 ALA 537 H 0.07 0.30 -0.07 -0.55 8.40 8.15 3lc6A1 ALA 537 HA 0.27 0.09 0.39 -0.75 4.34 4.34 3lc6A1 ALA 537 HB3 0.11 0.05 0.09 -0.04 1.41 1.61 3lc6A1 ASP 538 H 0.00 -0.00 -0.46 -0.55 8.40 7.39 3lc6A1 ASP 538 HA -0.27 0.18 0.99 -0.75 4.63 4.78 3lc6A1 ASP 538 HB2 -0.32 -0.00 0.05 -0.04 2.71 2.40 3lc6A1 ASP 538 HB3 -0.12 0.05 -0.07 -0.04 2.70 2.52 3lc6A1 LEU 539 H -0.04 0.09 -0.03 -0.55 8.37 7.84 3lc6A1 LEU 539 HA -0.10 0.15 0.48 -0.75 4.35 4.12 3lc6A1 LEU 539 HB2 0.16 0.01 0.08 -0.04 1.64 1.85 3lc6A1 LEU 539 HB3 0.33 0.06 -0.03 -0.04 1.64 1.97 3lc6A1 LEU 539 HG -0.40 -0.08 -0.01 -0.04 1.64 1.11 3lc6A1 LEU 539 HD13 -0.33 0.02 -0.00 -0.04 0.93 0.58 3lc6A1 LEU 539 HD23 -0.35 0.03 -0.07 -0.04 0.89 0.45 3lc6A1 PHE 540 H 0.38 0.10 -0.27 -0.55 8.34 7.99 3lc6A1 PHE 540 HA 0.28 0.17 0.49 -0.75 4.62 4.81 3lc6A1 PHE 540 HB2 0.13 -0.02 0.03 -0.04 3.15 3.25 3lc6A1 PHE 540 HB3 0.17 0.03 0.01 -0.04 3.06 3.23 3lc6A1 PHE 540 HD2 0.10 -0.03 -0.27 -0.04 7.28 7.04 3lc6A1 PHE 540 HE2 0.06 0.07 0.01 -0.04 7.38 7.48 3lc6A1 PHE 540 HZ 0.05 -0.02 0.00 -0.04 7.32 7.31 3lc6A1 ARG 541 H -0.62 0.11 -0.52 -0.55 8.46 6.88 3lc6A1 ARG 541 HA -0.28 0.01 0.41 -0.75 4.34 3.72 3lc6A1 ARG 541 HB2 -0.94 0.02 0.05 -0.04 1.90 0.99 3lc6A1 ARG 541 HB3 -0.86 0.08 0.15 -0.04 1.80 1.12 3lc6A1 ARG 541 HG2 -0.13 0.05 0.01 -0.04 1.67 1.56 3lc6A1 ARG 541 HG3 -0.04 -0.25 -0.46 -0.04 1.67 0.87 3lc6A1 ARG 541 HD2 -0.10 0.06 0.03 -0.04 3.22 3.18 3lc6A1 ARG 541 HD3 -0.05 0.07 0.02 -0.04 3.22 3.22 3lc6A1 ALA 542 H 0.03 0.10 0.16 -0.55 8.40 8.14 3lc6A1 ALA 542 HA 0.10 0.15 0.29 -0.75 4.34 4.13 3lc6A1 ALA 542 HB3 0.09 0.05 0.15 -0.04 1.41 1.66 3lc6A1 ASP 543 H 0.07 0.09 -0.07 -0.55 8.40 7.94 3lc6A1 ASP 543 HA 0.07 0.08 0.33 -0.75 4.63 4.36 3lc6A1 ASP 543 HB2 0.04 -0.03 0.12 -0.04 2.71 2.80 3lc6A1 ASP 543 HB3 0.04 0.06 -0.02 -0.04 2.70 2.74 3lc6A1 TYR 544 H 0.21 0.20 -0.30 -0.55 8.29 7.85 3lc6A1 TYR 544 HA -0.09 0.01 0.30 -0.75 4.56 4.03 3lc6A1 TYR 544 HB2 -0.11 -0.06 0.06 -0.04 3.06 2.91 3lc6A1 TYR 544 HB3 -0.07 0.29 0.07 -0.04 2.98 3.23 3lc6A1 TYR 544 HD2 -0.72 0.04 -0.16 -0.04 7.15 6.27 3lc6A1 TYR 544 HE2 -0.85 0.04 -0.03 -0.04 6.85 5.97 3lc6A1 TRP 545 H 0.26 0.50 -0.35 -0.55 7.97 7.83 3lc6A1 TRP 545 HA -0.45 0.15 0.82 -0.75 4.62 4.37 3lc6A1 TRP 545 HB2 -1.22 0.07 0.06 -0.04 3.23 2.10 3lc6A1 TRP 545 HB3 -1.69 0.01 0.07 -0.04 3.23 1.57 3lc6A1 TRP 545 HD1 0.01 0.02 0.01 -0.04 7.22 7.22 3lc6A1 TRP 545 HE1 0.10 0.22 -0.08 -0.04 10.20 10.39 3lc6A1 TRP 545 HE3 0.11 -0.02 0.01 -0.04 7.59 7.65 3lc6A1 TRP 545 HZ2 0.14 0.05 0.04 -0.04 7.44 7.63 3lc6A1 TRP 545 HZ3 0.40 0.01 0.03 -0.04 7.13 7.53 3lc6A1 TRP 545 HH2 -0.01 -0.03 0.01 -0.04 7.19 7.12 3lc6A1 ARG 546 H -0.01 0.34 0.10 -0.55 8.46 8.33 3lc6A1 ARG 546 HA 0.08 0.11 0.73 -0.75 4.34 4.51 3lc6A1 ARG 546 HB2 0.02 0.18 0.21 -0.04 1.90 2.27 3lc6A1 ARG 546 HB3 0.03 -0.02 0.02 -0.04 1.80 1.79 3lc6A1 ARG 546 HG2 0.10 -0.01 0.09 -0.04 1.67 1.81 3lc6A1 ARG 546 HG3 0.17 -0.02 0.12 -0.04 1.67 1.90 3lc6A1 ARG 546 HD2 0.09 0.07 0.07 -0.04 3.22 3.40 3lc6A1 ARG 546 HD3 0.06 -0.03 0.07 -0.04 3.22 3.27 3lc6A1 ALA 547 H -0.12 0.25 -0.24 -0.55 8.40 7.74 3lc6A1 ALA 547 HA -0.09 0.03 0.35 -0.75 4.34 3.87 3lc6A1 ALA 547 HB3 -0.24 0.09 0.09 -0.04 1.41 1.30 3lc6A1 LEU 548 H -0.37 0.29 -0.16 -0.55 8.37 7.58 3lc6A1 LEU 548 HA -0.18 0.02 0.20 -0.75 4.35 3.63 3lc6A1 LEU 548 HB2 -0.22 0.06 0.02 -0.04 1.64 1.47 3lc6A1 LEU 548 HB3 -0.20 0.06 -0.08 -0.04 1.64 1.38 3lc6A1 LEU 548 HG -0.85 0.05 0.16 -0.04 1.64 0.97 3lc6A1 LEU 548 HD13 -0.75 -0.01 0.08 -0.04 0.93 0.20 3lc6A1 LEU 548 HD23 -0.39 -0.01 0.04 -0.04 0.89 0.49 3lc6A1 GLN 549 H -0.03 0.35 -0.21 -0.55 8.47 8.03 3lc6A1 GLN 549 HA 0.05 0.08 0.41 -0.75 4.36 4.14 3lc6A1 GLN 549 HB2 0.13 0.01 -0.03 -0.04 2.15 2.21 3lc6A1 GLN 549 HB3 0.18 0.16 0.20 -0.04 2.02 2.52 3lc6A1 GLN 549 HG2 0.07 -0.01 0.07 -0.04 2.40 2.50 3lc6A1 GLN 549 HG3 0.06 -0.06 -0.45 -0.04 2.39 1.90 3lc6A1 GLN 549 HE21 0.05 0.21 0.21 -0.04 6.97 7.40 3lc6A1 GLN 549 HE22 0.13 0.25 0.10 -0.04 7.69 8.13 3lc6A1 ASN 550 H -0.01 0.57 -0.25 -0.55 8.53 8.30 3lc6A1 ASN 550 HA 0.01 -0.01 0.40 -0.75 4.76 4.41 3lc6A1 ASN 550 HB2 -0.02 0.86 0.27 -0.04 2.88 3.95 3lc6A1 ASN 550 HB3 -0.03 -0.06 -0.04 -0.04 2.79 2.62 3lc6A1 ASN 550 HD21 0.00 -0.05 0.01 -0.04 7.03 6.95 3lc6A1 ASN 550 HD22 -0.01 -0.01 -0.02 -0.04 7.74 7.67 3lc6A1 ARG 551 H -0.05 0.47 -0.19 -0.55 8.46 8.14 3lc6A1 ARG 551 HA -0.03 0.02 0.70 -0.75 4.34 4.28 3lc6A1 ARG 551 HB2 -0.09 0.00 0.07 -0.04 1.90 1.84 3lc6A1 ARG 551 HB3 -0.07 0.09 0.05 -0.04 1.80 1.83 3lc6A1 ARG 551 HG2 -0.12 -0.00 -0.02 -0.04 1.67 1.49 3lc6A1 ARG 551 HG3 -0.14 -0.06 0.14 -0.04 1.67 1.57 3lc6A1 ARG 551 HD2 -0.15 -0.01 0.00 -0.04 3.22 3.02 3lc6A1 ARG 551 HD3 -0.16 -0.00 -0.02 -0.04 3.22 2.99 3lc6A1 ILE 552 H -0.00 0.34 -0.21 -0.55 8.25 7.83 3lc6A1 ILE 552 HA 0.03 0.48 0.82 -0.75 4.18 4.76 3lc6A1 ILE 552 HB 0.02 0.17 0.23 -0.04 1.89 2.27 3lc6A1 ILE 552 HG12 0.00 0.01 0.17 -0.04 1.49 1.63 3lc6A1 ILE 552 HG13 -0.00 -0.01 0.15 -0.04 1.21 1.31 3lc6A1 ILE 552 HG23 0.01 -0.06 -0.09 -0.04 0.93 0.75 3lc6A1 ILE 552 HD13 0.03 -0.00 -0.00 -0.04 0.88 0.87 3lc6A1 ARG 553 H 0.02 0.26 -0.39 -0.55 8.46 7.80 3lc6A1 ARG 553 HA 0.03 0.13 0.70 -0.75 4.34 4.44 3lc6A1 ARG 553 HB2 0.02 0.07 0.08 -0.04 1.90 2.02 3lc6A1 ARG 553 HB3 0.01 -0.06 0.15 -0.04 1.80 1.86 3lc6A1 ARG 553 HG2 0.02 -0.06 -0.14 -0.04 1.67 1.44 3lc6A1 ARG 553 HG3 0.02 0.56 0.18 -0.04 1.67 2.39 3lc6A1 ARG 553 HD2 0.02 -0.05 0.02 -0.04 3.22 3.16 3lc6A1 ARG 553 HD3 0.02 -0.07 -0.02 -0.04 3.22 3.12 3lc6A1 GLU 554 H 0.04 0.21 -0.32 -0.55 8.60 7.99 3lc6A1 GLU 554 HA 0.03 0.15 0.79 -0.75 4.29 4.50 3lc6A1 GLU 554 HB2 0.01 0.08 0.17 -0.04 2.09 2.30 3lc6A1 GLU 554 HB3 0.03 -0.03 0.05 -0.04 1.99 2.00 3lc6A1 GLU 554 HG2 -0.00 -0.04 0.08 -0.04 2.34 2.34 3lc6A1 GLU 554 HG3 0.01 0.01 0.14 -0.04 2.34 2.45 3lc6A1 GLY 555 H 0.08 0.20 -0.48 -0.55 8.43 7.67 3lc6A1 GLY 555 HA2 0.23 0.02 0.24 -0.51 4.01 3.99 3lc6A1 GLY 555 HA3 0.11 0.12 0.73 -0.51 4.01 4.46 3lc6A1 HIS 556 H 0.11 0.07 -0.19 -0.55 8.41 7.86 3lc6A1 HIS 556 HA -0.07 0.03 0.52 -0.75 4.63 4.36 3lc6A1 HIS 556 HB2 -0.04 -0.05 -0.04 -0.04 3.26 3.09 3lc6A1 HIS 556 HB3 -0.04 0.33 0.19 -0.04 3.20 3.63 3lc6A1 HIS 556 HD2 -0.08 0.02 -0.31 -0.04 6.97 6.55 3lc6A1 HIS 556 HE1 -0.08 -0.02 -0.02 -0.04 7.75 7.59 3lc6A1 VAL 557 H -0.35 0.18 0.09 -0.55 8.24 7.60 3lc6A1 VAL 557 HA -0.05 0.14 0.39 -0.75 4.13 3.86 3lc6A1 VAL 557 HB -0.08 -0.02 -0.04 -0.04 2.12 1.95 3lc6A1 VAL 557 HG13 -0.14 -0.01 -0.10 -0.04 0.97 0.67 3lc6A1 VAL 557 HG23 -0.04 -0.04 0.03 -0.04 0.95 0.86 3lc6A1 GLU 558 H -0.07 0.14 -0.02 -0.55 8.60 8.11 3lc6A1 GLU 558 HA -0.26 -0.04 0.47 -0.75 4.29 3.70 3lc6A1 GLU 558 HB2 -0.09 -0.00 0.12 -0.04 2.09 2.07 3lc6A1 GLU 558 HB3 -0.14 0.10 0.02 -0.04 1.99 1.92 3lc6A1 GLU 558 HG2 0.13 -0.02 0.05 -0.04 2.34 2.47 3lc6A1 GLU 558 HG3 0.11 0.01 0.05 -0.04 2.34 2.47 3lc6A1 ASP 559 H -0.29 0.03 0.26 -0.55 8.40 7.85 3lc6A1 ASP 559 HA -0.16 0.18 0.76 -0.75 4.63 4.66 3lc6A1 ASP 559 HB2 -0.25 -0.01 0.15 -0.04 2.71 2.55 3lc6A1 ASP 559 HB3 -0.14 -0.11 0.21 -0.04 2.70 2.62 3lc6A1 VAL 560 H -0.10 0.07 0.15 -0.55 8.24 7.81 3lc6A1 VAL 560 HA -0.18 0.12 0.49 -0.75 4.13 3.80 3lc6A1 VAL 560 HB -0.09 0.08 0.07 -0.04 2.12 2.14 3lc6A1 VAL 560 HG13 -0.07 -0.04 0.06 -0.04 0.97 0.88 3lc6A1 VAL 560 HG23 -0.06 -0.01 -0.22 -0.04 0.95 0.62 3lc6A1 TYR 561 H -0.12 0.19 0.19 -0.55 8.29 8.00 3lc6A1 TYR 561 HA -0.23 0.13 0.77 -0.75 4.56 4.47 3lc6A1 TYR 561 HB2 -0.14 0.07 0.14 -0.04 3.06 3.09 3lc6A1 TYR 561 HB3 -0.57 -0.09 -0.04 -0.04 2.98 2.24 3lc6A1 TYR 561 HD2 0.03 0.02 -0.15 -0.04 7.15 7.01 3lc6A1 TYR 561 HE2 0.08 0.01 -0.03 -0.04 6.85 6.87 3lc6A1 ALA 562 H -0.35 0.16 0.04 -0.55 8.40 7.70 3lc6A1 ALA 562 HA -0.04 0.22 0.50 -0.75 4.34 4.27 3lc6A1 ALA 562 HB3 0.23 0.01 0.07 -0.04 1.41 1.68 3lc6A1 TYR 563 H -0.36 0.19 -0.68 -0.55 8.29 6.90 3lc6A1 TYR 563 HA 0.06 0.15 0.53 -0.75 4.56 4.55 3lc6A1 TYR 563 HB2 -0.00 -0.01 0.05 -0.04 3.06 3.05 3lc6A1 TYR 563 HB3 0.03 0.08 0.03 -0.04 2.98 3.07 3lc6A1 TYR 563 HD2 0.04 0.08 -0.31 -0.04 7.15 6.91 3lc6A1 TYR 563 HE2 -0.35 0.03 -0.09 -0.04 6.85 6.39 3lc6A1 ARG 564 H 0.18 0.14 0.12 -0.55 8.46 8.35 3lc6A1 ARG 564 HA 0.12 0.19 0.72 -0.75 4.34 4.61 3lc6A1 ARG 564 HB2 0.08 0.05 0.18 -0.04 1.90 2.18 3lc6A1 ARG 564 HB3 0.07 -0.19 0.04 -0.04 1.80 1.69 3lc6A1 ARG 564 HG2 0.07 0.08 0.04 -0.04 1.67 1.82 3lc6A1 ARG 564 HG3 0.06 0.06 0.04 -0.04 1.67 1.79 3lc6A1 ARG 564 HD2 0.05 -0.04 0.02 -0.04 3.22 3.20 3lc6A1 ARG 564 HD3 0.06 -0.04 0.10 -0.04 3.22 3.30 3lc6A1 ARG 565 H 0.12 0.26 0.18 -0.55 8.46 8.47 3lc6A1 ARG 565 HA 0.26 0.05 0.33 -0.75 4.34 4.22 3lc6A1 ARG 565 HB2 0.08 -0.00 0.11 -0.04 1.90 2.06 3lc6A1 ARG 565 HB3 0.11 0.04 0.07 -0.04 1.80 1.98 3lc6A1 ARG 565 HG2 0.26 -0.01 0.07 -0.04 1.67 1.95 3lc6A1 ARG 565 HG3 0.17 0.03 0.09 -0.04 1.67 1.91 3lc6A1 ARG 565 HD2 0.00 0.03 0.05 -0.04 3.22 3.26 3lc6A1 ARG 565 HD3 0.03 0.00 0.03 -0.04 3.22 3.25 3lc6A1 ARG 566 H 0.08 -0.12 -0.93 -0.55 8.46 6.93 3lc6A1 ARG 566 HA 0.03 0.19 0.72 -0.75 4.34 4.53 3lc6A1 ARG 566 HB2 0.04 -0.10 0.00 -0.04 1.90 1.80 3lc6A1 ARG 566 HB3 0.02 0.07 -0.07 -0.04 1.80 1.77 3lc6A1 ARG 566 HG2 0.03 -0.04 -0.09 -0.04 1.67 1.53 3lc6A1 ARG 566 HG3 0.02 0.00 -0.02 -0.04 1.67 1.64 3lc6A1 ARG 566 HD2 0.02 0.06 0.09 -0.04 3.22 3.35 3lc6A1 ARG 566 HD3 0.02 -0.00 -0.00 -0.04 3.22 3.19 3lc6A1 GLN 567 H 0.03 0.40 0.05 -0.55 8.47 8.40 3lc6A1 GLN 567 HA -0.07 0.12 0.52 -0.75 4.36 4.18 3lc6A1 GLN 567 HB2 -0.04 -0.11 0.13 -0.04 2.15 2.09 3lc6A1 GLN 567 HB3 -0.17 -0.02 0.04 -0.04 2.02 1.83 3lc6A1 GLN 567 HG2 -0.37 0.02 -0.11 -0.04 2.40 1.89 3lc6A1 GLN 567 HG3 -0.17 0.06 0.07 -0.04 2.39 2.31 3lc6A1 GLN 567 HE21 -0.07 -0.07 0.03 -0.04 6.97 6.82 3lc6A1 GLN 567 HE22 -0.11 0.07 0.02 -0.04 7.69 7.63 3lc6A1 ARG 568 H -0.04 0.10 -0.30 -0.55 8.46 7.66 3lc6A1 ARG 568 HA -0.39 -0.02 0.12 -0.75 4.34 3.29 3lc6A1 ARG 568 HB2 -0.10 -0.08 0.05 -0.04 1.90 1.72 3lc6A1 ARG 568 HB3 -0.03 0.04 0.01 -0.04 1.80 1.77 3lc6A1 ARG 568 HG2 0.04 0.31 -0.13 -0.04 1.67 1.84 3lc6A1 ARG 568 HG3 0.01 -0.40 -0.22 -0.04 1.67 1.02 3lc6A1 ARG 568 HD2 0.09 -0.06 -0.03 -0.04 3.22 3.17 3lc6A1 ARG 568 HD3 0.18 -0.01 0.01 -0.04 3.22 3.36 3lc6A1 PHE 569 H -0.30 0.06 0.11 -0.55 8.34 7.66 3lc6A1 PHE 569 HA -0.21 0.19 0.53 -0.75 4.62 4.38 3lc6A1 PHE 569 HB2 -0.25 -0.07 0.11 -0.04 3.15 2.90 3lc6A1 PHE 569 HB3 -0.39 0.05 -0.06 -0.04 3.06 2.62 3lc6A1 PHE 569 HD2 -0.30 0.10 0.09 -0.04 7.28 7.13 3lc6A1 PHE 569 HE2 -0.17 0.08 -0.01 -0.04 7.38 7.23 3lc6A1 PHE 569 HZ -0.12 0.02 -0.14 -0.04 7.32 7.03 3lc6A1 SER 570 H 0.01 -0.02 -0.22 -0.55 8.46 7.69 3lc6A1 SER 570 HA -0.01 0.06 0.26 -0.75 4.49 4.04 3lc6A1 SER 570 HB2 0.01 -0.06 0.05 -0.04 3.95 3.92 3lc6A1 SER 570 HB3 0.04 0.02 -0.05 -0.04 3.93 3.90 3lc6A1 VAL 571 H 0.02 0.09 -0.46 -0.55 8.24 7.34 3lc6A1 VAL 571 HA 0.02 0.18 0.65 -0.75 4.13 4.22 3lc6A1 VAL 571 HB 0.03 -0.05 -0.06 -0.04 2.12 1.99 3lc6A1 VAL 571 HG13 0.03 0.02 -0.00 -0.04 0.97 0.98 3lc6A1 VAL 571 HG23 0.02 -0.01 0.02 -0.04 0.95 0.95