============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 99 rings ring int. center anis. iso. PHE 13 1.000 -49.655 23.289 -29.091 -99.200 -91.000 TYR 17 0.840 -55.498 23.718 -31.287 -99.200 -91.000 PHE 20 1.000 -58.211 19.811 -32.609 -99.200 -91.000 PHE 31 1.000 -75.234 19.972 -40.733 -99.200 -91.000 TRP 36 1.040 -75.081 12.157 -43.429 -99.200 -91.000 TRP6 36 1.020 -74.810 14.300 -42.464 -99.200 -91.000 HIS 37 0.900 -70.600 6.396 -45.395 -99.200 -91.000 HIS 48 0.900 -55.243 7.106 -37.843 -99.200 -91.000 TYR 50 0.840 -51.179 15.013 -29.366 -99.200 -91.000 HIS 52 0.900 -47.679 12.912 -39.582 -99.200 -91.000 HIS 53 0.900 -48.442 17.490 -36.899 -99.200 -91.000 PHE 68 1.000 -29.870 17.062 -23.356 -99.200 -91.000 HIS 75 0.900 -32.610 26.545 -22.585 -99.200 -91.000 TYR 76 0.840 -42.121 23.064 -24.713 -99.200 -91.000 TYR 83 0.840 -47.325 28.661 -28.215 -99.200 -91.000 PHE 86 1.000 -50.924 28.414 -20.005 -99.200 -91.000 PHE 92 1.000 -46.364 18.112 -30.058 -99.200 -91.000 PHE 93 1.000 -41.078 19.132 -22.466 -99.200 -91.000 TYR 97 0.840 -39.687 12.659 -20.002 -99.200 -91.000 PHE 101 1.000 -36.660 10.371 -21.192 -99.200 -91.000 HIS 103 0.900 -45.820 6.380 -23.029 -99.200 -91.000 PHE 112 1.000 -43.539 21.618 -19.111 -99.200 -91.000 PHE 114 1.000 -48.946 17.936 -10.151 -99.200 -91.000 PHE 122 1.000 -55.292 33.582 -17.409 -99.200 -91.000 PHE 133 1.000 -77.324 37.102 -30.823 -99.200 -91.000 HIS 134 0.900 -79.110 42.118 -23.563 -99.200 -91.000 HIS 137 0.900 -89.108 47.723 -30.242 -99.200 -91.000 TRP 139 1.040 -87.477 36.762 -25.447 -99.200 -91.000 TRP6 139 1.020 -85.525 35.432 -25.592 -99.200 -91.000 HIS 155 0.900 -82.158 27.924 -50.551 -99.200 -91.000 TRP 156 1.040 -82.175 28.054 -42.206 -99.200 -91.000 TRP6 156 1.020 -81.977 27.114 -40.047 -99.200 -91.000 HIS 164 0.900 -95.512 28.702 -32.607 -99.200 -91.000 TYR 165 0.840 -92.242 23.362 -34.023 -99.200 -91.000 HIS 169 0.900 -87.919 24.266 -24.198 -99.200 -91.000 HIS 183 0.900 -78.752 38.648 -21.450 -99.200 -91.000 PHE 191 1.000 -69.687 23.710 -29.105 -99.200 -91.000 TYR 192 0.840 -70.572 22.024 -37.872 -99.200 -91.000 TRP 198 1.040 -75.696 19.224 -31.197 -99.200 -91.000 TRP6 198 1.020 -77.454 19.302 -29.620 -99.200 -91.000 PHE 212 1.000 -81.610 29.011 -26.889 -99.200 -91.000 HIS 217 0.900 -80.675 16.584 -35.944 -99.200 -91.000 PHE 225 1.000 -85.511 18.734 -39.122 -99.200 -91.000 PHE 240 1.000 -71.497 20.170 -24.738 -99.200 -91.000 PHE 242 1.000 -69.639 7.710 -19.978 -99.200 -91.000 TYR 246 0.840 -63.242 12.296 -27.888 -99.200 -91.000 PHE 247 1.000 -70.781 18.493 -29.331 -99.200 -91.000 TYR 250 0.840 -61.491 27.468 -36.480 -99.200 -91.000 TRP 260 1.040 -69.256 30.926 -23.252 -99.200 -91.000 TRP6 260 1.020 -70.666 29.395 -24.370 -99.200 -91.000 TYR 274 0.840 -58.668 21.641 -22.072 -99.200 -91.000 HIS 282 0.900 -54.283 20.016 -22.027 -99.200 -91.000 TYR 288 0.840 -50.537 10.716 -13.854 -99.200 -91.000 TYR 291 0.840 -54.315 7.993 -10.295 -99.200 -91.000 TYR 294 0.840 -60.704 9.810 -5.185 -99.200 -91.000 PHE 302 1.000 -55.476 2.242 -7.187 -99.200 -91.000 PHE 316 1.000 -56.367 -1.616 -11.032 -99.200 -91.000 PHE 321 1.000 -60.468 8.039 -9.853 -99.200 -91.000 PHE 325 1.000 -57.346 3.185 -12.290 -99.200 -91.000 PHE 332 1.000 -57.618 -13.185 -23.186 -99.200 -91.000 HIS 342 0.900 -60.707 -10.325 -31.981 -99.200 -91.000 TYR 347 0.840 -61.110 -2.424 -24.252 -99.200 -91.000 HIS 353 0.900 -68.283 2.450 -34.881 -99.200 -91.000 PHE 365 1.000 -53.221 7.330 -18.571 -99.200 -91.000 PHE 368 1.000 -52.027 4.969 -14.005 -99.200 -91.000 HIS 374 0.900 -51.199 4.863 -3.057 -99.200 -91.000 HIS 402 0.900 -52.569 -1.783 -23.279 -99.200 -91.000 TYR 404 0.840 -57.375 -0.674 -23.061 -99.200 -91.000 TRP 415 1.040 -79.397 0.995 -11.359 -99.200 -91.000 TRP6 415 1.020 -81.324 1.719 -12.527 -99.200 -91.000 TYR 431 0.840 -80.039 -5.349 -22.561 -99.200 -91.000 PHE 444 1.000 -74.087 -9.592 -32.517 -99.200 -91.000 PHE 450 1.000 -80.287 -8.260 -18.491 -99.200 -91.000 PHE 453 1.000 -75.216 -3.823 -22.712 -99.200 -91.000 HIS 458 0.900 -77.205 12.692 -16.644 -99.200 -91.000 PHE 463 1.000 -71.362 -4.153 -25.246 -99.200 -91.000 TYR 464 0.840 -69.306 -2.643 -18.245 -99.200 -91.000 TYR 466 0.840 -65.790 -1.538 -25.410 -99.200 -91.000 TYR 471 0.840 -66.444 -2.466 -37.940 -99.200 -91.000 PHE 477 1.000 -77.696 -10.380 -37.113 -99.200 -91.000 TYR 485 0.840 -86.783 -36.312 -38.423 -99.200 -91.000 TRP 495 1.040 -82.059 -30.403 -36.637 -99.200 -91.000 TRP6 495 1.020 -83.135 -29.399 -34.867 -99.200 -91.000 TYR 496 0.840 -79.813 -25.849 -35.726 -99.200 -91.000 PHE 504 1.000 -78.078 -19.905 -35.031 -99.200 -91.000 PHE 508 1.000 -79.079 -12.625 -29.336 -99.200 -91.000 HIS 510 0.900 -81.063 -20.186 -20.251 -99.200 -91.000 TRP 511 1.040 -77.251 -17.112 -21.443 -99.200 -91.000 TRP6 511 1.020 -77.609 -18.332 -23.437 -99.200 -91.000 PHE 522 1.000 -85.100 -8.070 -22.093 -99.200 -91.000 HIS 526 0.900 -86.662 -3.109 -25.733 -99.200 -91.000 PHE 530 1.000 -85.546 -11.688 -26.778 -99.200 -91.000 TYR 534 0.840 -84.851 -4.787 -34.783 -99.200 -91.000 TRP 535 1.040 -81.084 -8.753 -33.991 -99.200 -91.000 TRP6 535 1.020 -79.402 -7.671 -32.736 -99.200 -91.000 HIS 546 0.900 -80.270 4.854 -42.444 -99.200 -91.000 TYR 551 0.840 -83.496 11.822 -33.120 -99.200 -91.000 TYR 553 0.840 -82.590 15.742 -29.021 -99.200 -91.000 PHE 559 1.000 -88.723 22.461 -31.116 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3lcbB1 LEU 5 HA 0.07 0.01 0.25 -0.75 4.35 3.92 3lcbB1 LEU 5 HB2 0.06 0.07 0.06 -0.04 1.64 1.79 3lcbB1 LEU 5 HB3 0.09 -0.04 0.08 -0.04 1.64 1.73 3lcbB1 LEU 5 HG 0.10 -0.07 -0.10 -0.04 1.64 1.53 3lcbB1 LEU 5 HD13 0.05 0.04 -0.03 -0.04 0.93 0.94 3lcbB1 LEU 5 HD23 0.16 0.01 -0.20 -0.04 0.89 0.82 3lcbB1 GLU 6 H 0.18 0.23 0.12 -0.55 8.60 8.58 3lcbB1 GLU 6 HA 0.23 0.08 0.54 -0.75 4.29 4.39 3lcbB1 GLU 6 HB2 0.38 -0.01 0.08 -0.04 2.09 2.50 3lcbB1 GLU 6 HB3 0.22 0.03 0.02 -0.04 1.99 2.22 3lcbB1 GLU 6 HG2 0.53 0.01 0.08 -0.04 2.34 2.92 3lcbB1 GLU 6 HG3 0.37 -0.01 0.10 -0.04 2.34 2.76 3lcbB1 LEU 7 H 0.06 0.18 -0.12 -0.55 8.37 7.93 3lcbB1 LEU 7 HA 0.02 0.08 0.54 -0.75 4.35 4.23 3lcbB1 LEU 7 HB2 -0.50 0.01 0.08 -0.04 1.64 1.19 3lcbB1 LEU 7 HB3 -0.09 0.05 0.06 -0.04 1.64 1.62 3lcbB1 LEU 7 HG -0.17 0.02 -0.01 -0.04 1.64 1.45 3lcbB1 LEU 7 HD13 -0.02 0.01 -0.19 -0.04 0.93 0.69 3lcbB1 LEU 7 HD23 -0.07 -0.01 -0.01 -0.04 0.89 0.76 3lcbB1 LEU 8 H 0.06 0.10 -0.27 -0.55 8.37 7.72 3lcbB1 LEU 8 HA 0.05 0.02 0.31 -0.75 4.35 3.97 3lcbB1 LEU 8 HB2 0.05 -0.01 0.15 -0.04 1.64 1.79 3lcbB1 LEU 8 HB3 0.07 0.15 0.10 -0.04 1.64 1.92 3lcbB1 LEU 8 HG 0.04 0.00 0.03 -0.04 1.64 1.66 3lcbB1 LEU 8 HD13 0.05 0.01 -0.05 -0.04 0.93 0.90 3lcbB1 LEU 8 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 3lcbB1 ILE 9 H 0.11 0.73 -0.13 -0.55 8.25 8.42 3lcbB1 ILE 9 HA 0.08 0.02 0.47 -0.75 4.18 4.00 3lcbB1 ILE 9 HB 0.12 0.11 0.19 -0.04 1.89 2.27 3lcbB1 ILE 9 HG12 0.16 -0.01 0.02 -0.04 1.49 1.61 3lcbB1 ILE 9 HG13 0.08 -0.02 0.05 -0.04 1.21 1.28 3lcbB1 ILE 9 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.78 3lcbB1 ILE 9 HD13 0.11 0.02 -0.06 -0.04 0.88 0.91 3lcbB1 ALA 10 H 0.16 0.38 -0.24 -0.55 8.40 8.16 3lcbB1 ALA 10 HA 0.36 0.01 0.39 -0.75 4.34 4.35 3lcbB1 ALA 10 HB3 0.28 0.06 0.08 -0.04 1.41 1.79 3lcbB1 GLN 11 H 0.10 0.46 -0.21 -0.55 8.47 8.27 3lcbB1 GLN 11 HA 0.05 0.03 0.51 -0.75 4.36 4.20 3lcbB1 GLN 11 HB2 0.05 0.12 0.09 -0.04 2.15 2.37 3lcbB1 GLN 11 HB3 0.04 -0.05 0.04 -0.04 2.02 2.02 3lcbB1 GLN 11 HG2 0.03 -0.01 -0.01 -0.04 2.40 2.36 3lcbB1 GLN 11 HG3 0.04 0.09 -0.02 -0.04 2.39 2.46 3lcbB1 GLN 11 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.87 3lcbB1 GLN 11 HE22 0.01 0.02 -0.04 -0.04 7.69 7.64 3lcbB1 THR 12 H 0.10 0.46 -0.20 -0.55 8.28 8.08 3lcbB1 THR 12 HA 0.07 0.02 0.49 -0.75 4.39 4.22 3lcbB1 THR 12 HB 0.08 0.11 0.18 -0.04 4.32 4.64 3lcbB1 THR 12 HG23 0.07 -0.02 -0.07 -0.04 1.22 1.16 3lcbB1 ILE 13 H 0.15 0.56 -0.02 -0.55 8.25 8.39 3lcbB1 ILE 13 HA 0.24 0.03 0.51 -0.75 4.18 4.22 3lcbB1 ILE 13 HB 0.36 0.11 0.13 -0.04 1.89 2.45 3lcbB1 ILE 13 HG12 -0.05 -0.04 0.02 -0.04 1.49 1.38 3lcbB1 ILE 13 HG13 0.05 0.08 0.09 -0.04 1.21 1.39 3lcbB1 ILE 13 HG23 0.19 -0.02 -0.09 -0.04 0.93 0.96 3lcbB1 ILE 13 HD13 -0.26 -0.01 -0.05 -0.04 0.88 0.51 3lcbB1 LEU 14 H 0.22 0.51 -0.13 -0.55 8.37 8.43 3lcbB1 LEU 14 HA 0.08 -0.01 0.43 -0.75 4.35 4.09 3lcbB1 LEU 14 HB2 -0.29 0.09 0.14 -0.04 1.64 1.54 3lcbB1 LEU 14 HB3 -0.04 0.06 0.14 -0.04 1.64 1.76 3lcbB1 LEU 14 HG -0.05 -0.04 -0.13 -0.04 1.64 1.38 3lcbB1 LEU 14 HD13 -0.72 -0.02 0.03 -0.04 0.93 0.17 3lcbB1 LEU 14 HD23 -0.20 0.01 -0.03 -0.04 0.89 0.63 3lcbB1 GLN 15 H 0.06 0.70 -0.13 -0.55 8.47 8.55 3lcbB1 GLN 15 HA 0.02 -0.01 0.51 -0.75 4.36 4.13 3lcbB1 GLN 15 HB2 0.04 -0.03 0.13 -0.04 2.15 2.24 3lcbB1 GLN 15 HB3 0.05 0.19 0.25 -0.04 2.02 2.47 3lcbB1 GLN 15 HG2 0.04 0.04 -0.20 -0.04 2.40 2.24 3lcbB1 GLN 15 HG3 0.02 -0.09 -0.07 -0.04 2.39 2.21 3lcbB1 GLN 15 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 3lcbB1 GLN 15 HE22 0.05 0.02 -0.02 -0.04 7.69 7.70 3lcbB1 GLY 16 H 0.04 0.52 -0.27 -0.55 8.43 8.18 3lcbB1 GLY 16 HA2 0.02 -0.03 0.43 -0.51 4.01 3.93 3lcbB1 GLY 16 HA3 0.06 0.12 0.34 -0.51 4.01 4.01 3lcbB1 PHE 17 H -0.37 0.53 -0.08 -0.55 8.34 7.87 3lcbB1 PHE 17 HA -1.24 -0.02 0.53 -0.75 4.62 3.14 3lcbB1 PHE 17 HB2 -0.73 -0.00 0.12 -0.04 3.15 2.50 3lcbB1 PHE 17 HB3 -0.34 0.15 0.20 -0.04 3.06 3.03 3lcbB1 PHE 17 HD2 -0.19 0.04 -0.02 -0.04 7.28 7.07 3lcbB1 PHE 17 HE2 0.08 -0.02 -0.06 -0.04 7.38 7.33 3lcbB1 PHE 17 HZ -0.31 -0.03 0.01 -0.04 7.32 6.95 3lcbB1 ASP 18 H -0.11 0.71 -0.02 -0.55 8.40 8.44 3lcbB1 ASP 18 HA -0.31 -0.04 0.45 -0.75 4.63 3.97 3lcbB1 ASP 18 HB2 -0.02 0.18 0.29 -0.04 2.71 3.11 3lcbB1 ASP 18 HB3 -0.04 -0.03 -0.01 -0.04 2.70 2.57 3lcbB1 ALA 19 H -0.19 0.58 -0.20 -0.55 8.40 8.04 3lcbB1 ALA 19 HA -0.11 0.03 0.57 -0.75 4.34 4.08 3lcbB1 ALA 19 HB3 -0.04 0.03 0.11 -0.04 1.41 1.48 3lcbB1 GLN 20 H -0.49 0.52 -0.06 -0.55 8.47 7.90 3lcbB1 GLN 20 HA -0.94 0.01 0.36 -0.75 4.36 3.03 3lcbB1 GLN 20 HB2 -0.24 -0.05 0.14 -0.04 2.15 1.96 3lcbB1 GLN 20 HB3 -0.45 0.27 0.29 -0.04 2.02 2.09 3lcbB1 GLN 20 HG2 0.03 -0.05 0.05 -0.04 2.40 2.38 3lcbB1 GLN 20 HG3 -0.16 0.07 -0.04 -0.04 2.39 2.22 3lcbB1 GLN 20 HE21 0.41 -0.00 -0.00 -0.04 6.97 7.34 3lcbB1 GLN 20 HE22 0.36 -0.01 -0.06 -0.04 7.69 7.94 3lcbB1 TYR 21 H -0.42 0.71 0.02 -0.55 8.29 8.04 3lcbB1 TYR 21 HA -0.10 0.04 0.64 -0.75 4.56 4.39 3lcbB1 TYR 21 HB2 -0.73 -0.01 0.10 -0.04 3.06 2.38 3lcbB1 TYR 21 HB3 -0.50 0.08 0.04 -0.04 2.98 2.56 3lcbB1 TYR 21 HD2 -0.20 0.00 -0.00 -0.04 7.15 6.91 3lcbB1 TYR 21 HE2 -0.37 0.05 0.05 -0.04 6.85 6.53 3lcbB1 GLY 22 H -0.16 0.33 -0.41 -0.55 8.43 7.65 3lcbB1 GLY 22 HA2 -0.03 0.02 0.54 -0.51 4.01 4.02 3lcbB1 GLY 22 HA3 -0.06 0.13 0.36 -0.51 4.01 3.93 3lcbB1 ARG 23 H -0.07 0.54 -0.07 -0.55 8.46 8.31 3lcbB1 ARG 23 HA 0.01 0.02 0.48 -0.75 4.34 4.10 3lcbB1 ARG 23 HB2 0.10 0.10 0.12 -0.04 1.90 2.18 3lcbB1 ARG 23 HB3 0.10 -0.05 0.02 -0.04 1.80 1.83 3lcbB1 ARG 23 HG2 0.04 0.30 0.09 -0.04 1.67 2.05 3lcbB1 ARG 23 HG3 0.30 -0.04 0.00 -0.04 1.67 1.89 3lcbB1 ARG 23 HD2 0.03 -0.04 -0.05 -0.04 3.22 3.12 3lcbB1 ARG 23 HD3 0.07 0.00 -0.01 -0.04 3.22 3.24 3lcbB1 PHE 24 H 0.06 0.49 -0.08 -0.55 8.34 8.26 3lcbB1 PHE 24 HA -0.05 0.02 0.48 -0.75 4.62 4.33 3lcbB1 PHE 24 HB2 -0.09 0.04 0.20 -0.04 3.15 3.26 3lcbB1 PHE 24 HB3 -0.56 0.07 0.24 -0.04 3.06 2.77 3lcbB1 PHE 24 HD2 -0.31 0.02 -0.06 -0.04 7.28 6.89 3lcbB1 PHE 24 HE2 0.03 0.08 0.02 -0.04 7.38 7.47 3lcbB1 PHE 24 HZ 0.11 0.15 0.02 -0.04 7.32 7.56 3lcbB1 LEU 25 H -0.10 0.51 -0.24 -0.55 8.37 7.99 3lcbB1 LEU 25 HA -0.04 0.02 0.42 -0.75 4.35 3.99 3lcbB1 LEU 25 HB2 -0.02 0.19 0.18 -0.04 1.64 1.95 3lcbB1 LEU 25 HB3 0.16 -0.06 -0.01 -0.04 1.64 1.68 3lcbB1 LEU 25 HG -0.45 0.12 0.09 -0.04 1.64 1.37 3lcbB1 LEU 25 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 3lcbB1 LEU 25 HD23 -0.44 0.03 -0.15 -0.04 0.89 0.29 3lcbB1 GLU 26 H 0.00 0.41 -0.14 -0.55 8.60 8.32 3lcbB1 GLU 26 HA 0.02 0.01 0.41 -0.75 4.29 3.99 3lcbB1 GLU 26 HB2 -0.00 0.06 0.14 -0.04 2.09 2.25 3lcbB1 GLU 26 HB3 -0.01 -0.04 0.06 -0.04 1.99 1.95 3lcbB1 GLU 26 HG2 0.03 -0.06 0.05 -0.04 2.34 2.32 3lcbB1 GLU 26 HG3 0.01 0.31 0.11 -0.04 2.34 2.72 3lcbB1 VAL 27 H -0.06 0.63 -0.07 -0.55 8.24 8.19 3lcbB1 VAL 27 HA -0.06 0.00 0.54 -0.75 4.13 3.86 3lcbB1 VAL 27 HB -0.13 0.16 0.15 -0.04 2.12 2.25 3lcbB1 VAL 27 HG13 -0.09 -0.02 -0.08 -0.04 0.97 0.75 3lcbB1 VAL 27 HG23 -0.02 -0.00 0.01 -0.04 0.95 0.90 3lcbB1 THR 28 H -0.14 0.40 -0.31 -0.55 8.28 7.68 3lcbB1 THR 28 HA -0.11 0.03 0.47 -0.75 4.39 4.03 3lcbB1 THR 28 HB 0.07 0.05 0.04 -0.04 4.32 4.44 3lcbB1 THR 28 HG23 0.01 0.06 -0.21 -0.04 1.22 1.03 3lcbB1 SER 29 H -0.01 0.47 -0.12 -0.55 8.46 8.26 3lcbB1 SER 29 HA -0.17 0.03 0.60 -0.75 4.49 4.19 3lcbB1 SER 29 HB2 -0.21 -0.06 0.09 -0.04 3.95 3.73 3lcbB1 SER 29 HB3 -0.23 0.01 0.10 -0.04 3.93 3.77 3lcbB1 GLY 30 H -0.08 0.35 -0.43 -0.55 8.43 7.72 3lcbB1 GLY 30 HA2 -0.09 -0.01 0.41 -0.51 4.01 3.81 3lcbB1 GLY 30 HA3 -0.08 0.09 0.28 -0.51 4.01 3.80 3lcbB1 ALA 31 H -0.16 0.36 -0.53 -0.55 8.40 7.52 3lcbB1 ALA 31 HA -0.16 -0.01 0.26 -0.75 4.34 3.68 3lcbB1 ALA 31 HB3 -0.34 0.04 0.09 -0.04 1.41 1.16 3lcbB1 GLN 32 H -0.41 0.29 -0.13 -0.55 8.47 7.67 3lcbB1 GLN 32 HA -0.42 0.06 0.34 -0.75 4.36 3.58 3lcbB1 GLN 32 HB2 -0.12 0.03 0.10 -0.04 2.15 2.12 3lcbB1 GLN 32 HB3 -0.12 0.06 0.09 -0.04 2.02 2.01 3lcbB1 GLN 32 HG2 0.04 -0.04 -0.24 -0.04 2.40 2.12 3lcbB1 GLN 32 HG3 0.17 -0.02 -0.03 -0.04 2.39 2.47 3lcbB1 GLN 32 HE21 0.03 0.15 -0.07 -0.04 6.97 7.03 3lcbB1 GLN 32 HE22 0.04 -0.12 -0.09 -0.04 7.69 7.48 3lcbB1 GLN 33 H -0.12 0.26 -0.18 -0.55 8.47 7.88 3lcbB1 GLN 33 HA -0.06 0.03 0.46 -0.75 4.36 4.04 3lcbB1 GLN 33 HB2 -0.08 0.01 0.11 -0.04 2.15 2.15 3lcbB1 GLN 33 HB3 -0.09 0.14 0.10 -0.04 2.02 2.14 3lcbB1 GLN 33 HG2 -0.08 -0.02 -0.11 -0.04 2.40 2.15 3lcbB1 GLN 33 HG3 -0.07 -0.02 0.07 -0.04 2.39 2.33 3lcbB1 GLN 33 HE21 -0.05 -0.01 0.00 -0.04 6.97 6.87 3lcbB1 GLN 33 HE22 -0.06 -0.00 0.01 -0.04 7.69 7.60 3lcbB1 ARG 34 H -0.10 0.49 -0.15 -0.55 8.46 8.15 3lcbB1 ARG 34 HA -0.13 -0.03 0.47 -0.75 4.34 3.89 3lcbB1 ARG 34 HB2 -0.04 0.19 0.11 -0.04 1.90 2.12 3lcbB1 ARG 34 HB3 -0.04 -0.03 -0.04 -0.04 1.80 1.65 3lcbB1 ARG 34 HG2 -0.07 -0.08 -0.03 -0.04 1.67 1.45 3lcbB1 ARG 34 HG3 -0.07 0.24 -0.06 -0.04 1.67 1.73 3lcbB1 ARG 34 HD2 -0.01 -0.15 -0.46 -0.04 3.22 2.57 3lcbB1 ARG 34 HD3 -0.04 -0.02 -0.18 -0.04 3.22 2.95 3lcbB1 PHE 35 H 0.08 0.62 -0.07 -0.55 8.34 8.41 3lcbB1 PHE 35 HA 0.01 0.03 0.41 -0.75 4.62 4.32 3lcbB1 PHE 35 HB2 0.24 0.02 0.00 -0.04 3.15 3.37 3lcbB1 PHE 35 HB3 0.08 0.06 0.10 -0.04 3.06 3.26 3lcbB1 PHE 35 HD2 0.29 0.03 -0.23 -0.04 7.28 7.33 3lcbB1 PHE 35 HE2 -0.03 0.07 -0.27 -0.04 7.38 7.10 3lcbB1 PHE 35 HZ -0.13 0.01 -0.26 -0.04 7.32 6.90 3lcbB1 GLU 36 H 0.04 0.58 -0.13 -0.55 8.60 8.54 3lcbB1 GLU 36 HA -0.17 0.03 0.37 -0.75 4.29 3.76 3lcbB1 GLU 36 HB2 -0.05 0.04 0.21 -0.04 2.09 2.25 3lcbB1 GLU 36 HB3 -0.08 0.00 -0.03 -0.04 1.99 1.83 3lcbB1 GLU 36 HG2 0.00 -0.05 -0.09 -0.04 2.34 2.16 3lcbB1 GLU 36 HG3 0.13 0.07 -0.00 -0.04 2.34 2.50 3lcbB1 GLN 37 H -0.18 0.60 -0.02 -0.55 8.47 8.31 3lcbB1 GLN 37 HA -0.20 0.05 0.46 -0.75 4.36 3.92 3lcbB1 GLN 37 HB2 -0.20 0.08 0.15 -0.04 2.15 2.13 3lcbB1 GLN 37 HB3 -0.21 -0.08 0.11 -0.04 2.02 1.81 3lcbB1 GLN 37 HG2 -0.12 -0.03 0.06 -0.04 2.40 2.27 3lcbB1 GLN 37 HG3 -0.12 0.02 0.07 -0.04 2.39 2.32 3lcbB1 GLN 37 HE21 -0.08 -0.05 -0.01 -0.04 6.97 6.80 3lcbB1 GLN 37 HE22 -0.08 0.00 0.02 -0.04 7.69 7.59 3lcbB1 ALA 38 H -0.54 0.22 -1.04 -0.55 8.40 6.50 3lcbB1 ALA 38 HA -1.72 0.09 0.25 -0.75 4.34 2.21 3lcbB1 ALA 38 HB3 -0.49 0.02 0.07 -0.04 1.41 0.96 3lcbB1 ASP 39 H -0.59 0.38 -0.23 -0.55 8.40 7.42 3lcbB1 ASP 39 HA -0.45 0.12 0.69 -0.75 4.63 4.24 3lcbB1 ASP 39 HB2 -0.25 0.12 0.05 -0.04 2.71 2.59 3lcbB1 ASP 39 HB3 -0.21 -0.02 0.22 -0.04 2.70 2.64 3lcbB1 TRP 40 H -0.34 0.37 0.19 -0.55 7.97 7.65 3lcbB1 TRP 40 HA 0.01 0.12 0.37 -0.75 4.62 4.37 3lcbB1 TRP 40 HB2 0.05 0.06 0.05 -0.04 3.23 3.34 3lcbB1 TRP 40 HB3 0.01 -0.03 0.07 -0.04 3.23 3.25 3lcbB1 TRP 40 HD1 -0.06 -0.01 0.11 -0.04 7.22 7.22 3lcbB1 TRP 40 HE1 -0.07 -0.02 0.10 -0.04 10.20 10.16 3lcbB1 TRP 40 HE3 0.03 -0.08 -0.24 -0.04 7.59 7.26 3lcbB1 TRP 40 HZ2 -0.18 0.02 0.07 -0.04 7.44 7.31 3lcbB1 TRP 40 HZ3 0.20 0.08 -0.02 -0.04 7.13 7.35 3lcbB1 TRP 40 HH2 -0.42 0.06 0.02 -0.04 7.19 6.81 3lcbB1 HIS 41 H 0.14 0.10 -0.19 -0.55 8.41 7.91 3lcbB1 HIS 41 HA 0.03 0.21 0.74 -0.75 4.63 4.86 3lcbB1 HIS 41 HB2 -0.02 -0.01 0.07 -0.04 3.26 3.26 3lcbB1 HIS 41 HB3 -0.01 0.03 0.02 -0.04 3.20 3.20 3lcbB1 HIS 41 HD2 -0.01 -0.01 0.01 -0.04 6.97 6.91 3lcbB1 HIS 41 HE1 0.03 0.08 -0.18 -0.04 7.75 7.64 3lcbB1 ALA 42 H 0.05 0.15 -0.16 -0.55 8.40 7.90 3lcbB1 ALA 42 HA 0.02 0.13 0.70 -0.75 4.34 4.42 3lcbB1 ALA 42 HB3 -0.03 0.06 0.06 -0.04 1.41 1.46 3lcbB1 VAL 43 H 0.09 0.30 -0.12 -0.55 8.24 7.97 3lcbB1 VAL 43 HA 0.07 0.07 0.40 -0.75 4.13 3.91 3lcbB1 VAL 43 HB 0.30 0.03 0.05 -0.04 2.12 2.46 3lcbB1 VAL 43 HG13 0.21 0.07 -0.04 -0.04 0.97 1.17 3lcbB1 VAL 43 HG23 0.27 0.14 -0.06 -0.04 0.95 1.26 3lcbB1 GLN 44 H 0.07 0.22 -0.42 -0.55 8.47 7.80 3lcbB1 GLN 44 HA -0.03 0.09 0.64 -0.75 4.36 4.31 3lcbB1 GLN 44 HB2 -0.04 0.11 0.14 -0.04 2.15 2.32 3lcbB1 GLN 44 HB3 -0.11 0.04 -0.02 -0.04 2.02 1.88 3lcbB1 GLN 44 HG2 -0.15 -0.04 0.06 -0.04 2.40 2.23 3lcbB1 GLN 44 HG3 -0.05 -0.07 0.01 -0.04 2.39 2.24 3lcbB1 GLN 44 HE21 -0.10 0.02 0.02 -0.04 6.97 6.87 3lcbB1 GLN 44 HE22 -0.10 -0.09 0.03 -0.04 7.69 7.49 3lcbB1 GLN 45 H -0.00 0.25 -0.32 -0.55 8.47 7.86 3lcbB1 GLN 45 HA -0.03 0.07 0.52 -0.75 4.36 4.17 3lcbB1 GLN 45 HB2 0.00 0.10 0.29 -0.04 2.15 2.50 3lcbB1 GLN 45 HB3 -0.00 -0.03 -0.01 -0.04 2.02 1.93 3lcbB1 GLN 45 HG2 -0.03 0.02 0.06 -0.04 2.40 2.41 3lcbB1 GLN 45 HG3 -0.00 -0.00 0.05 -0.04 2.39 2.40 3lcbB1 GLN 45 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 3lcbB1 GLN 45 HE22 0.01 0.00 -0.01 -0.04 7.69 7.65 3lcbB1 ALA 46 H -0.00 0.64 -0.17 -0.55 8.40 8.32 3lcbB1 ALA 46 HA -0.02 -0.02 0.47 -0.75 4.34 4.02 3lcbB1 ALA 46 HB3 -0.02 0.05 0.06 -0.04 1.41 1.46 3lcbB1 MET 47 H -0.01 0.29 -0.39 -0.55 8.47 7.81 3lcbB1 MET 47 HA 0.01 0.03 0.44 -0.75 4.52 4.25 3lcbB1 MET 47 HB2 -0.02 0.03 0.14 -0.04 2.15 2.27 3lcbB1 MET 47 HB3 -0.04 0.22 0.11 -0.04 2.03 2.28 3lcbB1 MET 47 HG2 -0.08 -0.04 0.01 -0.04 2.63 2.48 3lcbB1 MET 47 HG3 -0.05 0.03 -0.14 -0.04 2.56 2.36 3lcbB1 MET 47 HE3 0.04 0.01 -0.02 -0.04 2.10 2.09 3lcbB1 LYS 48 H -0.04 0.32 -0.27 -0.55 8.42 7.87 3lcbB1 LYS 48 HA -0.10 0.08 0.53 -0.75 4.32 4.08 3lcbB1 LYS 48 HB2 -0.07 0.08 0.13 -0.04 1.87 1.97 3lcbB1 LYS 48 HB3 -0.16 -0.06 0.09 -0.04 1.79 1.62 3lcbB1 LYS 48 HG2 -0.06 0.05 0.00 -0.04 1.46 1.41 3lcbB1 LYS 48 HG3 -0.06 0.19 0.08 -0.04 1.46 1.63 3lcbB1 LYS 48 HD2 -0.03 -0.08 0.03 -0.04 1.69 1.57 3lcbB1 LYS 48 HD3 -0.02 0.02 0.05 -0.04 1.68 1.69 3lcbB1 LYS 48 HE2 -0.07 -0.05 -0.13 -0.04 2.99 2.70 3lcbB1 LYS 48 HE3 -0.04 -0.07 -0.00 -0.04 2.99 2.84 3lcbB1 ASN 49 H -0.03 0.44 -0.14 -0.55 8.53 8.26 3lcbB1 ASN 49 HA 0.02 0.02 0.53 -0.75 4.76 4.58 3lcbB1 ASN 49 HB2 0.00 0.08 0.18 -0.04 2.88 3.11 3lcbB1 ASN 49 HB3 0.03 -0.06 -0.02 -0.04 2.79 2.70 3lcbB1 ASN 49 HD21 0.02 -0.03 -0.04 -0.04 7.03 6.94 3lcbB1 ASN 49 HD22 0.01 -0.02 -0.04 -0.04 7.74 7.64 3lcbB1 ARG 50 H 0.01 0.69 -0.03 -0.55 8.46 8.58 3lcbB1 ARG 50 HA 0.06 -0.03 0.41 -0.75 4.34 4.03 3lcbB1 ARG 50 HB2 -0.00 0.25 0.18 -0.04 1.90 2.29 3lcbB1 ARG 50 HB3 0.09 0.06 0.03 -0.04 1.80 1.94 3lcbB1 ARG 50 HG2 -0.00 -0.09 0.10 -0.04 1.67 1.64 3lcbB1 ARG 50 HG3 -0.26 -0.02 0.08 -0.04 1.67 1.43 3lcbB1 ARG 50 HD2 -0.05 0.03 -0.01 -0.04 3.22 3.15 3lcbB1 ARG 50 HD3 0.09 0.02 0.04 -0.04 3.22 3.34 3lcbB1 ILE 51 H 0.05 0.31 -0.47 -0.55 8.25 7.58 3lcbB1 ILE 51 HA 0.17 -0.01 0.67 -0.75 4.18 4.26 3lcbB1 ILE 51 HB -0.02 0.24 0.15 -0.04 1.89 2.22 3lcbB1 ILE 51 HG12 0.11 0.02 0.05 -0.04 1.49 1.62 3lcbB1 ILE 51 HG13 0.14 -0.12 0.08 -0.04 1.21 1.27 3lcbB1 ILE 51 HG23 0.11 -0.02 -0.11 -0.04 0.93 0.87 3lcbB1 ILE 51 HD13 0.14 0.01 0.07 -0.04 0.88 1.06 3lcbB1 HIS 52 H 0.07 0.36 -0.01 -0.55 8.41 8.29 3lcbB1 HIS 52 HA 0.12 -0.00 0.29 -0.75 4.63 4.29 3lcbB1 HIS 52 HB2 0.06 0.08 0.21 -0.04 3.26 3.57 3lcbB1 HIS 52 HB3 0.06 -0.06 0.06 -0.04 3.20 3.23 3lcbB1 HIS 52 HD2 0.08 -0.05 -0.04 -0.04 6.97 6.92 3lcbB1 HIS 52 HE1 0.04 -0.01 -0.01 -0.04 7.75 7.72 3lcbB1 LEU 53 H 0.23 0.33 -0.52 -0.55 8.37 7.87 3lcbB1 LEU 53 HA 0.17 0.12 0.74 -0.75 4.35 4.63 3lcbB1 LEU 53 HB2 0.29 -0.06 0.00 -0.04 1.64 1.84 3lcbB1 LEU 53 HB3 0.12 0.02 0.00 -0.04 1.64 1.74 3lcbB1 LEU 53 HG 0.19 0.19 0.07 -0.04 1.64 2.05 3lcbB1 LEU 53 HD13 0.32 -0.04 0.04 -0.04 0.93 1.21 3lcbB1 LEU 53 HD23 0.09 -0.02 -0.13 -0.04 0.89 0.79 3lcbB1 TYR 54 H 0.40 0.38 0.04 -0.55 8.29 8.56 3lcbB1 TYR 54 HA 0.35 0.03 0.47 -0.75 4.56 4.66 3lcbB1 TYR 54 HB2 0.24 0.09 0.23 -0.04 3.06 3.58 3lcbB1 TYR 54 HB3 0.19 0.09 0.23 -0.04 2.98 3.46 3lcbB1 TYR 54 HD2 0.17 0.05 -0.16 -0.04 7.15 7.17 3lcbB1 TYR 54 HE2 0.11 0.00 -0.05 -0.04 6.85 6.87 3lcbB1 ASP 55 H 0.38 0.39 -0.11 -0.55 8.40 8.51 3lcbB1 ASP 55 HA 0.24 -0.00 0.41 -0.75 4.63 4.52 3lcbB1 ASP 55 HB2 0.21 0.12 0.01 -0.04 2.71 3.01 3lcbB1 ASP 55 HB3 0.15 0.01 0.06 -0.04 2.70 2.88 3lcbB1 HIS 56 H 0.27 0.19 -0.67 -0.55 8.41 7.66 3lcbB1 HIS 56 HA 0.00 0.06 0.69 -0.75 4.63 4.63 3lcbB1 HIS 56 HB2 0.01 0.21 0.23 -0.04 3.26 3.67 3lcbB1 HIS 56 HB3 -0.05 0.14 0.26 -0.04 3.20 3.51 3lcbB1 HIS 56 HD2 -0.04 0.01 0.04 -0.04 6.97 6.94 3lcbB1 HIS 56 HE1 -0.14 -0.02 -0.03 -0.04 7.75 7.51 3lcbB1 HIS 57 H 0.26 0.58 0.03 -0.55 8.41 8.73 3lcbB1 HIS 57 HA 0.11 0.04 0.60 -0.75 4.63 4.62 3lcbB1 HIS 57 HB2 0.21 0.11 0.23 -0.04 3.26 3.77 3lcbB1 HIS 57 HB3 0.26 -0.01 0.06 -0.04 3.20 3.47 3lcbB1 HIS 57 HD2 0.17 0.12 -0.09 -0.04 6.97 7.13 3lcbB1 HIS 57 HE1 0.08 -0.00 -0.08 -0.04 7.75 7.70 3lcbB1 VAL 58 H 0.06 0.54 0.05 -0.55 8.24 8.34 3lcbB1 VAL 58 HA -0.26 0.04 0.52 -0.75 4.13 3.67 3lcbB1 VAL 58 HB -0.02 0.04 0.07 -0.04 2.12 2.16 3lcbB1 VAL 58 HG13 -0.15 -0.00 -0.22 -0.04 0.97 0.55 3lcbB1 VAL 58 HG23 -0.50 0.05 -0.01 -0.04 0.95 0.45 3lcbB1 GLY 59 H -0.02 0.35 -0.38 -0.55 8.43 7.84 3lcbB1 GLY 59 HA2 -0.04 0.02 0.38 -0.51 4.01 3.86 3lcbB1 GLY 59 HA3 -0.07 0.14 0.29 -0.51 4.01 3.86 3lcbB1 LEU 60 H -0.14 0.54 -0.16 -0.55 8.37 8.07 3lcbB1 LEU 60 HA -0.09 0.02 0.46 -0.75 4.35 3.98 3lcbB1 LEU 60 HB2 -0.23 0.24 0.23 -0.04 1.64 1.85 3lcbB1 LEU 60 HB3 0.02 0.03 0.13 -0.04 1.64 1.78 3lcbB1 LEU 60 HG -0.12 0.01 0.04 -0.04 1.64 1.53 3lcbB1 LEU 60 HD13 0.06 -0.01 -0.00 -0.04 0.93 0.94 3lcbB1 LEU 60 HD23 -0.01 -0.02 0.00 -0.04 0.89 0.82 3lcbB1 VAL 61 H 0.07 0.58 -0.09 -0.55 8.24 8.26 3lcbB1 VAL 61 HA 0.06 -0.01 0.38 -0.75 4.13 3.81 3lcbB1 VAL 61 HB 0.08 0.11 0.16 -0.04 2.12 2.42 3lcbB1 VAL 61 HG13 0.09 -0.03 -0.12 -0.04 0.97 0.88 3lcbB1 VAL 61 HG23 0.30 0.08 0.12 -0.04 0.95 1.41 3lcbB1 VAL 62 H -0.02 0.56 -0.21 -0.55 8.24 8.02 3lcbB1 VAL 62 HA -0.03 -0.02 0.43 -0.75 4.13 3.76 3lcbB1 VAL 62 HB -0.04 0.18 0.16 -0.04 2.12 2.38 3lcbB1 VAL 62 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.75 3lcbB1 VAL 62 HG23 -0.06 -0.00 0.03 -0.04 0.95 0.87 3lcbB1 GLU 63 H -0.02 0.45 -0.24 -0.55 8.60 8.25 3lcbB1 GLU 63 HA -0.01 0.03 0.50 -0.75 4.29 4.06 3lcbB1 GLU 63 HB2 -0.03 0.16 0.22 -0.04 2.09 2.41 3lcbB1 GLU 63 HB3 -0.01 -0.01 0.02 -0.04 1.99 1.94 3lcbB1 GLU 63 HG2 -0.02 0.02 0.03 -0.04 2.34 2.33 3lcbB1 GLU 63 HG3 -0.02 -0.03 0.02 -0.04 2.34 2.27 3lcbB1 GLN 64 H 0.01 0.56 0.00 -0.55 8.47 8.50 3lcbB1 GLN 64 HA 0.02 0.01 0.44 -0.75 4.36 4.07 3lcbB1 GLN 64 HB2 0.04 0.10 0.15 -0.04 2.15 2.40 3lcbB1 GLN 64 HB3 0.04 -0.06 0.05 -0.04 2.02 2.00 3lcbB1 GLN 64 HG2 0.02 -0.05 0.02 -0.04 2.40 2.35 3lcbB1 GLN 64 HG3 0.02 0.41 0.04 -0.04 2.39 2.81 3lcbB1 GLN 64 HE21 0.06 -0.02 -0.03 -0.04 6.97 6.93 3lcbB1 GLN 64 HE22 0.04 -0.01 -0.03 -0.04 7.69 7.65 3lcbB1 LEU 65 H 0.02 0.72 -0.10 -0.55 8.37 8.46 3lcbB1 LEU 65 HA 0.04 -0.01 0.49 -0.75 4.35 4.11 3lcbB1 LEU 65 HB2 0.00 0.13 0.11 -0.04 1.64 1.84 3lcbB1 LEU 65 HB3 0.03 -0.07 0.04 -0.04 1.64 1.60 3lcbB1 LEU 65 HG 0.02 0.20 0.01 -0.04 1.64 1.82 3lcbB1 LEU 65 HD13 -0.05 -0.02 -0.07 -0.04 0.93 0.75 3lcbB1 LEU 65 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 3lcbB1 ARG 66 H 0.01 0.48 -0.21 -0.55 8.46 8.19 3lcbB1 ARG 66 HA 0.02 0.01 0.51 -0.75 4.34 4.12 3lcbB1 ARG 66 HB2 0.00 0.20 0.21 -0.04 1.90 2.28 3lcbB1 ARG 66 HB3 0.00 0.07 0.11 -0.04 1.80 1.94 3lcbB1 ARG 66 HG2 0.00 -0.03 0.09 -0.04 1.67 1.70 3lcbB1 ARG 66 HG3 -0.00 -0.01 0.03 -0.04 1.67 1.66 3lcbB1 ARG 66 HD2 0.00 -0.02 -0.15 -0.04 3.22 3.01 3lcbB1 ARG 66 HD3 -0.00 -0.03 0.00 -0.04 3.22 3.15 3lcbB1 CYS 67 H 0.01 0.43 -0.25 -0.55 8.50 8.14 3lcbB1 CYS 67 HA 0.01 0.04 0.47 -0.75 4.58 4.35 3lcbB1 CYS 67 HB2 0.01 0.12 0.13 -0.04 2.97 3.19 3lcbB1 CYS 67 HB3 0.01 -0.06 0.02 -0.04 2.97 2.91 3lcbB1 ILE 68 H 0.03 0.24 -0.31 -0.55 8.25 7.65 3lcbB1 ILE 68 HA 0.03 0.08 0.60 -0.75 4.18 4.13 3lcbB1 ILE 68 HB 0.05 0.04 0.14 -0.04 1.89 2.08 3lcbB1 ILE 68 HG12 0.04 -0.06 -0.01 -0.04 1.49 1.41 3lcbB1 ILE 68 HG13 0.03 0.19 0.05 -0.04 1.21 1.44 3lcbB1 ILE 68 HG23 0.05 -0.03 -0.11 -0.04 0.93 0.81 3lcbB1 ILE 68 HD13 0.05 -0.04 -0.08 -0.04 0.88 0.76 3lcbB1 THR 69 H 0.04 0.38 -0.01 -0.55 8.28 8.14 3lcbB1 THR 69 HA 0.01 -0.03 0.38 -0.75 4.39 4.00 3lcbB1 THR 69 HB 0.00 0.03 -0.01 -0.04 4.32 4.30 3lcbB1 THR 69 HG23 0.08 -0.03 0.05 -0.04 1.22 1.28 3lcbB1 ASN 70 H 0.01 0.32 -0.24 -0.55 8.53 8.06 3lcbB1 ASN 70 HA -0.00 0.06 0.15 -0.75 4.76 4.21 3lcbB1 ASN 70 HB2 0.00 0.14 -0.37 -0.04 2.88 2.61 3lcbB1 ASN 70 HB3 -0.00 -0.07 0.03 -0.04 2.79 2.70 3lcbB1 ASN 70 HD21 0.01 -0.09 0.05 -0.04 7.03 6.96 3lcbB1 ASN 70 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.68 3lcbB1 GLU 77 HA 0.09 0.03 0.25 -0.75 4.29 3.90 3lcbB1 GLU 77 HB2 0.07 0.03 0.06 -0.04 2.09 2.21 3lcbB1 GLU 77 HB3 0.09 0.04 0.09 -0.04 1.99 2.17 3lcbB1 GLU 77 HG2 0.20 -0.12 -0.01 -0.04 2.34 2.37 3lcbB1 GLU 77 HG3 0.09 0.03 -0.10 -0.04 2.34 2.31 3lcbB1 PHE 78 H 0.52 0.26 0.19 -0.55 8.34 8.76 3lcbB1 PHE 78 HA 0.03 0.12 0.68 -0.75 4.62 4.68 3lcbB1 PHE 78 HB2 0.04 -0.02 0.16 -0.04 3.15 3.30 3lcbB1 PHE 78 HB3 0.03 0.05 0.15 -0.04 3.06 3.25 3lcbB1 PHE 78 HD2 0.05 -0.05 0.11 -0.04 7.28 7.36 3lcbB1 PHE 78 HE2 0.05 0.03 -0.04 -0.04 7.38 7.38 3lcbB1 PHE 78 HZ 0.04 0.06 -0.03 -0.04 7.32 7.35 3lcbB1 LEU 79 H 0.01 0.26 -0.02 -0.55 8.37 8.07 3lcbB1 LEU 79 HA -0.52 0.05 0.48 -0.75 4.35 3.61 3lcbB1 LEU 79 HB2 -0.02 0.02 0.14 -0.04 1.64 1.74 3lcbB1 LEU 79 HB3 0.05 0.05 0.03 -0.04 1.64 1.74 3lcbB1 LEU 79 HG -0.03 -0.02 0.05 -0.04 1.64 1.60 3lcbB1 LEU 79 HD13 0.34 0.02 0.01 -0.04 0.93 1.26 3lcbB1 LEU 79 HD23 0.16 -0.02 -0.00 -0.04 0.89 0.99 3lcbB1 LEU 80 H -0.01 0.19 -0.35 -0.55 8.37 7.66 3lcbB1 LEU 80 HA -0.05 0.20 0.50 -0.75 4.35 4.25 3lcbB1 LEU 80 HB2 0.01 0.03 0.08 -0.04 1.64 1.71 3lcbB1 LEU 80 HB3 -0.02 0.02 -0.03 -0.04 1.64 1.57 3lcbB1 LEU 80 HG -0.02 0.09 0.04 -0.04 1.64 1.71 3lcbB1 LEU 80 HD13 0.00 -0.01 0.01 -0.04 0.93 0.89 3lcbB1 LEU 80 HD23 -0.05 -0.01 0.03 -0.04 0.89 0.81 3lcbB1 ARG 81 H -0.07 0.18 -0.32 -0.55 8.46 7.70 3lcbB1 ARG 81 HA -0.17 0.09 0.59 -0.75 4.34 4.10 3lcbB1 ARG 81 HB2 -0.09 0.09 0.08 -0.04 1.90 1.94 3lcbB1 ARG 81 HB3 -0.22 -0.04 0.09 -0.04 1.80 1.59 3lcbB1 ARG 81 HG2 -0.02 0.01 0.05 -0.04 1.67 1.67 3lcbB1 ARG 81 HG3 0.00 0.04 0.16 -0.04 1.67 1.84 3lcbB1 ARG 81 HD2 0.13 -0.02 0.13 -0.04 3.22 3.42 3lcbB1 ARG 81 HD3 0.07 -0.02 0.05 -0.04 3.22 3.28 3lcbB1 VAL 82 H -0.18 0.45 -0.02 -0.55 8.24 7.94 3lcbB1 VAL 82 HA 0.04 0.04 0.47 -0.75 4.13 3.93 3lcbB1 VAL 82 HB -0.23 0.06 0.25 -0.04 2.12 2.16 3lcbB1 VAL 82 HG13 0.03 0.00 -0.12 -0.04 0.97 0.83 3lcbB1 VAL 82 HG23 -0.29 0.06 0.09 -0.04 0.95 0.77 3lcbB1 LYS 83 H -0.00 0.66 -0.11 -0.55 8.42 8.41 3lcbB1 LYS 83 HA 0.10 -0.00 0.50 -0.75 4.32 4.15 3lcbB1 LYS 83 HB2 -0.08 0.13 0.12 -0.04 1.87 2.00 3lcbB1 LYS 83 HB3 -0.18 0.15 0.06 -0.04 1.79 1.78 3lcbB1 LYS 83 HG2 -0.75 -0.08 -0.07 -0.04 1.46 0.51 3lcbB1 LYS 83 HG3 -1.26 -0.08 -0.04 -0.04 1.46 0.04 3lcbB1 LYS 83 HD2 -0.52 0.04 -0.52 -0.04 1.69 0.65 3lcbB1 LYS 83 HD3 -0.41 0.09 -0.14 -0.04 1.68 1.18 3lcbB1 LYS 83 HE2 -1.30 -0.06 -0.15 -0.04 2.99 1.44 3lcbB1 LYS 83 HE3 -1.78 -0.20 -0.43 -0.04 2.99 0.54 3lcbB1 GLU 84 H -0.08 0.20 -0.53 -0.55 8.60 7.64 3lcbB1 GLU 84 HA 0.00 0.04 0.42 -0.75 4.29 4.01 3lcbB1 GLU 84 HB2 -0.09 0.16 0.19 -0.04 2.09 2.30 3lcbB1 GLU 84 HB3 -0.19 0.05 0.20 -0.04 1.99 2.01 3lcbB1 GLU 84 HG2 -0.04 -0.02 0.00 -0.04 2.34 2.24 3lcbB1 GLU 84 HG3 -0.00 -0.03 -0.11 -0.04 2.34 2.16 3lcbB1 HIS 85 H -0.15 0.72 0.07 -0.55 8.41 8.51 3lcbB1 HIS 85 HA 0.07 0.02 0.41 -0.75 4.63 4.37 3lcbB1 HIS 85 HB2 0.12 0.12 0.12 -0.04 3.26 3.57 3lcbB1 HIS 85 HB3 0.08 -0.04 0.05 -0.04 3.20 3.25 3lcbB1 HIS 85 HD2 0.08 -0.02 -0.73 -0.04 6.97 6.26 3lcbB1 HIS 85 HE1 0.05 0.00 -0.01 -0.04 7.75 7.75 3lcbB1 TYR 86 H 0.35 0.45 -0.31 -0.55 8.29 8.23 3lcbB1 TYR 86 HA 0.13 0.01 0.49 -0.75 4.56 4.44 3lcbB1 TYR 86 HB2 0.35 0.13 0.18 -0.04 3.06 3.68 3lcbB1 TYR 86 HB3 0.23 0.18 0.14 -0.04 2.98 3.49 3lcbB1 TYR 86 HD2 0.09 0.02 -0.03 -0.04 7.15 7.19 3lcbB1 TYR 86 HE2 -0.04 -0.08 -0.13 -0.04 6.85 6.56 3lcbB1 THR 87 H 0.26 0.58 -0.06 -0.55 8.28 8.52 3lcbB1 THR 87 HA 0.16 -0.05 0.38 -0.75 4.39 4.13 3lcbB1 THR 87 HB 0.09 0.08 0.10 -0.04 4.32 4.55 3lcbB1 THR 87 HG23 0.14 -0.03 0.04 -0.04 1.22 1.32 3lcbB1 ARG 88 H 0.10 0.39 -0.50 -0.55 8.46 7.90 3lcbB1 ARG 88 HA 0.03 0.06 0.60 -0.75 4.34 4.27 3lcbB1 ARG 88 HB2 0.09 0.12 0.09 -0.04 1.90 2.16 3lcbB1 ARG 88 HB3 0.08 0.08 0.04 -0.04 1.80 1.97 3lcbB1 ARG 88 HG2 0.04 -0.04 0.05 -0.04 1.67 1.68 3lcbB1 ARG 88 HG3 0.03 -0.01 0.10 -0.04 1.67 1.75 3lcbB1 ARG 88 HD2 0.05 -0.04 0.00 -0.04 3.22 3.19 3lcbB1 ARG 88 HD3 0.06 0.01 -0.03 -0.04 3.22 3.22 3lcbB1 LEU 89 H -0.02 0.46 -0.27 -0.55 8.37 7.99 3lcbB1 LEU 89 HA -0.00 0.08 0.68 -0.75 4.35 4.35 3lcbB1 LEU 89 HB2 -0.23 0.15 0.13 -0.04 1.64 1.65 3lcbB1 LEU 89 HB3 -0.08 -0.10 0.11 -0.04 1.64 1.53 3lcbB1 LEU 89 HG 0.01 0.31 0.06 -0.04 1.64 1.98 3lcbB1 LEU 89 HD13 -0.06 -0.05 -0.11 -0.04 0.93 0.67 3lcbB1 LEU 89 HD23 0.01 -0.03 -0.02 -0.04 0.89 0.81 3lcbB1 LEU 90 H -0.05 0.27 -0.37 -0.55 8.37 7.67 3lcbB1 LEU 90 HA -0.01 0.02 0.32 -0.75 4.35 3.92 3lcbB1 LEU 90 HB2 -0.08 0.20 0.06 -0.04 1.64 1.78 3lcbB1 LEU 90 HB3 -0.06 -0.08 -0.02 -0.04 1.64 1.44 3lcbB1 LEU 90 HG -0.25 0.25 -0.03 -0.04 1.64 1.57 3lcbB1 LEU 90 HD13 -0.14 -0.02 -0.08 -0.04 0.93 0.65 3lcbB1 LEU 90 HD23 -0.33 -0.04 -0.08 -0.04 0.89 0.40 3lcbB1 PRO 91 HA -0.12 0.07 0.41 -0.51 4.44 4.29 3lcbB1 PRO 91 HB2 -0.03 -0.01 0.01 -0.04 2.28 2.22 3lcbB1 PRO 91 HB3 -0.05 0.01 0.05 -0.04 2.02 1.99 3lcbB1 PRO 91 HG2 -0.02 0.06 0.06 -0.04 2.03 2.08 3lcbB1 PRO 91 HG3 -0.06 0.03 0.08 -0.04 2.03 2.04 3lcbB1 PRO 91 HD2 -0.02 0.18 -0.32 -0.04 3.68 3.48 3lcbB1 PRO 91 HD3 -0.05 0.29 0.10 -0.04 3.65 3.95 3lcbB1 ASP 92 H 0.02 0.16 -0.30 -0.55 8.40 7.74 3lcbB1 ASP 92 HA -0.01 0.07 0.45 -0.75 4.63 4.39 3lcbB1 ASP 92 HB2 0.00 -0.03 0.04 -0.04 2.71 2.69 3lcbB1 ASP 92 HB3 0.04 0.08 0.01 -0.04 2.70 2.78 3lcbB1 TYR 93 H 0.17 0.21 -0.37 -0.55 8.29 7.75 3lcbB1 TYR 93 HA 0.03 0.06 0.42 -0.75 4.56 4.31 3lcbB1 TYR 93 HB2 -0.01 0.10 0.15 -0.04 3.06 3.26 3lcbB1 TYR 93 HB3 0.08 -0.11 0.01 -0.04 2.98 2.91 3lcbB1 TYR 93 HD2 0.03 -0.06 -0.16 -0.04 7.15 6.92 3lcbB1 TYR 93 HE2 0.22 -0.01 -0.03 -0.04 6.85 6.98 3lcbB1 PRO 94 HA 0.19 0.19 0.63 -0.51 4.44 4.94 3lcbB1 PRO 94 HB2 0.01 -0.03 0.06 -0.04 2.28 2.27 3lcbB1 PRO 94 HB3 0.01 0.09 0.15 -0.04 2.02 2.23 3lcbB1 PRO 94 HG2 -0.11 -0.03 0.16 -0.04 2.03 2.00 3lcbB1 PRO 94 HG3 -0.10 0.08 0.13 -0.04 2.03 2.11 3lcbB1 PRO 94 HD2 -0.50 0.02 0.26 -0.04 3.68 3.41 3lcbB1 PRO 94 HD3 -0.15 0.39 0.32 -0.04 3.65 4.17 3lcbB1 ARG 95 H 0.19 0.21 -0.04 -0.55 8.46 8.26 3lcbB1 ARG 95 HA -0.10 0.12 0.82 -0.75 4.34 4.42 3lcbB1 ARG 95 HB2 0.26 0.09 0.15 -0.04 1.90 2.35 3lcbB1 ARG 95 HB3 0.15 -0.13 0.24 -0.04 1.80 2.03 3lcbB1 ARG 95 HG2 -0.43 -0.00 0.08 -0.04 1.67 1.28 3lcbB1 ARG 95 HG3 -0.15 -0.07 0.07 -0.04 1.67 1.48 3lcbB1 ARG 95 HD2 -0.15 0.29 0.12 -0.04 3.22 3.43 3lcbB1 ARG 95 HD3 -0.07 -0.06 0.06 -0.04 3.22 3.12 3lcbB1 PHE 96 H 0.07 0.47 -0.56 -0.55 8.34 7.76 3lcbB1 PHE 96 HA -0.17 0.05 0.18 -0.75 4.62 3.92 3lcbB1 PHE 96 HB2 -0.09 -0.04 -0.02 -0.04 3.15 2.96 3lcbB1 PHE 96 HB3 0.03 0.36 0.02 -0.04 3.06 3.43 3lcbB1 PHE 96 HD2 0.02 0.11 -0.13 -0.04 7.28 7.23 3lcbB1 PHE 96 HE2 0.15 0.02 -0.05 -0.04 7.38 7.45 3lcbB1 PHE 96 HZ 0.14 0.11 -0.09 -0.04 7.32 7.44 3lcbB1 GLU 97 H -0.91 0.15 -0.17 -0.55 8.60 7.13 3lcbB1 GLU 97 HA -0.11 0.11 0.38 -0.75 4.29 3.91 3lcbB1 GLU 97 HB2 -0.04 0.04 0.03 -0.04 2.09 2.08 3lcbB1 GLU 97 HB3 -0.50 0.09 0.08 -0.04 1.99 1.62 3lcbB1 GLU 97 HG2 -0.81 -0.00 -0.06 -0.04 2.34 1.42 3lcbB1 GLU 97 HG3 -0.18 0.04 -0.00 -0.04 2.34 2.16 3lcbB1 ILE 98 H -0.52 0.16 -0.17 -0.55 8.25 7.17 3lcbB1 ILE 98 HA -0.41 0.04 0.49 -0.75 4.18 3.55 3lcbB1 ILE 98 HB -0.27 0.13 0.06 -0.04 1.89 1.77 3lcbB1 ILE 98 HG12 -1.08 -0.02 -0.01 -0.04 1.49 0.33 3lcbB1 ILE 98 HG13 -0.53 -0.06 0.06 -0.04 1.21 0.63 3lcbB1 ILE 98 HG23 0.07 -0.00 0.01 -0.04 0.93 0.97 3lcbB1 ILE 98 HD13 -0.23 0.02 0.04 -0.04 0.88 0.66 3lcbB1 ALA 99 H -0.71 0.50 -0.12 -0.55 8.40 7.52 3lcbB1 ALA 99 HA -1.34 0.00 0.50 -0.75 4.34 2.75 3lcbB1 ALA 99 HB3 -0.61 0.05 0.05 -0.04 1.41 0.86 3lcbB1 GLU 100 H -0.26 0.40 -0.43 -0.55 8.60 7.76 3lcbB1 GLU 100 HA -0.37 0.04 0.49 -0.75 4.29 3.70 3lcbB1 GLU 100 HB2 -0.14 0.21 0.20 -0.04 2.09 2.32 3lcbB1 GLU 100 HB3 -0.29 -0.02 0.02 -0.04 1.99 1.66 3lcbB1 GLU 100 HG2 -1.21 -0.03 0.01 -0.04 2.34 1.07 3lcbB1 GLU 100 HG3 -0.26 0.26 0.03 -0.04 2.34 2.32 3lcbB1 SER 101 H -0.00 0.31 -0.04 -0.55 8.46 8.17 3lcbB1 SER 101 HA 0.09 0.08 0.56 -0.75 4.49 4.46 3lcbB1 SER 101 HB2 0.18 0.06 0.17 -0.04 3.95 4.32 3lcbB1 SER 101 HB3 0.15 -0.00 -0.04 -0.04 3.93 3.99 3lcbB1 PHE 102 H 0.14 0.65 -0.12 -0.55 8.34 8.46 3lcbB1 PHE 102 HA 0.14 -0.02 0.33 -0.75 4.62 4.32 3lcbB1 PHE 102 HB2 0.05 0.02 0.12 -0.04 3.15 3.29 3lcbB1 PHE 102 HB3 -0.04 0.14 0.11 -0.04 3.06 3.23 3lcbB1 PHE 102 HD2 -0.11 0.00 -0.14 -0.04 7.28 6.99 3lcbB1 PHE 102 HE2 -0.09 0.01 -0.03 -0.04 7.38 7.23 3lcbB1 PHE 102 HZ 0.02 0.10 -0.33 -0.04 7.32 7.07 3lcbB1 PHE 103 H 0.23 0.43 -0.33 -0.55 8.34 8.12 3lcbB1 PHE 103 HA -0.10 0.01 0.44 -0.75 4.62 4.21 3lcbB1 PHE 103 HB2 -0.50 0.10 0.15 -0.04 3.15 2.85 3lcbB1 PHE 103 HB3 -0.04 0.19 0.18 -0.04 3.06 3.35 3lcbB1 PHE 103 HD2 -1.20 -0.01 -0.18 -0.04 7.28 5.85 3lcbB1 PHE 103 HE2 -0.20 0.08 0.01 -0.04 7.38 7.23 3lcbB1 PHE 103 HZ -0.14 0.02 -0.03 -0.04 7.32 7.13 3lcbB1 ASN 104 H 0.21 0.47 -0.17 -0.55 8.53 8.49 3lcbB1 ASN 104 HA 0.11 -0.04 0.34 -0.75 4.76 4.42 3lcbB1 ASN 104 HB2 0.07 0.16 0.18 -0.04 2.88 3.25 3lcbB1 ASN 104 HB3 0.00 -0.03 -0.05 -0.04 2.79 2.67 3lcbB1 ASN 104 HD21 0.11 0.24 -0.29 -0.04 7.03 7.05 3lcbB1 ASN 104 HD22 0.05 -0.04 -0.10 -0.04 7.74 7.61 3lcbB1 SER 105 H -0.00 0.60 -0.12 -0.55 8.46 8.39 3lcbB1 SER 105 HA -0.05 0.02 0.44 -0.75 4.49 4.15 3lcbB1 SER 105 HB2 -0.19 0.13 0.10 -0.04 3.95 3.95 3lcbB1 SER 105 HB3 0.02 -0.05 0.01 -0.04 3.93 3.87 3lcbB1 VAL 106 H -0.24 0.46 -0.26 -0.55 8.24 7.65 3lcbB1 VAL 106 HA -0.20 0.04 0.47 -0.75 4.13 3.68 3lcbB1 VAL 106 HB -0.33 0.18 0.23 -0.04 2.12 2.16 3lcbB1 VAL 106 HG13 -0.19 -0.02 -0.12 -0.04 0.97 0.60 3lcbB1 VAL 106 HG23 -0.36 0.04 0.07 -0.04 0.95 0.66 3lcbB1 TYR 107 H -0.17 0.61 0.06 -0.55 8.29 8.24 3lcbB1 TYR 107 HA -0.46 0.01 0.43 -0.75 4.56 3.80 3lcbB1 TYR 107 HB2 -0.39 0.01 0.09 -0.04 3.06 2.74 3lcbB1 TYR 107 HB3 -0.22 0.04 0.14 -0.04 2.98 2.90 3lcbB1 TYR 107 HD2 -0.33 0.03 -0.29 -0.04 7.15 6.52 3lcbB1 TYR 107 HE2 -0.16 0.02 -0.16 -0.04 6.85 6.51 3lcbB1 CYS 108 H -0.04 0.69 -0.13 -0.55 8.50 8.47 3lcbB1 CYS 108 HA -0.11 -0.03 0.42 -0.75 4.58 4.10 3lcbB1 CYS 108 HB2 -0.29 0.12 0.11 -0.04 2.97 2.86 3lcbB1 CYS 108 HB3 -1.18 -0.04 0.00 -0.04 2.97 1.70 3lcbB1 ARG 109 H -0.18 0.43 -0.33 -0.55 8.46 7.84 3lcbB1 ARG 109 HA -0.07 0.02 0.54 -0.75 4.34 4.07 3lcbB1 ARG 109 HB2 -0.11 0.16 0.25 -0.04 1.90 2.16 3lcbB1 ARG 109 HB3 -0.06 -0.03 -0.03 -0.04 1.80 1.64 3lcbB1 ARG 109 HG2 -0.01 -0.04 0.02 -0.04 1.67 1.61 3lcbB1 ARG 109 HG3 -0.04 -0.05 -0.05 -0.04 1.67 1.49 3lcbB1 ARG 109 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 3lcbB1 ARG 109 HD3 0.03 -0.02 0.02 -0.04 3.22 3.21 3lcbB1 LEU 110 H -0.12 0.52 -0.03 -0.55 8.37 8.20 3lcbB1 LEU 110 HA 0.02 0.05 0.53 -0.75 4.35 4.20 3lcbB1 LEU 110 HB2 -0.09 0.09 0.16 -0.04 1.64 1.76 3lcbB1 LEU 110 HB3 0.15 -0.04 0.02 -0.04 1.64 1.73 3lcbB1 LEU 110 HG -0.07 0.05 0.05 -0.04 1.64 1.63 3lcbB1 LEU 110 HD13 -0.08 -0.03 -0.06 -0.04 0.93 0.72 3lcbB1 LEU 110 HD23 0.01 -0.01 0.01 -0.04 0.89 0.87 3lcbB1 PHE 111 H 0.04 0.37 -0.23 -0.55 8.34 7.97 3lcbB1 PHE 111 HA -0.13 0.14 0.58 -0.75 4.62 4.45 3lcbB1 PHE 111 HB2 -0.26 0.01 0.07 -0.04 3.15 2.94 3lcbB1 PHE 111 HB3 -0.13 0.03 0.14 -0.04 3.06 3.06 3lcbB1 PHE 111 HD2 -0.25 0.02 -0.26 -0.04 7.28 6.75 3lcbB1 PHE 111 HE2 -0.18 -0.04 -0.03 -0.04 7.38 7.10 3lcbB1 PHE 111 HZ -0.19 -0.08 -0.01 -0.04 7.32 6.99 3lcbB1 ASP 112 H 0.05 0.27 -0.55 -0.55 8.40 7.62 3lcbB1 ASP 112 HA 0.11 0.05 0.29 -0.75 4.63 4.32 3lcbB1 ASP 112 HB2 0.04 0.05 -0.18 -0.04 2.71 2.58 3lcbB1 ASP 112 HB3 0.07 -0.04 0.22 -0.04 2.70 2.91 3lcbB1 HIS 113 H -0.06 0.58 -0.03 -0.55 8.41 8.35 3lcbB1 HIS 113 HA 0.09 -0.09 0.24 -0.75 4.63 4.12 3lcbB1 HIS 113 HB2 0.05 0.12 -0.18 -0.04 3.26 3.21 3lcbB1 HIS 113 HB3 0.05 0.10 0.13 -0.04 3.20 3.43 3lcbB1 HIS 113 HD2 0.03 -0.01 -0.22 -0.04 6.97 6.72 3lcbB1 HIS 113 HE1 -0.04 -0.04 -0.03 -0.04 7.75 7.59 3lcbB1 ARG 114 H 0.19 0.16 -0.28 -0.55 8.46 7.98 3lcbB1 ARG 114 HA 0.12 0.13 0.93 -0.75 4.34 4.76 3lcbB1 ARG 114 HB2 0.08 0.43 -0.02 -0.04 1.90 2.35 3lcbB1 ARG 114 HB3 0.06 -0.10 -0.10 -0.04 1.80 1.62 3lcbB1 ARG 114 HG2 0.06 -0.11 0.01 -0.04 1.67 1.59 3lcbB1 ARG 114 HG3 0.08 0.19 -0.23 -0.04 1.67 1.67 3lcbB1 ARG 114 HD2 0.02 -0.07 -0.03 -0.04 3.22 3.10 3lcbB1 ARG 114 HD3 0.02 0.06 -0.04 -0.04 3.22 3.22 3lcbB1 SER 115 H 0.10 0.15 0.09 -0.55 8.46 8.25 3lcbB1 SER 115 HA 0.10 -0.01 0.28 -0.75 4.49 4.10 3lcbB1 SER 115 HB2 0.18 0.18 -0.06 -0.04 3.95 4.20 3lcbB1 SER 115 HB3 0.13 -0.05 0.13 -0.04 3.93 4.10 3lcbB1 LEU 116 H 0.10 0.13 -0.17 -0.55 8.37 7.89 3lcbB1 LEU 116 HA 0.08 0.19 0.90 -0.75 4.35 4.76 3lcbB1 LEU 116 HB2 -0.12 -0.03 -0.12 -0.04 1.64 1.33 3lcbB1 LEU 116 HB3 0.06 0.06 -0.18 -0.04 1.64 1.54 3lcbB1 LEU 116 HG 0.00 -0.04 0.02 -0.04 1.64 1.58 3lcbB1 LEU 116 HD13 -0.10 0.00 -0.08 -0.04 0.93 0.71 3lcbB1 LEU 116 HD23 0.11 0.01 -0.35 -0.04 0.89 0.62 3lcbB1 THR 117 H 0.01 0.22 0.11 -0.55 8.28 8.08 3lcbB1 THR 117 HA 0.01 0.27 0.85 -0.75 4.39 4.77 3lcbB1 THR 117 HB 0.02 0.05 0.11 -0.04 4.32 4.46 3lcbB1 THR 117 HG23 0.05 0.04 -0.15 -0.04 1.22 1.12 3lcbB1 PRO 118 HA -0.06 0.09 0.47 -0.51 4.44 4.43 3lcbB1 PRO 118 HB2 0.08 0.08 -0.04 -0.04 2.28 2.36 3lcbB1 PRO 118 HB3 0.18 0.02 0.10 -0.04 2.02 2.28 3lcbB1 PRO 118 HG2 0.05 0.02 0.07 -0.04 2.03 2.12 3lcbB1 PRO 118 HG3 0.12 0.09 0.06 -0.04 2.03 2.26 3lcbB1 PRO 118 HD2 0.03 0.08 0.24 -0.04 3.68 3.99 3lcbB1 PRO 118 HD3 0.04 0.19 0.15 -0.04 3.65 3.99 3lcbB1 GLU 119 H -0.03 0.01 -0.40 -0.55 8.60 7.63 3lcbB1 GLU 119 HA -0.09 0.16 0.55 -0.75 4.29 4.16 3lcbB1 GLU 119 HB2 -0.02 -0.04 0.00 -0.04 2.09 1.99 3lcbB1 GLU 119 HB3 -0.03 0.02 0.03 -0.04 1.99 1.97 3lcbB1 GLU 119 HG2 -0.01 0.01 -0.01 -0.04 2.34 2.29 3lcbB1 GLU 119 HG3 -0.02 0.05 -0.04 -0.04 2.34 2.28 3lcbB1 ARG 120 H -0.11 0.33 -0.18 -0.55 8.46 7.95 3lcbB1 ARG 120 HA -0.04 0.12 0.66 -0.75 4.34 4.33 3lcbB1 ARG 120 HB2 -0.05 -0.06 0.17 -0.04 1.90 1.93 3lcbB1 ARG 120 HB3 0.25 0.03 0.06 -0.04 1.80 2.10 3lcbB1 ARG 120 HG2 0.12 0.01 -0.06 -0.04 1.67 1.69 3lcbB1 ARG 120 HG3 0.04 -0.15 -0.09 -0.04 1.67 1.44 3lcbB1 ARG 120 HD2 0.13 -0.05 0.01 -0.04 3.22 3.26 3lcbB1 ARG 120 HD3 0.17 0.00 0.09 -0.04 3.22 3.44 3lcbB1 LEU 121 H -0.32 0.39 0.09 -0.55 8.37 7.98 3lcbB1 LEU 121 HA -0.48 0.16 0.42 -0.75 4.35 3.69 3lcbB1 LEU 121 HB2 -0.23 -0.11 0.07 -0.04 1.64 1.33 3lcbB1 LEU 121 HB3 -1.06 0.12 -0.07 -0.04 1.64 0.59 3lcbB1 LEU 121 HG -0.60 -0.03 -0.17 -0.04 1.64 0.81 3lcbB1 LEU 121 HD13 -0.17 -0.04 -0.36 -0.04 0.93 0.33 3lcbB1 LEU 121 HD23 -0.67 0.01 -0.11 -0.04 0.89 0.08 3lcbB1 PHE 122 H -0.08 0.14 0.02 -0.55 8.34 7.87 3lcbB1 PHE 122 HA -0.12 0.24 0.45 -0.75 4.62 4.44 3lcbB1 PHE 122 HB2 -0.12 0.05 0.12 -0.04 3.15 3.15 3lcbB1 PHE 122 HB3 -0.06 -0.01 0.05 -0.04 3.06 3.00 3lcbB1 PHE 122 HD2 -0.41 0.02 0.07 -0.04 7.28 6.92 3lcbB1 PHE 122 HE2 -1.10 0.00 0.01 -0.04 7.38 6.25 3lcbB1 PHE 122 HZ -0.19 0.08 -0.00 -0.04 7.32 7.16 3lcbB1 ILE 123 H -0.09 0.43 -0.20 -0.55 8.25 7.84 3lcbB1 ILE 123 HA -0.04 0.04 0.34 -0.75 4.18 3.77 3lcbB1 ILE 123 HB -0.02 0.01 0.01 -0.04 1.89 1.85 3lcbB1 ILE 123 HG12 -0.08 -0.05 -0.00 -0.04 1.49 1.32 3lcbB1 ILE 123 HG13 -0.81 0.05 -0.48 -0.04 1.21 -0.07 3lcbB1 ILE 123 HG23 -0.08 0.04 -0.24 -0.04 0.93 0.60 3lcbB1 ILE 123 HD13 -0.11 0.00 -0.05 -0.04 0.88 0.68 3lcbB1 PHE 124 H 0.09 0.16 -0.19 -0.55 8.34 7.85 3lcbB1 PHE 124 HA 0.06 0.13 0.73 -0.75 4.62 4.79 3lcbB1 PHE 124 HB2 0.02 -0.01 -0.02 -0.04 3.15 3.10 3lcbB1 PHE 124 HB3 0.04 0.09 -0.06 -0.04 3.06 3.09 3lcbB1 PHE 124 HD2 0.01 -0.03 0.00 -0.04 7.28 7.22 3lcbB1 PHE 124 HE2 -0.02 -0.02 -0.03 -0.04 7.38 7.27 3lcbB1 PHE 124 HZ -0.06 0.01 -0.05 -0.04 7.32 7.18 3lcbB1 SER 125 H 0.26 0.10 0.05 -0.55 8.46 8.32 3lcbB1 SER 125 HA 0.20 0.03 0.47 -0.75 4.49 4.42 3lcbB1 SER 125 HB2 0.17 -0.02 0.09 -0.04 3.95 4.16 3lcbB1 SER 125 HB3 0.18 0.02 0.11 -0.04 3.93 4.20 3lcbB1 SER 126 H 0.21 0.11 0.15 -0.55 8.46 8.38 3lcbB1 SER 126 HA 0.11 0.16 0.54 -0.75 4.49 4.55 3lcbB1 SER 126 HB2 0.13 0.01 0.13 -0.04 3.95 4.18 3lcbB1 SER 126 HB3 0.35 0.04 0.07 -0.04 3.93 4.35 3lcbB1 GLN 127 H 0.10 0.04 -0.37 -0.55 8.47 7.69 3lcbB1 GLN 127 HA -0.06 0.24 0.89 -0.75 4.36 4.68 3lcbB1 GLN 127 HB2 -0.26 -0.09 -0.16 -0.04 2.15 1.59 3lcbB1 GLN 127 HB3 -0.51 -0.04 -0.07 -0.04 2.02 1.36 3lcbB1 GLN 127 HG2 -0.71 0.05 -0.06 -0.04 2.40 1.64 3lcbB1 GLN 127 HG3 -0.24 0.04 0.09 -0.04 2.39 2.25 3lcbB1 GLN 127 HE21 -0.16 -0.03 -0.14 -0.04 6.97 6.61 3lcbB1 GLN 127 HE22 -0.15 0.05 -0.10 -0.04 7.69 7.45 3lcbB1 PRO 128 HA 0.06 -0.04 0.39 -0.51 4.44 4.34 3lcbB1 PRO 128 HB2 0.14 0.08 -0.01 -0.04 2.28 2.44 3lcbB1 PRO 128 HB3 0.09 0.00 0.07 -0.04 2.02 2.14 3lcbB1 PRO 128 HG2 -0.00 0.05 0.07 -0.04 2.03 2.10 3lcbB1 PRO 128 HG3 0.01 0.02 0.07 -0.04 2.03 2.10 3lcbB1 PRO 128 HD2 -0.09 0.11 0.22 -0.04 3.68 3.88 3lcbB1 PRO 128 HD3 -0.02 0.18 0.11 -0.04 3.65 3.88 3lcbB1 GLU 129 H 0.06 0.04 0.13 -0.55 8.60 8.28 3lcbB1 GLU 129 HA 0.08 0.08 0.29 -0.75 4.29 3.98 3lcbB1 GLU 129 HB2 0.01 0.03 0.09 -0.04 2.09 2.18 3lcbB1 GLU 129 HB3 -0.02 -0.12 0.10 -0.04 1.99 1.91 3lcbB1 GLU 129 HG2 0.04 0.02 0.07 -0.04 2.34 2.43 3lcbB1 GLU 129 HG3 0.02 0.02 0.05 -0.04 2.34 2.39 3lcbB1 ARG 130 H -0.11 0.05 0.13 -0.55 8.46 7.98 3lcbB1 ARG 130 HA -0.94 0.21 0.11 -0.75 4.34 2.98 3lcbB1 ARG 130 HB2 -0.11 -0.04 0.10 -0.04 1.90 1.81 3lcbB1 ARG 130 HB3 -0.20 0.01 -0.03 -0.04 1.80 1.55 3lcbB1 ARG 130 HG2 0.03 0.01 0.00 -0.04 1.67 1.67 3lcbB1 ARG 130 HG3 -0.02 -0.06 0.02 -0.04 1.67 1.56 3lcbB1 ARG 130 HD2 0.21 0.15 -0.05 -0.04 3.22 3.49 3lcbB1 ARG 130 HD3 -0.08 -0.08 0.01 -0.04 3.22 3.03 3lcbB1 ARG 131 H -0.24 0.01 -0.12 -0.55 8.46 7.56 3lcbB1 ARG 131 HA -0.12 0.01 0.41 -0.75 4.34 3.88 3lcbB1 ARG 131 HB2 -0.04 0.00 0.10 -0.04 1.90 1.92 3lcbB1 ARG 131 HB3 -0.02 0.06 0.01 -0.04 1.80 1.82 3lcbB1 ARG 131 HG2 -0.08 -0.14 0.06 -0.04 1.67 1.46 3lcbB1 ARG 131 HG3 -0.03 0.02 0.02 -0.04 1.67 1.63 3lcbB1 ARG 131 HD2 -0.02 0.05 -0.01 -0.04 3.22 3.21 3lcbB1 ARG 131 HD3 -0.04 0.00 -0.02 -0.04 3.22 3.13 3lcbB1 PHE 132 H 0.07 0.08 0.20 -0.55 8.34 8.14 3lcbB1 PHE 132 HA 0.04 0.26 0.85 -0.75 4.62 5.02 3lcbB1 PHE 132 HB2 0.06 -0.00 0.01 -0.04 3.15 3.18 3lcbB1 PHE 132 HB3 0.05 -0.15 0.02 -0.04 3.06 2.93 3lcbB1 PHE 132 HD2 0.07 -0.02 -0.10 -0.04 7.28 7.19 3lcbB1 PHE 132 HE2 0.15 -0.04 -0.07 -0.04 7.38 7.37 3lcbB1 PHE 132 HZ 0.14 0.06 -0.14 -0.04 7.32 7.34 3lcbB1 ARG 133 H 0.18 0.00 0.11 -0.55 8.46 8.19 3lcbB1 ARG 133 HA 0.09 0.09 0.47 -0.75 4.34 4.23 3lcbB1 ARG 133 HB2 0.03 0.02 0.01 -0.04 1.90 1.92 3lcbB1 ARG 133 HB3 0.04 0.01 0.10 -0.04 1.80 1.91 3lcbB1 ARG 133 HG2 -0.02 -0.02 0.12 -0.04 1.67 1.71 3lcbB1 ARG 133 HG3 -0.04 0.02 0.04 -0.04 1.67 1.65 3lcbB1 ARG 133 HD2 -0.14 0.04 0.06 -0.04 3.22 3.13 3lcbB1 ARG 133 HD3 0.02 0.00 0.20 -0.04 3.22 3.40 3lcbB1 THR 134 H 0.06 0.16 0.01 -0.55 8.28 7.96 3lcbB1 THR 134 HA 0.07 0.08 0.53 -0.75 4.39 4.32 3lcbB1 THR 134 HB 0.02 -0.06 -0.10 -0.04 4.32 4.14 3lcbB1 THR 134 HG23 0.03 0.00 -0.21 -0.04 1.22 1.01 3lcbB1 ILE 135 H 0.07 0.14 0.05 -0.55 8.25 7.96 3lcbB1 ILE 135 HA 0.07 0.14 0.64 -0.75 4.18 4.27 3lcbB1 ILE 135 HB 0.09 -0.02 0.03 -0.04 1.89 1.95 3lcbB1 ILE 135 HG12 0.03 -0.02 -0.08 -0.04 1.49 1.38 3lcbB1 ILE 135 HG13 0.03 -0.08 -0.43 -0.04 1.21 0.69 3lcbB1 ILE 135 HG23 0.07 -0.01 0.01 -0.04 0.93 0.96 3lcbB1 ILE 135 HD13 0.05 -0.00 0.04 -0.04 0.88 0.92 3lcbB1 PRO 136 HA 0.01 0.05 0.34 -0.51 4.44 4.33 3lcbB1 PRO 136 HB2 0.01 -0.01 0.06 -0.04 2.28 2.30 3lcbB1 PRO 136 HB3 -0.00 0.03 0.07 -0.04 2.02 2.08 3lcbB1 PRO 136 HG2 0.02 0.00 0.10 -0.04 2.03 2.11 3lcbB1 PRO 136 HG3 0.00 0.07 0.11 -0.04 2.03 2.18 3lcbB1 PRO 136 HD2 0.05 0.03 0.24 -0.04 3.68 3.95 3lcbB1 PRO 136 HD3 0.03 0.26 0.26 -0.04 3.65 4.17 3lcbB1 ARG 137 H 0.01 0.15 -0.16 -0.55 8.46 7.91 3lcbB1 ARG 137 HA 0.01 0.20 0.68 -0.75 4.34 4.47 3lcbB1 ARG 137 HB2 0.01 -0.03 -0.04 -0.04 1.90 1.80 3lcbB1 ARG 137 HB3 0.01 0.05 0.06 -0.04 1.80 1.88 3lcbB1 ARG 137 HG2 0.01 0.09 -0.11 -0.04 1.67 1.61 3lcbB1 ARG 137 HG3 0.01 -0.17 -0.47 -0.04 1.67 1.00 3lcbB1 ARG 137 HD2 0.01 -0.02 -0.06 -0.04 3.22 3.11 3lcbB1 ARG 137 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.11 3lcbB1 PRO 138 HA 0.00 -0.05 0.39 -0.51 4.44 4.28 3lcbB1 PRO 138 HB2 -0.00 0.06 0.05 -0.04 2.28 2.35 3lcbB1 PRO 138 HB3 0.01 0.08 0.16 -0.04 2.02 2.23 3lcbB1 PRO 138 HG2 0.01 0.04 0.10 -0.04 2.03 2.14 3lcbB1 PRO 138 HG3 0.02 0.03 0.10 -0.04 2.03 2.14 3lcbB1 PRO 138 HD2 0.01 0.10 0.18 -0.04 3.68 3.93 3lcbB1 PRO 138 HD3 0.01 0.19 0.17 -0.04 3.65 3.98 3lcbB1 LEU 139 H -0.07 0.09 0.22 -0.55 8.37 8.06 3lcbB1 LEU 139 HA -0.11 0.17 0.76 -0.75 4.35 4.41 3lcbB1 LEU 139 HB2 -0.39 0.00 0.04 -0.04 1.64 1.25 3lcbB1 LEU 139 HB3 -0.34 -0.01 0.11 -0.04 1.64 1.36 3lcbB1 LEU 139 HG -0.05 0.06 0.01 -0.04 1.64 1.62 3lcbB1 LEU 139 HD13 -0.02 -0.03 -0.14 -0.04 0.93 0.70 3lcbB1 LEU 139 HD23 -0.06 -0.00 0.01 -0.04 0.89 0.80 3lcbB1 ALA 140 H -0.09 0.08 0.04 -0.55 8.40 7.88 3lcbB1 ALA 140 HA -0.09 0.19 0.88 -0.75 4.34 4.57 3lcbB1 ALA 140 HB3 -0.14 0.00 -0.30 -0.04 1.41 0.93 3lcbB1 LYS 141 H 0.15 0.72 0.21 -0.55 8.42 8.95 3lcbB1 LYS 141 HA 0.01 0.08 0.89 -0.75 4.32 4.55 3lcbB1 LYS 141 HB2 0.08 -0.02 -0.05 -0.04 1.87 1.84 3lcbB1 LYS 141 HB3 0.30 0.03 0.07 -0.04 1.79 2.15 3lcbB1 LYS 141 HG2 -0.34 0.13 0.05 -0.04 1.46 1.26 3lcbB1 LYS 141 HG3 -0.09 -0.05 0.06 -0.04 1.46 1.33 3lcbB1 LYS 141 HD2 -0.42 0.04 -0.03 -0.04 1.69 1.24 3lcbB1 LYS 141 HD3 -0.27 -0.03 0.01 -0.04 1.68 1.35 3lcbB1 LYS 141 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 3lcbB1 LYS 141 HE3 0.11 0.01 -0.04 -0.04 2.99 3.04 3lcbB1 ASP 142 H -0.03 0.09 0.15 -0.55 8.40 8.07 3lcbB1 ASP 142 HA 0.13 0.15 0.73 -0.75 4.63 4.89 3lcbB1 ASP 142 HB2 0.02 -0.04 0.12 -0.04 2.71 2.78 3lcbB1 ASP 142 HB3 0.04 0.02 -0.00 -0.04 2.70 2.72 3lcbB1 PHE 143 H 0.09 0.56 0.27 -0.55 8.34 8.70 3lcbB1 PHE 143 HA -0.05 0.11 0.83 -0.75 4.62 4.74 3lcbB1 PHE 143 HB2 -0.10 -0.03 0.11 -0.04 3.15 3.09 3lcbB1 PHE 143 HB3 -0.15 -0.02 -0.02 -0.04 3.06 2.83 3lcbB1 PHE 143 HD2 -0.03 0.03 -0.17 -0.04 7.28 7.08 3lcbB1 PHE 143 HE2 0.01 0.08 -0.03 -0.04 7.38 7.39 3lcbB1 PHE 143 HZ 0.02 -0.00 0.00 -0.04 7.32 7.30 3lcbB1 HIS 144 H 0.03 0.19 0.14 -0.55 8.41 8.22 3lcbB1 HIS 144 HA -0.11 0.26 0.96 -0.75 4.63 4.98 3lcbB1 HIS 144 HB2 -0.12 -0.01 0.10 -0.04 3.26 3.18 3lcbB1 HIS 144 HB3 -0.15 -0.02 0.03 -0.04 3.20 3.01 3lcbB1 HIS 144 HD2 -0.11 -0.01 -0.13 -0.04 6.97 6.68 3lcbB1 HIS 144 HE1 -0.83 0.03 -0.06 -0.04 7.75 6.84 3lcbB1 PRO 145 HA -0.48 0.21 0.18 -0.51 4.44 3.84 3lcbB1 PRO 145 HB2 -0.73 -0.18 -0.06 -0.04 2.28 1.28 3lcbB1 PRO 145 HB3 -2.22 -0.03 0.03 -0.04 2.02 -0.24 3lcbB1 PRO 145 HG2 -0.12 0.02 -0.03 -0.04 2.03 1.86 3lcbB1 PRO 145 HG3 -0.16 0.40 0.09 -0.04 2.03 2.33 3lcbB1 PRO 145 HD2 -0.02 0.04 0.13 -0.04 3.68 3.78 3lcbB1 PRO 145 HD3 -0.21 0.21 0.31 -0.04 3.65 3.92 3lcbB1 ASP 146 H -0.10 0.05 -0.48 -0.55 8.40 7.33 3lcbB1 ASP 146 HA -0.11 -0.07 0.41 -0.75 4.63 4.10 3lcbB1 ASP 146 HB2 -0.16 -0.02 -0.04 -0.04 2.71 2.46 3lcbB1 ASP 146 HB3 -0.12 0.00 0.05 -0.04 2.70 2.59 3lcbB1 HIS 147 H -0.14 0.00 0.17 -0.55 8.41 7.90 3lcbB1 HIS 147 HA -0.01 -0.10 0.39 -0.75 4.63 4.16 3lcbB1 HIS 147 HB2 -0.03 0.21 0.11 -0.04 3.26 3.52 3lcbB1 HIS 147 HB3 -0.02 -0.03 0.22 -0.04 3.20 3.34 3lcbB1 HIS 147 HD2 -0.02 0.03 -0.03 -0.04 6.97 6.91 3lcbB1 HIS 147 HE1 -0.00 -0.02 0.02 -0.04 7.75 7.70 3lcbB1 GLY 148 H 0.06 0.04 0.04 -0.55 8.43 8.03 3lcbB1 GLY 148 HA2 0.09 -0.11 0.37 -0.51 4.01 3.85 3lcbB1 GLY 148 HA3 0.06 0.09 0.31 -0.51 4.01 3.96 3lcbB1 TRP 149 H 0.27 0.13 0.16 -0.55 7.97 7.98 3lcbB1 TRP 149 HA 0.03 0.27 0.74 -0.75 4.62 4.90 3lcbB1 TRP 149 HB2 0.02 -0.04 0.13 -0.04 3.23 3.29 3lcbB1 TRP 149 HB3 0.02 0.01 -0.07 -0.04 3.23 3.14 3lcbB1 TRP 149 HD1 0.03 -0.08 -0.06 -0.04 7.22 7.06 3lcbB1 TRP 149 HE1 0.04 0.42 -0.06 -0.04 10.20 10.56 3lcbB1 TRP 149 HE3 -0.00 -0.14 -0.01 -0.04 7.59 7.39 3lcbB1 TRP 149 HZ2 0.01 0.19 -0.36 -0.04 7.44 7.24 3lcbB1 TRP 149 HZ3 -0.16 -0.03 -0.10 -0.04 7.13 6.80 3lcbB1 TRP 149 HH2 -0.14 -0.04 -0.19 -0.04 7.19 6.78 3lcbB1 GLU 150 H 0.19 0.10 0.08 -0.55 8.60 8.42 3lcbB1 GLU 150 HA 0.10 0.12 0.56 -0.75 4.29 4.31 3lcbB1 GLU 150 HB2 0.05 0.04 -0.02 -0.04 2.09 2.11 3lcbB1 GLU 150 HB3 0.02 0.04 0.09 -0.04 1.99 2.10 3lcbB1 GLU 150 HG2 0.04 0.03 0.01 -0.04 2.34 2.38 3lcbB1 GLU 150 HG3 0.07 -0.05 0.08 -0.04 2.34 2.39 3lcbB1 SER 151 H 0.07 -0.10 -0.85 -0.55 8.46 7.03 3lcbB1 SER 151 HA 0.02 0.08 0.66 -0.75 4.49 4.49 3lcbB1 SER 151 HB2 0.03 0.49 0.31 -0.04 3.95 4.73 3lcbB1 SER 151 HB3 0.01 0.02 0.18 -0.04 3.93 4.10 3lcbB1 LEU 152 H 0.05 0.10 -0.49 -0.55 8.37 7.49 3lcbB1 LEU 152 HA -0.02 0.25 0.69 -0.75 4.35 4.53 3lcbB1 LEU 152 HB2 -0.32 0.23 -0.02 -0.04 1.64 1.49 3lcbB1 LEU 152 HB3 -0.25 -0.06 0.13 -0.04 1.64 1.41 3lcbB1 LEU 152 HG -0.20 -0.06 -0.27 -0.04 1.64 1.07 3lcbB1 LEU 152 HD13 0.07 0.06 -0.15 -0.04 0.93 0.86 3lcbB1 LEU 152 HD23 -1.12 -0.01 -0.24 -0.04 0.89 -0.52 3lcbB1 LEU 153 H 0.08 0.23 0.04 -0.55 8.37 8.17 3lcbB1 LEU 153 HA -0.03 0.22 0.60 -0.75 4.35 4.38 3lcbB1 LEU 153 HB2 0.08 -0.02 0.05 -0.04 1.64 1.70 3lcbB1 LEU 153 HB3 0.08 0.02 -0.01 -0.04 1.64 1.69 3lcbB1 LEU 153 HG 0.29 0.02 -0.01 -0.04 1.64 1.90 3lcbB1 LEU 153 HD13 0.22 0.00 -0.02 -0.04 0.93 1.08 3lcbB1 LEU 153 HD23 0.26 0.02 -0.08 -0.04 0.89 1.04 3lcbB1 MET 154 H -0.00 0.22 -0.08 -0.55 8.47 8.05 3lcbB1 MET 154 HA -0.11 0.06 0.54 -0.75 4.52 4.26 3lcbB1 MET 154 HB2 -0.02 0.06 0.04 -0.04 2.15 2.19 3lcbB1 MET 154 HB3 -0.04 0.07 -0.10 -0.04 2.03 1.93 3lcbB1 MET 154 HG2 -0.07 -0.04 0.03 -0.04 2.63 2.51 3lcbB1 MET 154 HG3 -0.04 0.07 0.04 -0.04 2.56 2.59 3lcbB1 MET 154 HE3 -0.07 -0.02 -0.01 -0.04 2.10 1.97 3lcbB1 ARG 155 H -0.00 0.15 -0.66 -0.55 8.46 7.40 3lcbB1 ARG 155 HA 0.03 0.09 0.62 -0.75 4.34 4.33 3lcbB1 ARG 155 HB2 0.17 0.07 0.06 -0.04 1.90 2.16 3lcbB1 ARG 155 HB3 0.06 -0.01 -0.03 -0.04 1.80 1.78 3lcbB1 ARG 155 HG2 0.09 0.41 -0.22 -0.04 1.67 1.91 3lcbB1 ARG 155 HG3 0.07 0.14 -0.06 -0.04 1.67 1.77 3lcbB1 ARG 155 HD2 0.02 0.23 -0.32 -0.04 3.22 3.11 3lcbB1 ARG 155 HD3 0.01 -0.25 -0.29 -0.04 3.22 2.64 3lcbB1 VAL 156 H -0.08 0.18 -0.50 -0.55 8.24 7.29 3lcbB1 VAL 156 HA -0.18 0.23 0.66 -0.75 4.13 4.09 3lcbB1 VAL 156 HB -0.37 0.02 0.10 -0.04 2.12 1.82 3lcbB1 VAL 156 HG13 -0.78 0.06 -0.02 -0.04 0.97 0.19 3lcbB1 VAL 156 HG23 -0.04 0.01 -0.06 -0.04 0.95 0.82 3lcbB1 ILE 157 H -0.10 0.12 -0.11 -0.55 8.25 7.62 3lcbB1 ILE 157 HA -0.07 0.19 0.78 -0.75 4.18 4.33 3lcbB1 ILE 157 HB -0.30 -0.06 0.19 -0.04 1.89 1.67 3lcbB1 ILE 157 HG12 -0.25 0.04 -0.04 -0.04 1.49 1.20 3lcbB1 ILE 157 HG13 -0.12 0.05 -0.13 -0.04 1.21 0.97 3lcbB1 ILE 157 HG23 -1.15 -0.00 -0.12 -0.04 0.93 -0.38 3lcbB1 ILE 157 HD13 -0.27 -0.04 -0.08 -0.04 0.88 0.45 3lcbB1 SER 158 H -0.10 0.62 0.17 -0.55 8.46 8.61 3lcbB1 SER 158 HA -0.03 0.05 0.43 -0.75 4.49 4.19 3lcbB1 SER 158 HB2 0.01 -0.02 0.04 -0.04 3.95 3.94 3lcbB1 SER 158 HB3 -0.05 -0.06 0.17 -0.04 3.93 3.95 3lcbB1 ASP 159 H 0.03 -0.01 -0.59 -0.55 8.40 7.28 3lcbB1 ASP 159 HA 0.07 0.06 0.36 -0.75 4.63 4.37 3lcbB1 ASP 159 HB2 0.11 0.01 -0.09 -0.04 2.71 2.70 3lcbB1 ASP 159 HB3 0.11 -0.03 -0.03 -0.04 2.70 2.71 3lcbB1 LEU 160 H 0.09 0.22 -0.59 -0.55 8.37 7.55 3lcbB1 LEU 160 HA 0.11 0.09 0.44 -0.75 4.35 4.23 3lcbB1 LEU 160 HB2 0.24 0.34 0.19 -0.04 1.64 2.38 3lcbB1 LEU 160 HB3 0.26 -0.19 -0.01 -0.04 1.64 1.66 3lcbB1 LEU 160 HG 0.16 -0.07 0.03 -0.04 1.64 1.71 3lcbB1 LEU 160 HD13 0.09 0.07 0.02 -0.04 0.93 1.06 3lcbB1 LEU 160 HD23 0.30 -0.04 0.07 -0.04 0.89 1.19 3lcbB1 PRO 161 HA 0.07 0.12 0.30 -0.51 4.44 4.43 3lcbB1 PRO 161 HB2 0.05 -0.06 0.06 -0.04 2.28 2.29 3lcbB1 PRO 161 HB3 0.05 0.03 0.13 -0.04 2.02 2.19 3lcbB1 PRO 161 HG2 0.10 -0.04 0.02 -0.04 2.03 2.06 3lcbB1 PRO 161 HG3 0.06 0.03 0.10 -0.04 2.03 2.18 3lcbB1 PRO 161 HD2 0.10 0.04 0.22 -0.04 3.68 4.00 3lcbB1 PRO 161 HD3 0.08 0.25 0.24 -0.04 3.65 4.18 3lcbB1 LEU 162 H 0.15 0.08 -0.68 -0.55 8.37 7.38 3lcbB1 LEU 162 HA 0.09 -0.02 0.26 -0.75 4.35 3.92 3lcbB1 LEU 162 HB2 0.14 0.05 0.01 -0.04 1.64 1.81 3lcbB1 LEU 162 HB3 0.05 -0.02 -0.10 -0.04 1.64 1.53 3lcbB1 LEU 162 HG 0.13 -0.04 -0.07 -0.04 1.64 1.62 3lcbB1 LEU 162 HD13 0.05 0.01 -0.08 -0.04 0.93 0.87 3lcbB1 LEU 162 HD23 0.25 0.00 -0.09 -0.04 0.89 1.01 3lcbB1 ARG 163 H 0.02 0.10 0.09 -0.55 8.46 8.12 3lcbB1 ARG 163 HA -0.01 0.19 0.59 -0.75 4.34 4.36 3lcbB1 ARG 163 HB2 -0.03 -0.04 0.18 -0.04 1.90 1.97 3lcbB1 ARG 163 HB3 -0.04 -0.03 0.20 -0.04 1.80 1.88 3lcbB1 ARG 163 HG2 -0.00 -0.02 0.00 -0.04 1.67 1.61 3lcbB1 ARG 163 HG3 0.01 0.20 -0.03 -0.04 1.67 1.81 3lcbB1 ARG 163 HD2 -0.02 -0.05 0.04 -0.04 3.22 3.15 3lcbB1 ARG 163 HD3 -0.01 -0.01 0.02 -0.04 3.22 3.18 3lcbB1 LEU 164 H -0.06 0.40 -0.36 -0.55 8.37 7.80 3lcbB1 LEU 164 HA -0.20 0.13 0.66 -0.75 4.35 4.18 3lcbB1 LEU 164 HB2 -0.18 -0.06 -0.14 -0.04 1.64 1.21 3lcbB1 LEU 164 HB3 -0.15 0.10 0.04 -0.04 1.64 1.59 3lcbB1 LEU 164 HG -0.10 -0.13 -0.42 -0.04 1.64 0.96 3lcbB1 LEU 164 HD13 -0.18 0.06 -0.06 -0.04 0.93 0.70 3lcbB1 LEU 164 HD23 -0.12 0.05 0.08 -0.04 0.89 0.87 3lcbB1 HIS 165 H -0.10 0.18 0.16 -0.55 8.41 8.09 3lcbB1 HIS 165 HA 0.14 0.09 0.65 -0.75 4.63 4.77 3lcbB1 HIS 165 HB2 0.04 0.04 0.13 -0.04 3.26 3.43 3lcbB1 HIS 165 HB3 0.10 0.03 0.06 -0.04 3.20 3.34 3lcbB1 HIS 165 HD2 0.11 0.01 0.01 -0.04 6.97 7.05 3lcbB1 HIS 165 HE1 0.02 -0.00 -0.00 -0.04 7.75 7.73 3lcbB1 TRP 166 H 0.55 0.12 0.21 -0.55 7.97 8.30 3lcbB1 TRP 166 HA 0.12 0.09 0.85 -0.75 4.62 4.93 3lcbB1 TRP 166 HB2 0.09 -0.11 0.11 -0.04 3.23 3.28 3lcbB1 TRP 166 HB3 0.10 0.03 -0.11 -0.04 3.23 3.21 3lcbB1 TRP 166 HD1 0.09 -0.01 0.08 -0.04 7.22 7.34 3lcbB1 TRP 166 HE1 0.06 0.17 -0.02 -0.04 10.20 10.37 3lcbB1 TRP 166 HE3 0.12 0.11 -0.11 -0.04 7.59 7.67 3lcbB1 TRP 166 HZ2 0.05 0.09 -0.02 -0.04 7.44 7.51 3lcbB1 TRP 166 HZ3 0.08 -0.10 -0.18 -0.04 7.13 6.89 3lcbB1 TRP 166 HH2 0.03 0.02 -0.08 -0.04 7.19 7.12 3lcbB1 GLN 167 H 0.27 0.44 0.22 -0.55 8.47 8.85 3lcbB1 GLN 167 HA 0.16 0.09 0.90 -0.75 4.36 4.76 3lcbB1 GLN 167 HB2 0.17 0.00 0.07 -0.04 2.15 2.35 3lcbB1 GLN 167 HB3 0.15 0.01 0.03 -0.04 2.02 2.18 3lcbB1 GLN 167 HG2 0.09 0.06 0.00 -0.04 2.40 2.50 3lcbB1 GLN 167 HG3 0.07 0.01 -0.01 -0.04 2.39 2.42 3lcbB1 GLN 167 HE21 0.05 -0.06 0.02 -0.04 6.97 6.94 3lcbB1 GLN 167 HE22 0.07 0.03 -0.16 -0.04 7.69 7.59 3lcbB1 ASN 168 H 0.13 0.20 0.08 -0.55 8.53 8.38 3lcbB1 ASN 168 HA 0.07 -0.01 0.37 -0.75 4.76 4.43 3lcbB1 ASN 168 HB2 0.08 0.13 -0.37 -0.04 2.88 2.69 3lcbB1 ASN 168 HB3 0.05 -0.15 0.23 -0.04 2.79 2.87 3lcbB1 ASN 168 HD21 0.01 0.04 0.01 -0.04 7.03 7.04 3lcbB1 ASN 168 HD22 0.03 0.05 -0.05 -0.04 7.74 7.72 3lcbB1 LYS 169 H 0.09 0.19 0.00 -0.55 8.42 8.15 3lcbB1 LYS 169 HA 0.06 0.18 0.34 -0.75 4.32 4.15 3lcbB1 LYS 169 HB2 -0.08 -0.05 0.14 -0.04 1.87 1.84 3lcbB1 LYS 169 HB3 -0.24 0.01 0.02 -0.04 1.79 1.54 3lcbB1 LYS 169 HG2 -1.01 0.08 0.01 -0.04 1.46 0.50 3lcbB1 LYS 169 HG3 0.08 -0.04 -0.02 -0.04 1.46 1.43 3lcbB1 LYS 169 HD2 -0.31 0.09 0.03 -0.04 1.69 1.45 3lcbB1 LYS 169 HD3 -0.07 -0.03 0.05 -0.04 1.68 1.59 3lcbB1 LYS 169 HE2 -0.19 -0.06 0.02 -0.04 2.99 2.71 3lcbB1 LYS 169 HE3 -0.51 -0.01 -0.01 -0.04 2.99 2.42 3lcbB1 SER 170 H 0.00 0.07 -0.18 -0.55 8.46 7.80 3lcbB1 SER 170 HA -0.03 0.07 0.25 -0.75 4.49 4.03 3lcbB1 SER 170 HB2 -0.01 0.00 0.10 -0.04 3.95 4.00 3lcbB1 SER 170 HB3 -0.02 0.04 -0.06 -0.04 3.93 3.86 3lcbB1 ARG 171 H -0.02 0.12 -0.37 -0.55 8.46 7.64 3lcbB1 ARG 171 HA -0.23 0.04 0.42 -0.75 4.34 3.82 3lcbB1 ARG 171 HB2 -0.13 -0.04 0.11 -0.04 1.90 1.80 3lcbB1 ARG 171 HB3 -0.01 0.19 0.20 -0.04 1.80 2.13 3lcbB1 ARG 171 HG2 0.08 0.00 -0.17 -0.04 1.67 1.54 3lcbB1 ARG 171 HG3 -0.80 -0.05 -0.13 -0.04 1.67 0.65 3lcbB1 ARG 171 HD2 0.07 0.02 -0.03 -0.04 3.22 3.23 3lcbB1 ARG 171 HD3 -0.09 -0.06 0.01 -0.04 3.22 3.04 3lcbB1 ASP 172 H 0.05 0.42 -0.17 -0.55 8.40 8.16 3lcbB1 ASP 172 HA 0.21 0.08 0.47 -0.75 4.63 4.63 3lcbB1 ASP 172 HB2 0.12 0.09 0.13 -0.04 2.71 3.01 3lcbB1 ASP 172 HB3 0.26 -0.02 0.12 -0.04 2.70 3.01 3lcbB1 ILE 173 H -0.00 0.00 -0.10 -0.55 8.25 7.60 3lcbB1 ILE 173 HA 0.05 0.03 0.42 -0.75 4.18 3.93 3lcbB1 ILE 173 HB 0.01 0.03 -0.04 -0.04 1.89 1.84 3lcbB1 ILE 173 HG12 -0.02 0.00 0.31 -0.04 1.49 1.74 3lcbB1 ILE 173 HG13 -0.03 -0.12 0.01 -0.04 1.21 1.03 3lcbB1 ILE 173 HG23 0.02 -0.01 0.01 -0.04 0.93 0.91 3lcbB1 ILE 173 HD13 -0.08 -0.14 -0.19 -0.04 0.88 0.44 3lcbB1 HIS 174 H 0.01 0.60 -0.21 -0.55 8.41 8.26 3lcbB1 HIS 174 HA -0.06 -0.05 0.34 -0.75 4.63 4.11 3lcbB1 HIS 174 HB2 -0.15 0.00 0.15 -0.04 3.26 3.23 3lcbB1 HIS 174 HB3 -0.35 0.25 0.23 -0.04 3.20 3.29 3lcbB1 HIS 174 HD2 -0.10 -0.02 0.01 -0.04 6.97 6.80 3lcbB1 HIS 174 HE1 -0.03 0.00 -0.02 -0.04 7.75 7.66 3lcbB1 TYR 175 H -0.15 0.48 -0.21 -0.55 8.29 7.87 3lcbB1 TYR 175 HA -0.19 0.00 0.32 -0.75 4.56 3.94 3lcbB1 TYR 175 HB2 -0.65 0.16 0.23 -0.04 3.06 2.77 3lcbB1 TYR 175 HB3 -2.20 -0.02 -0.03 -0.04 2.98 0.69 3lcbB1 TYR 175 HD2 -0.31 -0.05 -0.02 -0.04 7.15 6.74 3lcbB1 TYR 175 HE2 -0.12 -0.04 -0.04 -0.04 6.85 6.62 3lcbB1 ILE 176 H 0.04 0.57 -0.16 -0.55 8.25 8.15 3lcbB1 ILE 176 HA 0.24 0.03 0.32 -0.75 4.18 4.02 3lcbB1 ILE 176 HB 0.13 0.09 0.14 -0.04 1.89 2.21 3lcbB1 ILE 176 HG12 0.18 -0.03 -0.04 -0.04 1.49 1.56 3lcbB1 ILE 176 HG13 0.19 -0.02 -0.04 -0.04 1.21 1.30 3lcbB1 ILE 176 HG23 0.21 -0.03 -0.21 -0.04 0.93 0.86 3lcbB1 ILE 176 HD13 0.15 -0.06 0.00 -0.04 0.88 0.94 3lcbB1 ILE 177 H 0.07 0.00 -0.15 -0.55 8.25 7.61 3lcbB1 ILE 177 HA -0.04 -0.01 0.37 -0.75 4.18 3.75 3lcbB1 ILE 177 HB -0.06 -0.01 -0.06 -0.04 1.89 1.71 3lcbB1 ILE 177 HG12 0.04 0.00 0.28 -0.04 1.49 1.77 3lcbB1 ILE 177 HG13 -0.08 -0.15 0.11 -0.04 1.21 1.05 3lcbB1 ILE 177 HG23 0.00 -0.03 -0.05 -0.04 0.93 0.81 3lcbB1 ILE 177 HD13 0.06 -0.14 -0.11 -0.04 0.88 0.65 3lcbB1 ARG 178 H 0.11 0.64 -0.20 -0.55 8.46 8.46 3lcbB1 ARG 178 HA 0.05 -0.05 0.41 -0.75 4.34 3.99 3lcbB1 ARG 178 HB2 0.25 0.17 0.14 -0.04 1.90 2.42 3lcbB1 ARG 178 HB3 0.15 0.07 0.02 -0.04 1.80 2.00 3lcbB1 ARG 178 HG2 0.09 -0.07 0.07 -0.04 1.67 1.72 3lcbB1 ARG 178 HG3 0.25 -0.02 0.02 -0.04 1.67 1.88 3lcbB1 ARG 178 HD2 0.08 0.05 -0.04 -0.04 3.22 3.27 3lcbB1 ARG 178 HD3 0.06 -0.05 0.03 -0.04 3.22 3.23 3lcbB1 HIS 179 H 0.23 0.51 -0.20 -0.55 8.41 8.41 3lcbB1 HIS 179 HA 0.07 0.06 0.59 -0.75 4.63 4.59 3lcbB1 HIS 179 HB2 0.23 0.04 0.11 -0.04 3.26 3.61 3lcbB1 HIS 179 HB3 0.13 0.09 0.18 -0.04 3.20 3.55 3lcbB1 HIS 179 HD2 -0.01 0.03 0.09 -0.04 6.97 7.04 3lcbB1 HIS 179 HE1 0.00 -0.08 -0.09 -0.04 7.75 7.54 3lcbB1 LEU 180 H 0.14 0.77 0.05 -0.55 8.37 8.78 3lcbB1 LEU 180 HA 0.13 0.03 0.30 -0.75 4.35 4.06 3lcbB1 LEU 180 HB2 -0.25 -0.04 0.02 -0.04 1.64 1.33 3lcbB1 LEU 180 HB3 0.01 0.00 0.03 -0.04 1.64 1.64 3lcbB1 LEU 180 HG -0.06 0.24 0.03 -0.04 1.64 1.80 3lcbB1 LEU 180 HD13 -0.32 0.02 -0.06 -0.04 0.93 0.54 3lcbB1 LEU 180 HD23 -0.57 -0.02 -0.12 -0.04 0.89 0.15 3lcbB1 THR 181 H -0.03 0.80 -0.17 -0.55 8.28 8.33 3lcbB1 THR 181 HA -0.09 -0.05 0.58 -0.75 4.39 4.08 3lcbB1 THR 181 HB -0.03 0.08 0.11 -0.04 4.32 4.45 3lcbB1 THR 181 HG23 -0.03 -0.03 -0.04 -0.04 1.22 1.07 3lcbB1 GLU 182 H -0.02 0.49 -0.09 -0.55 8.60 8.43 3lcbB1 GLU 182 HA -0.03 -0.01 0.39 -0.75 4.29 3.89 3lcbB1 GLU 182 HB2 -0.04 -0.08 0.12 -0.04 2.09 2.05 3lcbB1 GLU 182 HB3 -0.03 0.18 0.22 -0.04 1.99 2.33 3lcbB1 GLU 182 HG2 -0.17 0.23 0.05 -0.04 2.34 2.41 3lcbB1 GLU 182 HG3 -0.11 -0.07 -0.23 -0.04 2.34 1.89 3lcbB1 THR 183 H -0.05 0.24 -0.49 -0.55 8.28 7.43 3lcbB1 THR 183 HA -0.06 0.07 0.55 -0.75 4.39 4.20 3lcbB1 THR 183 HB 0.03 0.03 0.07 -0.04 4.32 4.41 3lcbB1 THR 183 HG23 0.05 -0.03 -0.15 -0.04 1.22 1.05 3lcbB1 LEU 184 H -0.04 0.25 -0.13 -0.55 8.37 7.91 3lcbB1 LEU 184 HA -0.01 0.17 0.90 -0.75 4.35 4.65 3lcbB1 LEU 184 HB2 -0.07 0.14 0.14 -0.04 1.64 1.82 3lcbB1 LEU 184 HB3 -0.02 -0.10 -0.06 -0.04 1.64 1.41 3lcbB1 LEU 184 HG -0.00 -0.04 -0.22 -0.04 1.64 1.34 3lcbB1 LEU 184 HD13 -0.06 0.01 -0.07 -0.04 0.93 0.77 3lcbB1 LEU 184 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.80 3lcbB1 GLY 185 H -0.04 0.29 0.21 -0.55 8.43 8.34 3lcbB1 GLY 185 HA2 -0.02 0.11 0.46 -0.51 4.01 4.05 3lcbB1 GLY 185 HA3 -0.01 0.12 0.77 -0.51 4.01 4.37 3lcbB1 PRO 186 HA -0.01 0.05 0.26 -0.51 4.44 4.23 3lcbB1 PRO 186 HB2 0.02 0.03 0.07 -0.04 2.28 2.36 3lcbB1 PRO 186 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 3lcbB1 PRO 186 HG2 0.00 0.06 0.10 -0.04 2.03 2.16 3lcbB1 PRO 186 HG3 -0.01 0.05 0.12 -0.04 2.03 2.14 3lcbB1 PRO 186 HD2 -0.00 0.12 0.18 -0.04 3.68 3.94 3lcbB1 PRO 186 HD3 -0.01 0.19 0.25 -0.04 3.65 4.03 3lcbB1 GLU 187 H 0.01 0.13 -0.19 -0.55 8.60 8.02 3lcbB1 GLU 187 HA 0.04 0.07 0.37 -0.75 4.29 4.01 3lcbB1 GLU 187 HB2 0.03 0.04 0.02 -0.04 2.09 2.14 3lcbB1 GLU 187 HB3 0.02 -0.01 0.09 -0.04 1.99 2.05 3lcbB1 GLU 187 HG2 0.02 -0.05 0.04 -0.04 2.34 2.31 3lcbB1 GLU 187 HG3 0.02 0.04 0.00 -0.04 2.34 2.36 3lcbB1 ASN 188 H 0.02 0.25 -0.07 -0.55 8.53 8.18 3lcbB1 ASN 188 HA 0.05 0.10 0.66 -0.75 4.76 4.81 3lcbB1 ASN 188 HB2 0.02 0.18 0.08 -0.04 2.88 3.12 3lcbB1 ASN 188 HB3 0.03 -0.02 0.02 -0.04 2.79 2.78 3lcbB1 ASN 188 HD21 0.02 0.00 0.02 -0.04 7.03 7.03 3lcbB1 ASN 188 HD22 0.03 -0.04 0.06 -0.04 7.74 7.74 3lcbB1 LEU 189 H 0.01 0.39 -0.24 -0.55 8.37 8.00 3lcbB1 LEU 189 HA 0.01 0.07 0.41 -0.75 4.35 4.09 3lcbB1 LEU 189 HB2 -0.16 0.02 -0.05 -0.04 1.64 1.41 3lcbB1 LEU 189 HB3 -0.06 0.01 -0.10 -0.04 1.64 1.45 3lcbB1 LEU 189 HG -0.69 0.03 -0.18 -0.04 1.64 0.76 3lcbB1 LEU 189 HD13 -0.52 -0.02 -0.18 -0.04 0.93 0.17 3lcbB1 LEU 189 HD23 -0.04 -0.02 -0.15 -0.04 0.89 0.63 3lcbB1 SER 190 H 0.12 0.43 -0.17 -0.55 8.46 8.29 3lcbB1 SER 190 HA 0.39 0.00 0.34 -0.75 4.49 4.46 3lcbB1 SER 190 HB2 0.12 -0.06 0.01 -0.04 3.95 3.98 3lcbB1 SER 190 HB3 0.14 -0.06 0.11 -0.04 3.93 4.07 3lcbB1 LYS 191 H 0.14 0.17 -0.29 -0.55 8.42 7.88 3lcbB1 LYS 191 HA 0.12 0.07 0.67 -0.75 4.32 4.42 3lcbB1 LYS 191 HB2 0.10 0.05 0.10 -0.04 1.87 2.08 3lcbB1 LYS 191 HB3 0.10 -0.01 0.07 -0.04 1.79 1.90 3lcbB1 LYS 191 HG2 0.06 -0.01 -0.01 -0.04 1.46 1.46 3lcbB1 LYS 191 HG3 0.06 0.03 0.04 -0.04 1.46 1.55 3lcbB1 LYS 191 HD2 0.05 0.01 0.02 -0.04 1.69 1.74 3lcbB1 LYS 191 HD3 0.04 -0.05 0.01 -0.04 1.68 1.64 3lcbB1 LYS 191 HE2 0.05 0.03 0.04 -0.04 2.99 3.08 3lcbB1 LYS 191 HE3 0.04 -0.02 0.02 -0.04 2.99 2.98 3lcbB1 SER 192 H 0.26 0.12 -0.39 -0.55 8.46 7.91 3lcbB1 SER 192 HA 0.25 0.28 0.64 -0.75 4.49 4.91 3lcbB1 SER 192 HB2 0.30 0.04 0.08 -0.04 3.95 4.32 3lcbB1 SER 192 HB3 0.18 -0.08 -0.08 -0.04 3.93 3.91 3lcbB1 HIS 193 H 0.08 0.40 0.30 -0.55 8.41 8.64 3lcbB1 HIS 193 HA -0.04 0.06 0.75 -0.75 4.63 4.65 3lcbB1 HIS 193 HB2 -0.42 0.36 0.22 -0.04 3.26 3.39 3lcbB1 HIS 193 HB3 -0.11 0.06 -0.16 -0.04 3.20 2.95 3lcbB1 HIS 193 HD2 0.07 0.18 0.07 -0.04 6.97 7.23 3lcbB1 HIS 193 HE1 -0.00 -0.06 -0.09 -0.04 7.75 7.56 3lcbB1 LEU 194 H -0.06 0.35 0.29 -0.55 8.37 8.40 3lcbB1 LEU 194 HA -0.11 0.22 0.81 -0.75 4.35 4.52 3lcbB1 LEU 194 HB2 -0.10 0.01 0.14 -0.04 1.64 1.65 3lcbB1 LEU 194 HB3 -0.12 -0.00 -0.07 -0.04 1.64 1.40 3lcbB1 LEU 194 HG -0.75 0.02 -0.09 -0.04 1.64 0.78 3lcbB1 LEU 194 HD13 -0.28 0.00 -0.15 -0.04 0.93 0.47 3lcbB1 LEU 194 HD23 -0.27 -0.01 -0.10 -0.04 0.89 0.47 3lcbB1 GLN 195 H 0.02 0.78 0.33 -0.55 8.47 9.05 3lcbB1 GLN 195 HA 0.22 0.24 0.69 -0.75 4.36 4.76 3lcbB1 GLN 195 HB2 0.09 0.03 0.00 -0.04 2.15 2.23 3lcbB1 GLN 195 HB3 0.20 -0.09 0.20 -0.04 2.02 2.28 3lcbB1 GLN 195 HG2 0.47 -0.04 -0.24 -0.04 2.40 2.54 3lcbB1 GLN 195 HG3 0.23 0.03 -0.24 -0.04 2.39 2.37 3lcbB1 GLN 195 HE21 0.16 0.00 -0.06 -0.04 6.97 7.03 3lcbB1 GLN 195 HE22 0.17 0.02 -0.07 -0.04 7.69 7.77 3lcbB1 VAL 196 H 0.31 0.55 0.12 -0.55 8.24 8.68 3lcbB1 VAL 196 HA 0.26 0.08 0.83 -0.75 4.13 4.55 3lcbB1 VAL 196 HB 0.05 0.03 0.08 -0.04 2.12 2.24 3lcbB1 VAL 196 HG13 0.08 0.07 -0.14 -0.04 0.97 0.93 3lcbB1 VAL 196 HG23 -0.06 -0.03 -0.14 -0.04 0.95 0.69 3lcbB1 ALA 197 H 0.17 0.49 0.37 -0.55 8.40 8.88 3lcbB1 ALA 197 HA -0.30 -0.01 0.63 -0.75 4.34 3.91 3lcbB1 ALA 197 HB3 -0.26 -0.01 0.19 -0.04 1.41 1.29 3lcbB1 ASN 198 H -0.11 0.67 0.43 -0.55 8.53 8.98 3lcbB1 ASN 198 HA 0.04 0.06 0.43 -0.75 4.76 4.54 3lcbB1 ASN 198 HB2 -0.02 -0.05 0.17 -0.04 2.88 2.94 3lcbB1 ASN 198 HB3 0.02 -0.04 0.02 -0.04 2.79 2.76 3lcbB1 ASN 198 HD21 -0.02 0.02 -0.41 -0.04 7.03 6.57 3lcbB1 ASN 198 HD22 -0.02 -0.01 0.00 -0.04 7.74 7.67 3lcbB1 GLU 199 H -0.05 0.06 0.06 -0.55 8.60 8.12 3lcbB1 GLU 199 HA 0.03 0.07 0.61 -0.75 4.29 4.24 3lcbB1 GLU 199 HB2 -0.09 -0.02 0.15 -0.04 2.09 2.09 3lcbB1 GLU 199 HB3 -0.06 -0.01 0.08 -0.04 1.99 1.96 3lcbB1 GLU 199 HG2 0.07 -0.04 0.08 -0.04 2.34 2.40 3lcbB1 GLU 199 HG3 0.17 0.18 0.18 -0.04 2.34 2.83 3lcbB1 LEU 200 H 0.04 0.07 0.22 -0.55 8.37 8.15 3lcbB1 LEU 200 HA 0.05 0.24 0.82 -0.75 4.35 4.70 3lcbB1 LEU 200 HB2 -0.07 -0.07 0.14 -0.04 1.64 1.60 3lcbB1 LEU 200 HB3 -0.60 -0.04 -0.11 -0.04 1.64 0.85 3lcbB1 LEU 200 HG -0.09 0.08 -0.18 -0.04 1.64 1.42 3lcbB1 LEU 200 HD13 0.04 0.02 -0.07 -0.04 0.93 0.89 3lcbB1 LEU 200 HD23 -0.12 -0.03 -0.07 -0.04 0.89 0.63 3lcbB1 PHE 201 H 0.20 0.67 0.32 -0.55 8.34 8.97 3lcbB1 PHE 201 HA -0.05 0.17 0.80 -0.75 4.62 4.78 3lcbB1 PHE 201 HB2 -0.38 -0.07 0.14 -0.04 3.15 2.80 3lcbB1 PHE 201 HB3 -1.28 0.04 -0.09 -0.04 3.06 1.70 3lcbB1 PHE 201 HD2 -0.39 0.05 -0.04 -0.04 7.28 6.86 3lcbB1 PHE 201 HE2 0.10 0.02 -0.05 -0.04 7.38 7.41 3lcbB1 PHE 201 HZ 0.13 -0.03 -0.07 -0.04 7.32 7.32 3lcbB1 TYR 202 H 0.33 0.80 0.28 -0.55 8.29 9.15 3lcbB1 TYR 202 HA 0.15 0.21 0.92 -0.75 4.56 5.09 3lcbB1 TYR 202 HB2 0.09 0.04 0.23 -0.04 3.06 3.38 3lcbB1 TYR 202 HB3 0.09 0.01 0.05 -0.04 2.98 3.09 3lcbB1 TYR 202 HD2 -0.10 0.23 0.02 -0.04 7.15 7.26 3lcbB1 TYR 202 HE2 -0.24 0.00 -0.03 -0.04 6.85 6.53 3lcbB1 ARG 203 H 0.27 0.57 0.19 -0.55 8.46 8.94 3lcbB1 ARG 203 HA 0.12 0.06 0.34 -0.75 4.34 4.10 3lcbB1 ARG 203 HB2 -0.08 0.15 -0.06 -0.04 1.90 1.87 3lcbB1 ARG 203 HB3 0.10 -0.06 -0.00 -0.04 1.80 1.80 3lcbB1 ARG 203 HG2 -0.11 -0.11 -0.14 -0.04 1.67 1.28 3lcbB1 ARG 203 HG3 -0.11 0.00 0.05 -0.04 1.67 1.57 3lcbB1 ARG 203 HD2 -0.31 -0.20 -0.01 -0.04 3.22 2.66 3lcbB1 ARG 203 HD3 -0.61 0.22 -0.21 -0.04 3.22 2.58 3lcbB1 ASN 204 H 0.05 0.17 0.07 -0.55 8.53 8.27 3lcbB1 ASN 204 HA 0.03 0.03 0.33 -0.75 4.76 4.40 3lcbB1 ASN 204 HB2 -0.11 0.05 -0.02 -0.04 2.88 2.76 3lcbB1 ASN 204 HB3 -0.21 0.06 0.16 -0.04 2.79 2.76 3lcbB1 ASN 204 HD21 -0.13 -0.05 0.01 -0.04 7.03 6.82 3lcbB1 ASN 204 HD22 -0.11 0.03 -0.11 -0.04 7.74 7.51 3lcbB1 LYS 205 H -0.26 0.11 0.23 -0.55 8.42 7.95 3lcbB1 LYS 205 HA -1.15 0.15 0.62 -0.75 4.32 3.19 3lcbB1 LYS 205 HB2 -0.44 -0.04 0.14 -0.04 1.87 1.49 3lcbB1 LYS 205 HB3 -0.52 0.00 0.25 -0.04 1.79 1.48 3lcbB1 LYS 205 HG2 -3.23 0.03 -0.01 -0.04 1.46 -1.79 3lcbB1 LYS 205 HG3 -1.02 -0.03 -0.04 -0.04 1.46 0.32 3lcbB1 LYS 205 HD2 -0.50 -0.06 0.02 -0.04 1.69 1.12 3lcbB1 LYS 205 HD3 -0.64 0.02 0.09 -0.04 1.68 1.10 3lcbB1 LYS 205 HE2 -0.99 -0.03 0.07 -0.04 2.99 2.00 3lcbB1 LYS 205 HE3 -0.71 -0.02 0.01 -0.04 2.99 2.23 3lcbB1 ALA 206 H 0.03 0.56 -0.19 -0.55 8.40 8.26 3lcbB1 ALA 206 HA -0.34 0.32 1.05 -0.75 4.34 4.61 3lcbB1 ALA 206 HB3 -0.31 -0.02 -0.05 -0.04 1.41 0.99 3lcbB1 ALA 207 H -0.57 0.63 0.28 -0.55 8.40 8.20 3lcbB1 ALA 207 HA -0.68 0.17 0.73 -0.75 4.34 3.80 3lcbB1 ALA 207 HB3 -1.04 -0.00 0.04 -0.04 1.41 0.37 3lcbB1 TRP 208 H -0.02 0.97 0.22 -0.55 7.97 8.59 3lcbB1 TRP 208 HA -0.13 0.07 0.72 -0.75 4.62 4.52 3lcbB1 TRP 208 HB2 -0.18 0.16 0.17 -0.04 3.23 3.34 3lcbB1 TRP 208 HB3 -0.21 -0.03 -0.16 -0.04 3.23 2.79 3lcbB1 TRP 208 HD1 0.11 0.10 -0.17 -0.04 7.22 7.23 3lcbB1 TRP 208 HE1 0.02 0.01 -0.10 -0.04 10.20 10.09 3lcbB1 TRP 208 HE3 -0.10 0.04 -0.25 -0.04 7.59 7.24 3lcbB1 TRP 208 HZ2 0.19 -0.06 -0.08 -0.04 7.44 7.45 3lcbB1 TRP 208 HZ3 -0.07 -0.03 -0.23 -0.04 7.13 6.76 3lcbB1 TRP 208 HH2 0.20 -0.02 -0.16 -0.04 7.19 7.17 3lcbB1 LEU 209 H 0.01 0.79 0.37 -0.55 8.37 8.99 3lcbB1 LEU 209 HA 0.14 0.17 0.90 -0.75 4.35 4.80 3lcbB1 LEU 209 HB2 0.06 0.04 0.16 -0.04 1.64 1.86 3lcbB1 LEU 209 HB3 0.07 -0.15 0.31 -0.04 1.64 1.83 3lcbB1 LEU 209 HG 0.14 0.10 -0.01 -0.04 1.64 1.83 3lcbB1 LEU 209 HD13 0.09 -0.00 -0.02 -0.04 0.93 0.95 3lcbB1 LEU 209 HD23 0.26 -0.02 -0.19 -0.04 0.89 0.89 3lcbB1 VAL 210 H 0.23 0.30 0.13 -0.55 8.24 8.36 3lcbB1 VAL 210 HA 0.17 0.17 1.01 -0.75 4.13 4.72 3lcbB1 VAL 210 HB 0.02 0.03 0.13 -0.04 2.12 2.25 3lcbB1 VAL 210 HG13 0.18 -0.01 -0.14 -0.04 0.97 0.96 3lcbB1 VAL 210 HG23 -0.55 -0.01 -0.18 -0.04 0.95 0.18 3lcbB1 GLY 211 H 0.28 0.52 0.33 -0.55 8.43 9.02 3lcbB1 GLY 211 HA2 0.56 0.13 1.05 -0.51 4.01 5.25 3lcbB1 GLY 211 HA3 0.36 -0.01 0.29 -0.51 4.01 4.14 3lcbB1 LYS 212 H 0.28 0.83 0.40 -0.55 8.42 9.38 3lcbB1 LYS 212 HA -0.04 0.21 0.92 -0.75 4.32 4.65 3lcbB1 LYS 212 HB2 0.02 -0.05 0.15 -0.04 1.87 1.95 3lcbB1 LYS 212 HB3 -0.11 -0.00 -0.02 -0.04 1.79 1.61 3lcbB1 LYS 212 HG2 -0.55 0.02 -0.12 -0.04 1.46 0.77 3lcbB1 LYS 212 HG3 -0.45 0.01 -0.02 -0.04 1.46 0.96 3lcbB1 LYS 212 HD2 -0.26 -0.04 -0.05 -0.04 1.69 1.30 3lcbB1 LYS 212 HD3 -0.30 0.00 -0.10 -0.04 1.68 1.24 3lcbB1 LYS 212 HE2 -0.55 -0.07 -0.03 -0.04 2.99 2.29 3lcbB1 LYS 212 HE3 -1.34 0.02 -0.07 -0.04 2.99 1.55 3lcbB1 LEU 213 H -0.00 0.78 0.25 -0.55 8.37 8.85 3lcbB1 LEU 213 HA -0.06 0.18 0.88 -0.75 4.35 4.59 3lcbB1 LEU 213 HB2 0.09 -0.02 -0.17 -0.04 1.64 1.49 3lcbB1 LEU 213 HB3 0.08 0.08 0.02 -0.04 1.64 1.78 3lcbB1 LEU 213 HG 0.03 -0.05 -0.18 -0.04 1.64 1.40 3lcbB1 LEU 213 HD13 0.02 0.01 -0.19 -0.04 0.93 0.73 3lcbB1 LEU 213 HD23 0.12 -0.00 -0.10 -0.04 0.89 0.87 3lcbB1 ILE 214 H -0.21 0.67 0.22 -0.55 8.25 8.38 3lcbB1 ILE 214 HA -0.06 0.09 0.78 -0.75 4.18 4.24 3lcbB1 ILE 214 HB -0.64 0.03 0.18 -0.04 1.89 1.42 3lcbB1 ILE 214 HG12 -0.09 -0.01 -0.10 -0.04 1.49 1.25 3lcbB1 ILE 214 HG13 -0.18 -0.10 -0.19 -0.04 1.21 0.70 3lcbB1 ILE 214 HG23 0.05 0.00 -0.13 -0.04 0.93 0.82 3lcbB1 ILE 214 HD13 -0.16 0.00 -0.10 -0.04 0.88 0.59 3lcbB1 THR 215 H 0.01 0.71 0.47 -0.55 8.28 8.92 3lcbB1 THR 215 HA 0.09 0.18 0.79 -0.75 4.39 4.69 3lcbB1 THR 215 HB 0.05 -0.01 0.14 -0.04 4.32 4.45 3lcbB1 THR 215 HG23 0.04 0.02 -0.13 -0.04 1.22 1.11 3lcbB1 PRO 216 HA 0.06 0.12 0.46 -0.51 4.44 4.56 3lcbB1 PRO 216 HB2 0.04 0.01 -0.02 -0.04 2.28 2.27 3lcbB1 PRO 216 HB3 0.05 0.03 0.11 -0.04 2.02 2.17 3lcbB1 PRO 216 HG2 0.04 -0.05 0.13 -0.04 2.03 2.12 3lcbB1 PRO 216 HG3 0.05 0.04 0.14 -0.04 2.03 2.22 3lcbB1 PRO 216 HD2 0.07 0.12 0.27 -0.04 3.68 4.09 3lcbB1 PRO 216 HD3 0.09 0.17 0.10 -0.04 3.65 3.97 3lcbB1 SER 217 H 0.03 0.04 -0.17 -0.55 8.46 7.81 3lcbB1 SER 217 HA 0.02 0.10 0.56 -0.75 4.49 4.41 3lcbB1 SER 217 HB2 0.02 -0.02 0.05 -0.04 3.95 3.96 3lcbB1 SER 217 HB3 0.01 0.00 0.01 -0.04 3.93 3.92 3lcbB1 GLY 218 H 0.02 0.09 -0.07 -0.55 8.43 7.93 3lcbB1 GLY 218 HA2 0.01 0.13 0.39 -0.51 4.01 4.02 3lcbB1 GLY 218 HA3 0.00 0.01 0.33 -0.51 4.01 3.84 3lcbB1 THR 219 H -0.02 0.22 0.17 -0.55 8.28 8.10 3lcbB1 THR 219 HA -0.03 0.27 1.08 -0.75 4.39 4.96 3lcbB1 THR 219 HB -0.06 0.01 0.10 -0.04 4.32 4.33 3lcbB1 THR 219 HG23 -0.10 -0.00 -0.20 -0.04 1.22 0.88 3lcbB1 LEU 220 H -0.01 0.71 0.36 -0.55 8.37 8.88 3lcbB1 LEU 220 HA -0.02 0.20 0.95 -0.75 4.35 4.73 3lcbB1 LEU 220 HB2 0.03 -0.01 0.11 -0.04 1.64 1.73 3lcbB1 LEU 220 HB3 0.04 0.19 0.09 -0.04 1.64 1.92 3lcbB1 LEU 220 HG 0.02 -0.01 0.13 -0.04 1.64 1.73 3lcbB1 LEU 220 HD13 0.01 0.02 -0.29 -0.04 0.93 0.63 3lcbB1 LEU 220 HD23 0.04 0.00 0.02 -0.04 0.89 0.91 3lcbB1 PRO 221 HA 0.00 0.13 0.68 -0.51 4.44 4.74 3lcbB1 PRO 221 HB2 0.02 -0.01 -0.12 -0.04 2.28 2.13 3lcbB1 PRO 221 HB3 -0.00 0.03 0.05 -0.04 2.02 2.06 3lcbB1 PRO 221 HG2 -0.01 -0.06 -0.21 -0.04 2.03 1.72 3lcbB1 PRO 221 HG3 -0.05 0.21 0.14 -0.04 2.03 2.29 3lcbB1 PRO 221 HD2 0.01 0.14 -0.04 -0.04 3.68 3.76 3lcbB1 PRO 221 HD3 -0.02 0.18 0.24 -0.04 3.65 4.00 3lcbB1 PHE 222 H 0.17 0.65 0.27 -0.55 8.34 8.88 3lcbB1 PHE 222 HA 0.01 0.11 0.73 -0.75 4.62 4.71 3lcbB1 PHE 222 HB2 0.03 0.01 -0.34 -0.04 3.15 2.82 3lcbB1 PHE 222 HB3 0.07 -0.05 -0.17 -0.04 3.06 2.87 3lcbB1 PHE 222 HD2 0.03 0.00 -0.15 -0.04 7.28 7.12 3lcbB1 PHE 222 HE2 0.01 -0.01 -0.14 -0.04 7.38 7.20 3lcbB1 PHE 222 HZ 0.06 -0.05 -0.12 -0.04 7.32 7.18 3lcbB1 LEU 223 H -0.21 0.29 0.11 -0.55 8.37 8.01 3lcbB1 LEU 223 HA 0.10 0.40 1.12 -0.75 4.35 5.22 3lcbB1 LEU 223 HB2 0.15 -0.09 0.12 -0.04 1.64 1.78 3lcbB1 LEU 223 HB3 0.57 0.01 -0.05 -0.04 1.64 2.13 3lcbB1 LEU 223 HG 0.07 0.00 -0.17 -0.04 1.64 1.50 3lcbB1 LEU 223 HD13 -0.00 -0.01 -0.09 -0.04 0.93 0.79 3lcbB1 LEU 223 HD23 0.11 0.03 -0.08 -0.04 0.89 0.90 3lcbB1 LEU 224 H 0.04 0.72 0.30 -0.55 8.37 8.88 3lcbB1 LEU 224 HA -0.25 0.31 1.02 -0.75 4.35 4.67 3lcbB1 LEU 224 HB2 -0.03 -0.01 0.20 -0.04 1.64 1.76 3lcbB1 LEU 224 HB3 -0.05 -0.01 0.03 -0.04 1.64 1.57 3lcbB1 LEU 224 HG -0.57 -0.04 -0.32 -0.04 1.64 0.66 3lcbB1 LEU 224 HD13 0.17 -0.01 -0.08 -0.04 0.93 0.97 3lcbB1 LEU 224 HD23 -0.18 0.03 0.05 -0.04 0.89 0.75 3lcbB1 PRO 225 HA -1.38 0.10 0.64 -0.51 4.44 3.29 3lcbB1 PRO 225 HB2 -0.64 0.04 -0.03 -0.04 2.28 1.61 3lcbB1 PRO 225 HB3 -2.68 0.05 -0.01 -0.04 2.02 -0.66 3lcbB1 PRO 225 HG2 -0.35 -0.17 0.16 -0.04 2.03 1.62 3lcbB1 PRO 225 HG3 -0.52 0.05 -0.06 -0.04 2.03 1.46 3lcbB1 PRO 225 HD2 -0.38 0.35 0.23 -0.04 3.68 3.83 3lcbB1 PRO 225 HD3 -0.44 0.15 -0.21 -0.04 3.65 3.11 3lcbB1 ILE 226 H -0.55 0.75 0.34 -0.55 8.25 8.24 3lcbB1 ILE 226 HA -0.17 0.11 0.87 -0.75 4.18 4.24 3lcbB1 ILE 226 HB -0.27 0.06 0.28 -0.04 1.89 1.92 3lcbB1 ILE 226 HG12 0.20 -0.07 -0.08 -0.04 1.49 1.50 3lcbB1 ILE 226 HG13 -0.08 -0.03 -0.13 -0.04 1.21 0.93 3lcbB1 ILE 226 HG23 -0.16 -0.02 -0.18 -0.04 0.93 0.54 3lcbB1 ILE 226 HD13 0.04 0.01 -0.04 -0.04 0.88 0.84 3lcbB1 HIS 227 H -0.31 0.56 0.44 -0.55 8.41 8.56 3lcbB1 HIS 227 HA -0.08 0.28 1.01 -0.75 4.63 5.09 3lcbB1 HIS 227 HB2 -0.91 -0.03 0.08 -0.04 3.26 2.37 3lcbB1 HIS 227 HB3 -0.40 0.04 0.04 -0.04 3.20 2.84 3lcbB1 HIS 227 HD2 -0.15 0.08 0.07 -0.04 6.97 6.93 3lcbB1 HIS 227 HE1 0.04 -0.05 -0.08 -0.04 7.75 7.61 3lcbB1 GLN 228 H -0.02 0.26 0.21 -0.55 8.47 8.38 3lcbB1 GLN 228 HA -0.12 0.25 1.23 -0.75 4.36 4.97 3lcbB1 GLN 228 HB2 -0.08 0.03 -0.04 -0.04 2.15 2.02 3lcbB1 GLN 228 HB3 -0.20 -0.06 -0.12 -0.04 2.02 1.61 3lcbB1 GLN 228 HG2 -0.15 -0.03 0.08 -0.04 2.40 2.27 3lcbB1 GLN 228 HG3 0.06 -0.04 0.03 -0.04 2.39 2.40 3lcbB1 GLN 228 HE21 -0.23 0.14 -0.01 -0.04 6.97 6.82 3lcbB1 GLN 228 HE22 -0.08 -0.09 -0.01 -0.04 7.69 7.48 3lcbB1 THR 229 H 0.25 0.41 0.22 -0.55 8.28 8.61 3lcbB1 THR 229 HA 0.33 -0.02 0.52 -0.75 4.39 4.47 3lcbB1 THR 229 HB 0.14 -0.05 -0.04 -0.04 4.32 4.34 3lcbB1 THR 229 HG23 0.09 0.03 0.05 -0.04 1.22 1.35 3lcbB1 ASP 230 H 0.12 0.05 0.21 -0.55 8.40 8.23 3lcbB1 ASP 230 HA 0.10 0.11 0.47 -0.75 4.63 4.56 3lcbB1 ASP 230 HB2 0.06 0.00 0.15 -0.04 2.71 2.89 3lcbB1 ASP 230 HB3 0.09 0.05 0.18 -0.04 2.70 2.98 3lcbB1 ASP 231 H 0.03 0.16 0.19 -0.55 8.40 8.23 3lcbB1 ASP 231 HA 0.01 -0.00 0.35 -0.75 4.63 4.23 3lcbB1 ASP 231 HB2 0.05 0.70 -0.08 -0.04 2.71 3.34 3lcbB1 ASP 231 HB3 0.03 -0.06 0.18 -0.04 2.70 2.81 3lcbB1 GLY 232 H 0.02 0.05 -0.26 -0.55 8.43 7.70 3lcbB1 GLY 232 HA2 -0.04 0.08 0.28 -0.51 4.01 3.82 3lcbB1 GLY 232 HA3 -0.03 -0.04 0.26 -0.51 4.01 3.70 3lcbB1 GLU 233 H 0.06 0.20 0.03 -0.55 8.60 8.34 3lcbB1 GLU 233 HA 0.00 0.34 1.03 -0.75 4.29 4.91 3lcbB1 GLU 233 HB2 0.11 -0.06 0.01 -0.04 2.09 2.11 3lcbB1 GLU 233 HB3 0.12 -0.13 0.04 -0.04 1.99 1.99 3lcbB1 GLU 233 HG2 0.06 0.19 -0.31 -0.04 2.34 2.24 3lcbB1 GLU 233 HG3 0.07 -0.03 -0.11 -0.04 2.34 2.23 3lcbB1 LEU 234 H -0.11 0.33 0.34 -0.55 8.37 8.38 3lcbB1 LEU 234 HA -0.18 0.34 1.36 -0.75 4.35 5.12 3lcbB1 LEU 234 HB2 -1.32 -0.13 0.02 -0.04 1.64 0.17 3lcbB1 LEU 234 HB3 -0.93 0.05 -0.06 -0.04 1.64 0.66 3lcbB1 LEU 234 HG -0.42 0.03 -0.26 -0.04 1.64 0.95 3lcbB1 LEU 234 HD13 -1.35 -0.03 -0.25 -0.04 0.93 -0.74 3lcbB1 LEU 234 HD23 -0.26 0.01 -0.22 -0.04 0.89 0.38 3lcbB1 PHE 235 H -0.33 0.92 0.42 -0.55 8.34 8.79 3lcbB1 PHE 235 HA 0.35 0.08 0.70 -0.75 4.62 5.00 3lcbB1 PHE 235 HB2 0.21 0.03 0.05 -0.04 3.15 3.40 3lcbB1 PHE 235 HB3 0.16 0.04 -0.12 -0.04 3.06 3.10 3lcbB1 PHE 235 HD2 0.11 0.03 -0.39 -0.04 7.28 6.98 3lcbB1 PHE 235 HE2 0.04 -0.02 -0.17 -0.04 7.38 7.19 3lcbB1 PHE 235 HZ 0.02 0.01 -0.12 -0.04 7.32 7.19 3lcbB1 ILE 236 H 0.48 0.11 0.15 -0.55 8.25 8.45 3lcbB1 ILE 236 HA 0.11 0.25 0.89 -0.75 4.18 4.67 3lcbB1 ILE 236 HB 0.34 -0.07 0.14 -0.04 1.89 2.25 3lcbB1 ILE 236 HG12 0.17 0.08 -0.11 -0.04 1.49 1.59 3lcbB1 ILE 236 HG13 0.49 -0.07 -0.08 -0.04 1.21 1.51 3lcbB1 ILE 236 HG23 0.15 -0.02 -0.10 -0.04 0.93 0.92 3lcbB1 ILE 236 HD13 0.16 -0.00 -0.06 -0.04 0.88 0.93 3lcbB1 ASP 237 H 0.02 0.54 0.31 -0.55 8.40 8.73 3lcbB1 ASP 237 HA 0.34 0.05 0.34 -0.75 4.63 4.61 3lcbB1 ASP 237 HB2 0.20 0.05 0.09 -0.04 2.71 3.01 3lcbB1 ASP 237 HB3 0.05 0.01 0.05 -0.04 2.70 2.77 3lcbB1 THR 238 H -0.32 0.27 0.10 -0.55 8.28 7.78 3lcbB1 THR 238 HA -2.32 0.11 0.37 -0.75 4.39 1.79 3lcbB1 THR 238 HB -0.69 0.04 -0.16 -0.04 4.32 3.47 3lcbB1 THR 238 HG23 -1.05 -0.03 -0.31 -0.04 1.22 -0.21 3lcbB1 CYS 239 H -0.57 0.31 0.14 -0.55 8.50 7.83 3lcbB1 CYS 239 HA -0.39 0.39 0.76 -0.75 4.58 4.59 3lcbB1 CYS 239 HB2 -0.12 0.02 -0.07 -0.04 2.97 2.75 3lcbB1 CYS 239 HB3 -0.49 -0.02 0.05 -0.04 2.97 2.46 3lcbB1 LEU 240 H -0.30 0.39 0.18 -0.55 8.37 8.09 3lcbB1 LEU 240 HA -0.09 0.12 0.97 -0.75 4.35 4.61 3lcbB1 LEU 240 HB2 0.02 0.02 0.11 -0.04 1.64 1.74 3lcbB1 LEU 240 HB3 0.01 -0.07 -0.04 -0.04 1.64 1.49 3lcbB1 LEU 240 HG -0.21 -0.02 -0.38 -0.04 1.64 0.99 3lcbB1 LEU 240 HD13 0.26 0.01 -0.18 -0.04 0.93 0.98 3lcbB1 LEU 240 HD23 -0.11 0.02 -0.12 -0.04 0.89 0.64 3lcbB1 THR 241 H 0.05 0.15 0.14 -0.55 8.28 8.07 3lcbB1 THR 241 HA 0.04 0.82 0.95 -0.75 4.39 5.45 3lcbB1 THR 241 HB 0.10 0.06 0.12 -0.04 4.32 4.56 3lcbB1 THR 241 HG23 0.02 -0.00 -0.17 -0.04 1.22 1.02 3lcbB1 THR 242 H 0.04 0.02 -0.06 -0.55 8.28 7.73 3lcbB1 THR 242 HA 0.03 0.22 0.88 -0.75 4.39 4.77 3lcbB1 THR 242 HB 0.04 -0.01 0.17 -0.04 4.32 4.47 3lcbB1 THR 242 HG23 0.03 -0.15 -0.01 -0.04 1.22 1.05 3lcbB1 THR 243 H 0.02 0.24 0.24 -0.55 8.28 8.23 3lcbB1 THR 243 HA 0.00 0.24 0.59 -0.75 4.39 4.47 3lcbB1 THR 243 HB -0.00 0.18 0.20 -0.04 4.32 4.65 3lcbB1 THR 243 HG23 0.02 -0.02 0.17 -0.04 1.22 1.35 3lcbB1 ALA 244 H 0.05 0.10 -0.05 -0.55 8.40 7.95 3lcbB1 ALA 244 HA 0.14 0.10 0.47 -0.75 4.34 4.30 3lcbB1 ALA 244 HB3 0.11 0.02 0.05 -0.04 1.41 1.55 3lcbB1 GLU 245 H 0.02 0.01 -0.27 -0.55 8.60 7.81 3lcbB1 GLU 245 HA -0.02 0.07 0.45 -0.75 4.29 4.04 3lcbB1 GLU 245 HB2 0.03 0.05 0.13 -0.04 2.09 2.25 3lcbB1 GLU 245 HB3 0.04 0.06 -0.01 -0.04 1.99 2.04 3lcbB1 GLU 245 HG2 0.04 0.03 0.06 -0.04 2.34 2.42 3lcbB1 GLU 245 HG3 0.03 -0.06 0.05 -0.04 2.34 2.31 3lcbB1 ALA 246 H 0.02 0.54 -0.16 -0.55 8.40 8.26 3lcbB1 ALA 246 HA 0.05 0.01 0.41 -0.75 4.34 4.05 3lcbB1 ALA 246 HB3 0.02 0.05 0.07 -0.04 1.41 1.51 3lcbB1 SER 247 H 0.02 0.47 -0.15 -0.55 8.46 8.26 3lcbB1 SER 247 HA 0.08 0.04 0.34 -0.75 4.49 4.20 3lcbB1 SER 247 HB2 0.10 0.06 0.11 -0.04 3.95 4.19 3lcbB1 SER 247 HB3 0.09 0.07 0.10 -0.04 3.93 4.15 3lcbB1 ILE 248 H -0.14 0.45 -0.25 -0.55 8.25 7.77 3lcbB1 ILE 248 HA -0.10 -0.06 0.44 -0.75 4.18 3.70 3lcbB1 ILE 248 HB -0.13 0.16 0.15 -0.04 1.89 2.04 3lcbB1 ILE 248 HG12 -0.35 -0.08 -0.03 -0.04 1.49 0.99 3lcbB1 ILE 248 HG13 -0.92 -0.04 -0.01 -0.04 1.21 0.20 3lcbB1 ILE 248 HG23 -0.08 -0.00 -0.16 -0.04 0.93 0.64 3lcbB1 ILE 248 HD13 -0.27 -0.02 -0.09 -0.04 0.88 0.47 3lcbB1 VAL 249 H -0.04 0.40 -0.13 -0.55 8.24 7.92 3lcbB1 VAL 249 HA -0.20 0.00 0.43 -0.75 4.13 3.61 3lcbB1 VAL 249 HB -0.19 0.09 0.11 -0.04 2.12 2.08 3lcbB1 VAL 249 HG13 -1.24 -0.03 -0.14 -0.04 0.97 -0.48 3lcbB1 VAL 249 HG23 -0.02 0.06 -0.01 -0.04 0.95 0.94 3lcbB1 PHE 250 H 0.16 0.48 -0.29 -0.55 8.34 8.14 3lcbB1 PHE 250 HA -0.02 0.15 0.64 -0.75 4.62 4.64 3lcbB1 PHE 250 HB2 -0.01 0.08 0.03 -0.04 3.15 3.20 3lcbB1 PHE 250 HB3 0.05 -0.08 0.11 -0.04 3.06 3.10 3lcbB1 PHE 250 HD2 0.05 0.10 -0.04 -0.04 7.28 7.35 3lcbB1 PHE 250 HE2 -0.18 -0.04 -0.11 -0.04 7.38 7.02 3lcbB1 PHE 250 HZ -0.90 -0.04 -0.10 -0.04 7.32 6.24 3lcbB1 GLY 251 H -0.04 0.35 -0.74 -0.55 8.43 7.45 3lcbB1 GLY 251 HA2 0.14 -0.01 0.31 -0.51 4.01 3.93 3lcbB1 GLY 251 HA3 -0.01 0.00 0.27 -0.51 4.01 3.76 3lcbB1 PHE 252 H 0.39 0.07 0.12 -0.55 8.34 8.36 3lcbB1 PHE 252 HA 0.06 0.16 0.32 -0.75 4.62 4.41 3lcbB1 PHE 252 HB2 0.03 -0.01 0.10 -0.04 3.15 3.23 3lcbB1 PHE 252 HB3 0.03 -0.01 0.13 -0.04 3.06 3.16 3lcbB1 PHE 252 HD2 0.01 -0.05 -0.03 -0.04 7.28 7.16 3lcbB1 PHE 252 HE2 0.00 -0.03 -0.10 -0.04 7.38 7.21 3lcbB1 PHE 252 HZ 0.00 0.01 -0.22 -0.04 7.32 7.08 3lcbB1 ALA 253 H -0.77 0.02 -0.40 -0.55 8.40 6.70 3lcbB1 ALA 253 HA -0.43 0.27 0.53 -0.75 4.34 3.95 3lcbB1 ALA 253 HB3 -0.68 -0.04 -0.25 -0.04 1.41 0.40 3lcbB1 ARG 254 H -0.21 0.44 -0.51 -0.55 8.46 7.63 3lcbB1 ARG 254 HA -0.21 -0.17 0.84 -0.75 4.34 4.05 3lcbB1 ARG 254 HB2 -0.22 0.28 -0.03 -0.04 1.90 1.88 3lcbB1 ARG 254 HB3 -0.30 0.11 0.04 -0.04 1.80 1.60 3lcbB1 ARG 254 HG2 -0.21 -0.10 -0.09 -0.04 1.67 1.23 3lcbB1 ARG 254 HG3 -0.20 -0.16 -0.29 -0.04 1.67 0.98 3lcbB1 ARG 254 HD2 -0.20 0.05 -0.07 -0.04 3.22 2.96 3lcbB1 ARG 254 HD3 -0.24 0.04 -0.00 -0.04 3.22 2.98 3lcbB1 SER 255 H -0.23 -0.07 0.15 -0.55 8.46 7.76 3lcbB1 SER 255 HA -0.40 0.11 0.65 -0.75 4.49 4.10 3lcbB1 SER 255 HB2 -0.20 -0.02 0.08 -0.04 3.95 3.77 3lcbB1 SER 255 HB3 -0.18 0.10 0.15 -0.04 3.93 3.96 3lcbB1 TYR 256 H -0.55 0.05 0.18 -0.55 8.29 7.42 3lcbB1 TYR 256 HA -0.01 0.12 0.59 -0.75 4.56 4.50 3lcbB1 TYR 256 HB2 0.08 -0.06 0.06 -0.04 3.06 3.09 3lcbB1 TYR 256 HB3 0.14 0.05 0.13 -0.04 2.98 3.26 3lcbB1 TYR 256 HD2 0.07 0.02 -0.03 -0.04 7.15 7.17 3lcbB1 TYR 256 HE2 0.06 -0.03 0.02 -0.04 6.85 6.85 3lcbB1 PHE 257 H 0.35 0.81 0.36 -0.55 8.34 9.31 3lcbB1 PHE 257 HA 0.11 0.18 0.68 -0.75 4.62 4.84 3lcbB1 PHE 257 HB2 0.30 0.11 0.13 -0.04 3.15 3.65 3lcbB1 PHE 257 HB3 0.28 -0.11 -0.17 -0.04 3.06 3.01 3lcbB1 PHE 257 HD2 0.09 0.09 -0.24 -0.04 7.28 7.19 3lcbB1 PHE 257 HE2 -1.10 -0.03 -0.22 -0.04 7.38 5.98 3lcbB1 PHE 257 HZ -1.43 -0.05 -0.16 -0.04 7.32 5.65 3lcbB1 MET 258 H 0.34 0.77 0.29 -0.55 8.47 9.33 3lcbB1 MET 258 HA 0.11 0.13 0.79 -0.75 4.52 4.80 3lcbB1 MET 258 HB2 0.24 -0.05 0.24 -0.04 2.15 2.54 3lcbB1 MET 258 HB3 0.08 -0.00 0.14 -0.04 2.03 2.20 3lcbB1 MET 258 HG2 0.10 0.08 -0.07 -0.04 2.63 2.69 3lcbB1 MET 258 HG3 0.07 -0.05 0.00 -0.04 2.56 2.54 3lcbB1 MET 258 HE3 -0.01 0.01 -0.21 -0.04 2.10 1.84 3lcbB1 VAL 259 H 0.12 0.40 -0.01 -0.55 8.24 8.20 3lcbB1 VAL 259 HA -0.06 0.27 0.88 -0.75 4.13 4.46 3lcbB1 VAL 259 HB -0.60 -0.04 -0.13 -0.04 2.12 1.31 3lcbB1 VAL 259 HG13 0.04 0.01 -0.06 -0.04 0.97 0.92 3lcbB1 VAL 259 HG23 -0.90 0.03 -0.21 -0.04 0.95 -0.17 3lcbB1 TYR 260 H 0.07 0.21 0.10 -0.55 8.29 8.11 3lcbB1 TYR 260 HA 0.01 0.08 0.61 -0.75 4.56 4.50 3lcbB1 TYR 260 HB2 -0.02 0.06 0.03 -0.04 3.06 3.09 3lcbB1 TYR 260 HB3 -0.02 -0.02 0.18 -0.04 2.98 3.08 3lcbB1 TYR 260 HD2 -0.02 0.02 -0.06 -0.04 7.15 7.05 3lcbB1 TYR 260 HE2 -0.01 0.00 -0.07 -0.04 6.85 6.73 3lcbB1 ALA 261 H -0.16 0.22 0.08 -0.55 8.40 7.99 3lcbB1 ALA 261 HA -0.07 0.22 0.90 -0.75 4.34 4.63 3lcbB1 ALA 261 HB3 0.08 -0.00 -0.09 -0.04 1.41 1.36 3lcbB1 PRO 262 HA -0.03 0.08 0.50 -0.51 4.44 4.47 3lcbB1 PRO 262 HB2 -0.02 0.02 -0.02 -0.04 2.28 2.22 3lcbB1 PRO 262 HB3 -0.02 0.03 0.08 -0.04 2.02 2.08 3lcbB1 PRO 262 HG2 0.03 0.09 0.03 -0.04 2.03 2.13 3lcbB1 PRO 262 HG3 -0.17 0.03 0.01 -0.04 2.03 1.86 3lcbB1 PRO 262 HD2 -0.07 0.14 0.15 -0.04 3.68 3.87 3lcbB1 PRO 262 HD3 -0.37 0.15 -0.34 -0.04 3.65 3.04 3lcbB1 LEU 263 H -0.01 0.14 -0.35 -0.55 8.37 7.60 3lcbB1 LEU 263 HA -0.04 0.18 0.53 -0.75 4.35 4.26 3lcbB1 LEU 263 HB2 -0.00 0.12 -0.10 -0.04 1.64 1.61 3lcbB1 LEU 263 HB3 0.01 -0.03 0.12 -0.04 1.64 1.70 3lcbB1 LEU 263 HG 0.01 -0.22 -0.10 -0.04 1.64 1.30 3lcbB1 LEU 263 HD13 0.00 0.08 -0.03 -0.04 0.93 0.94 3lcbB1 LEU 263 HD23 0.06 0.01 0.02 -0.04 0.89 0.95 3lcbB1 PRO 264 HA 0.06 0.12 0.31 -0.51 4.44 4.42 3lcbB1 PRO 264 HB2 0.25 -0.02 0.00 -0.04 2.28 2.47 3lcbB1 PRO 264 HB3 0.16 0.14 0.08 -0.04 2.02 2.37 3lcbB1 PRO 264 HG2 -0.16 -0.03 0.09 -0.04 2.03 1.89 3lcbB1 PRO 264 HG3 0.01 0.23 0.08 -0.04 2.03 2.31 3lcbB1 PRO 264 HD2 -0.09 -0.02 0.16 -0.04 3.68 3.68 3lcbB1 PRO 264 HD3 -0.14 0.31 0.06 -0.04 3.65 3.83 3lcbB1 ALA 265 H 0.02 0.18 -0.02 -0.55 8.40 8.03 3lcbB1 ALA 265 HA -0.02 0.05 0.40 -0.75 4.34 4.02 3lcbB1 ALA 265 HB3 0.00 0.03 0.08 -0.04 1.41 1.48 3lcbB1 ALA 266 H 0.03 0.17 -0.36 -0.55 8.40 7.70 3lcbB1 ALA 266 HA 0.07 0.09 0.55 -0.75 4.34 4.30 3lcbB1 ALA 266 HB3 0.06 0.06 0.06 -0.04 1.41 1.55 3lcbB1 LEU 267 H 0.04 0.27 -0.07 -0.55 8.37 8.06 3lcbB1 LEU 267 HA 0.14 0.05 0.50 -0.75 4.35 4.28 3lcbB1 LEU 267 HB2 0.03 0.00 0.09 -0.04 1.64 1.73 3lcbB1 LEU 267 HB3 0.06 0.07 0.13 -0.04 1.64 1.85 3lcbB1 LEU 267 HG 0.23 0.00 -0.17 -0.04 1.64 1.66 3lcbB1 LEU 267 HD13 0.15 0.00 0.01 -0.04 0.93 1.05 3lcbB1 LEU 267 HD23 0.03 0.01 -0.10 -0.04 0.89 0.79 3lcbB1 VAL 268 H -0.04 0.66 -0.06 -0.55 8.24 8.25 3lcbB1 VAL 268 HA -0.05 0.08 0.47 -0.75 4.13 3.87 3lcbB1 VAL 268 HB -0.27 0.05 0.11 -0.04 2.12 1.96 3lcbB1 VAL 268 HG13 -0.20 -0.01 -0.17 -0.04 0.97 0.55 3lcbB1 VAL 268 HG23 -0.79 0.00 -0.16 -0.04 0.95 -0.04 3lcbB1 GLU 269 H 0.01 0.45 -0.22 -0.55 8.60 8.30 3lcbB1 GLU 269 HA -0.00 -0.02 0.30 -0.75 4.29 3.82 3lcbB1 GLU 269 HB2 0.02 0.18 0.20 -0.04 2.09 2.45 3lcbB1 GLU 269 HB3 0.09 0.07 0.11 -0.04 1.99 2.22 3lcbB1 GLU 269 HG2 0.01 -0.02 -0.04 -0.04 2.34 2.26 3lcbB1 GLU 269 HG3 0.04 0.02 -0.08 -0.04 2.34 2.27 3lcbB1 TRP 270 H 0.27 0.61 -0.15 -0.55 7.97 8.16 3lcbB1 TRP 270 HA 0.00 0.01 0.41 -0.75 4.62 4.29 3lcbB1 TRP 270 HB2 0.03 0.02 0.10 -0.04 3.23 3.34 3lcbB1 TRP 270 HB3 0.03 0.09 0.11 -0.04 3.23 3.41 3lcbB1 TRP 270 HD1 0.04 -0.02 -0.03 -0.04 7.22 7.17 3lcbB1 TRP 270 HE1 0.05 -0.02 -0.11 -0.04 10.20 10.08 3lcbB1 TRP 270 HE3 0.06 0.09 -0.19 -0.04 7.59 7.50 3lcbB1 TRP 270 HZ2 0.07 0.10 -0.06 -0.04 7.44 7.51 3lcbB1 TRP 270 HZ3 0.04 -0.00 -0.15 -0.04 7.13 6.98 3lcbB1 TRP 270 HH2 0.08 0.08 -0.27 -0.04 7.19 7.03 3lcbB1 LEU 271 H 0.22 0.46 -0.34 -0.55 8.37 8.17 3lcbB1 LEU 271 HA -0.19 -0.02 0.31 -0.75 4.35 3.69 3lcbB1 LEU 271 HB2 0.06 0.20 0.23 -0.04 1.64 2.10 3lcbB1 LEU 271 HB3 -0.13 -0.03 -0.07 -0.04 1.64 1.37 3lcbB1 LEU 271 HG -0.39 -0.04 -0.05 -0.04 1.64 1.12 3lcbB1 LEU 271 HD13 0.21 -0.02 -0.06 -0.04 0.93 1.02 3lcbB1 LEU 271 HD23 0.19 0.02 -0.09 -0.04 0.89 0.96 3lcbB1 ARG 272 H -0.07 0.46 -0.26 -0.55 8.46 8.03 3lcbB1 ARG 272 HA -0.10 0.07 0.16 -0.75 4.34 3.72 3lcbB1 ARG 272 HB2 -0.07 0.15 0.05 -0.04 1.90 1.99 3lcbB1 ARG 272 HB3 -0.06 -0.03 -0.10 -0.04 1.80 1.56 3lcbB1 ARG 272 HG2 -0.05 -0.02 -0.03 -0.04 1.67 1.53 3lcbB1 ARG 272 HG3 -0.04 0.09 -0.01 -0.04 1.67 1.67 3lcbB1 ARG 272 HD2 -0.03 -0.04 -0.03 -0.04 3.22 3.09 3lcbB1 ARG 272 HD3 -0.03 0.02 -0.04 -0.04 3.22 3.13 3lcbB1 GLU 273 H -0.20 0.29 -0.33 -0.55 8.60 7.81 3lcbB1 GLU 273 HA -0.12 0.02 0.35 -0.75 4.29 3.78 3lcbB1 GLU 273 HB2 -0.20 0.02 0.07 -0.04 2.09 1.93 3lcbB1 GLU 273 HB3 -0.32 0.04 -0.04 -0.04 1.99 1.63 3lcbB1 GLU 273 HG2 -0.13 0.02 -0.04 -0.04 2.34 2.15 3lcbB1 GLU 273 HG3 -0.10 -0.03 0.04 -0.04 2.34 2.21 3lcbB1 ILE 274 H -0.31 0.43 -0.21 -0.55 8.25 7.61 3lcbB1 ILE 274 HA -0.17 0.04 0.50 -0.75 4.18 3.79 3lcbB1 ILE 274 HB -0.35 0.16 0.07 -0.04 1.89 1.73 3lcbB1 ILE 274 HG12 -0.62 0.04 -0.09 -0.04 1.49 0.78 3lcbB1 ILE 274 HG13 -0.39 -0.01 -0.13 -0.04 1.21 0.64 3lcbB1 ILE 274 HG23 -0.17 -0.04 -0.09 -0.04 0.93 0.59 3lcbB1 ILE 274 HD13 -0.19 -0.03 -0.23 -0.04 0.88 0.39 3lcbB1 LEU 275 H -0.19 0.41 -0.32 -0.55 8.37 7.72 3lcbB1 LEU 275 HA -0.10 0.10 0.81 -0.75 4.35 4.41 3lcbB1 LEU 275 HB2 -0.22 0.04 -0.04 -0.04 1.64 1.38 3lcbB1 LEU 275 HB3 -0.13 -0.13 0.05 -0.04 1.64 1.38 3lcbB1 LEU 275 HG -0.39 -0.02 -0.49 -0.04 1.64 0.69 3lcbB1 LEU 275 HD13 -1.09 -0.00 -0.12 -0.04 0.93 -0.32 3lcbB1 LEU 275 HD23 -0.10 0.02 -0.23 -0.04 0.89 0.55 3lcbB1 PRO 276 HA -0.05 0.17 0.35 -0.51 4.44 4.40 3lcbB1 PRO 276 HB2 -0.02 -0.04 -0.06 -0.04 2.28 2.12 3lcbB1 PRO 276 HB3 -0.04 0.06 0.07 -0.04 2.02 2.07 3lcbB1 PRO 276 HG2 -0.02 -0.10 0.02 -0.04 2.03 1.89 3lcbB1 PRO 276 HG3 -0.03 0.06 0.03 -0.04 2.03 2.05 3lcbB1 PRO 276 HD2 -0.05 0.10 -0.03 -0.04 3.68 3.66 3lcbB1 PRO 276 HD3 -0.08 0.33 -0.42 -0.04 3.65 3.44 3lcbB1 GLY 277 H -0.01 0.07 -0.27 -0.55 8.43 7.67 3lcbB1 GLY 277 HA2 -0.01 0.05 0.34 -0.51 4.01 3.88 3lcbB1 GLY 277 HA3 0.01 -0.05 0.22 -0.51 4.01 3.68 3lcbB1 LYS 278 H -0.02 0.28 -0.36 -0.55 8.42 7.76 3lcbB1 LYS 278 HA 0.01 -0.05 0.26 -0.75 4.32 3.79 3lcbB1 LYS 278 HB2 -0.03 0.14 -0.01 -0.04 1.87 1.93 3lcbB1 LYS 278 HB3 0.02 -0.08 -0.07 -0.04 1.79 1.61 3lcbB1 LYS 278 HG2 0.03 -0.12 -0.10 -0.04 1.46 1.23 3lcbB1 LYS 278 HG3 -0.03 0.04 -0.04 -0.04 1.46 1.39 3lcbB1 LYS 278 HD2 0.04 0.04 -0.11 -0.04 1.69 1.62 3lcbB1 LYS 278 HD3 0.08 -0.09 -0.11 -0.04 1.68 1.52 3lcbB1 LYS 278 HE2 0.10 -0.14 -0.09 -0.04 2.99 2.83 3lcbB1 LYS 278 HE3 0.13 0.04 -0.12 -0.04 2.99 3.01 3lcbB1 THR 279 H 0.02 0.04 0.17 -0.55 8.28 7.95 3lcbB1 THR 279 HA 0.02 0.29 0.72 -0.75 4.39 4.67 3lcbB1 THR 279 HB 0.05 -0.07 0.17 -0.04 4.32 4.42 3lcbB1 THR 279 HG23 0.02 0.06 0.05 -0.04 1.22 1.31 3lcbB1 THR 280 H 0.06 0.21 0.14 -0.55 8.28 8.14 3lcbB1 THR 280 HA 0.05 0.13 0.32 -0.75 4.39 4.14 3lcbB1 THR 280 HB 0.12 -0.03 0.07 -0.04 4.32 4.44 3lcbB1 THR 280 HG23 0.24 0.01 -0.03 -0.04 1.22 1.39 3lcbB1 ALA 281 H 0.10 0.11 -0.16 -0.55 8.40 7.90 3lcbB1 ALA 281 HA 0.14 0.05 0.45 -0.75 4.34 4.22 3lcbB1 ALA 281 HB3 0.08 0.04 -0.01 -0.04 1.41 1.47 3lcbB1 GLU 282 H 0.07 0.08 -0.35 -0.55 8.60 7.86 3lcbB1 GLU 282 HA 0.11 0.09 0.51 -0.75 4.29 4.25 3lcbB1 GLU 282 HB2 0.05 -0.00 0.13 -0.04 2.09 2.23 3lcbB1 GLU 282 HB3 0.08 0.10 -0.04 -0.04 1.99 2.09 3lcbB1 GLU 282 HG2 0.07 0.07 0.02 -0.04 2.34 2.45 3lcbB1 GLU 282 HG3 0.03 -0.08 -0.03 -0.04 2.34 2.23 3lcbB1 LEU 283 H 0.06 0.50 -0.12 -0.55 8.37 8.27 3lcbB1 LEU 283 HA 0.05 0.10 0.38 -0.75 4.35 4.13 3lcbB1 LEU 283 HB2 -0.04 0.02 0.06 -0.04 1.64 1.64 3lcbB1 LEU 283 HB3 -0.11 -0.06 -0.08 -0.04 1.64 1.35 3lcbB1 LEU 283 HG -0.08 0.04 -0.06 -0.04 1.64 1.51 3lcbB1 LEU 283 HD13 -0.10 0.00 -0.10 -0.04 0.93 0.70 3lcbB1 LEU 283 HD23 -0.03 0.01 -0.29 -0.04 0.89 0.53 3lcbB1 TYR 284 H 0.17 0.49 -0.16 -0.55 8.29 8.24 3lcbB1 TYR 284 HA 0.11 0.01 0.43 -0.75 4.56 4.36 3lcbB1 TYR 284 HB2 0.08 0.10 0.11 -0.04 3.06 3.30 3lcbB1 TYR 284 HB3 0.10 0.08 -0.06 -0.04 2.98 3.07 3lcbB1 TYR 284 HD2 0.09 0.06 -0.06 -0.04 7.15 7.20 3lcbB1 TYR 284 HE2 0.03 -0.05 -0.09 -0.04 6.85 6.70 3lcbB1 MET 285 H 0.17 0.38 -0.23 -0.55 8.47 8.24 3lcbB1 MET 285 HA -0.12 -0.06 0.23 -0.75 4.52 3.82 3lcbB1 MET 285 HB2 0.11 0.14 0.25 -0.04 2.15 2.61 3lcbB1 MET 285 HB3 0.16 0.13 0.07 -0.04 2.03 2.35 3lcbB1 MET 285 HG2 0.21 0.06 -0.03 -0.04 2.63 2.84 3lcbB1 MET 285 HG3 -0.01 -0.08 0.02 -0.04 2.56 2.45 3lcbB1 MET 285 HE3 0.19 0.02 0.01 -0.04 2.10 2.28 3lcbB1 ALA 286 H 0.20 0.50 -0.21 -0.55 8.40 8.34 3lcbB1 ALA 286 HA 0.34 0.08 0.32 -0.75 4.34 4.33 3lcbB1 ALA 286 HB3 0.43 0.05 0.07 -0.04 1.41 1.92 3lcbB1 ILE 287 H 0.25 0.32 -0.28 -0.55 8.25 7.99 3lcbB1 ILE 287 HA 0.41 0.14 0.68 -0.75 4.18 4.65 3lcbB1 ILE 287 HB 0.24 -0.04 0.16 -0.04 1.89 2.22 3lcbB1 ILE 287 HG12 0.14 0.23 0.10 -0.04 1.49 1.91 3lcbB1 ILE 287 HG13 0.24 0.03 -0.02 -0.04 1.21 1.42 3lcbB1 ILE 287 HG23 0.36 0.01 -0.07 -0.04 0.93 1.19 3lcbB1 ILE 287 HD13 0.11 -0.05 -0.02 -0.04 0.88 0.88 3lcbB1 GLY 288 H 0.15 0.48 -0.49 -0.55 8.43 8.02 3lcbB1 GLY 288 HA2 0.11 0.03 0.31 -0.51 4.01 3.95 3lcbB1 GLY 288 HA3 0.35 0.17 0.46 -0.51 4.01 4.48 3lcbB1 CYS 289 H 0.20 0.33 -0.29 -0.55 8.50 8.19 3lcbB1 CYS 289 HA 0.06 0.07 0.69 -0.75 4.58 4.64 3lcbB1 CYS 289 HB2 0.30 0.03 0.13 -0.04 2.97 3.39 3lcbB1 CYS 289 HB3 0.06 -0.18 0.09 -0.04 2.97 2.90 3lcbB1 GLN 290 H -0.04 0.49 0.12 -0.55 8.47 8.49 3lcbB1 GLN 290 HA -0.15 0.12 0.39 -0.75 4.36 3.96 3lcbB1 GLN 290 HB2 -0.08 0.02 0.03 -0.04 2.15 2.08 3lcbB1 GLN 290 HB3 -0.53 0.13 0.06 -0.04 2.02 1.64 3lcbB1 GLN 290 HG2 0.00 0.19 0.13 -0.04 2.40 2.68 3lcbB1 GLN 290 HG3 -0.05 -0.26 0.21 -0.04 2.39 2.25 3lcbB1 GLN 290 HE21 0.07 0.02 0.06 -0.04 6.97 7.08 3lcbB1 GLN 290 HE22 0.06 -0.01 0.11 -0.04 7.69 7.81 3lcbB1 LYS 291 H -0.16 0.16 0.05 -0.55 8.42 7.92 3lcbB1 LYS 291 HA -0.18 0.17 0.49 -0.75 4.32 4.04 3lcbB1 LYS 291 HB2 -0.75 -0.02 0.11 -0.04 1.87 1.17 3lcbB1 LYS 291 HB3 -0.60 0.03 -0.03 -0.04 1.79 1.15 3lcbB1 LYS 291 HG2 -0.31 0.03 0.04 -0.04 1.46 1.17 3lcbB1 LYS 291 HG3 -1.02 0.02 0.06 -0.04 1.46 0.49 3lcbB1 LYS 291 HD2 -0.40 -0.00 -0.01 -0.04 1.69 1.24 3lcbB1 LYS 291 HD3 -0.26 -0.02 0.04 -0.04 1.68 1.40 3lcbB1 LYS 291 HE2 -0.08 0.03 0.02 -0.04 2.99 2.91 3lcbB1 LYS 291 HE3 -0.02 0.03 0.01 -0.04 2.99 2.96 3lcbB1 HIS 292 H 0.00 0.11 -0.28 -0.55 8.41 7.69 3lcbB1 HIS 292 HA -0.10 0.12 0.67 -0.75 4.63 4.57 3lcbB1 HIS 292 HB2 -0.12 -0.00 0.05 -0.04 3.26 3.15 3lcbB1 HIS 292 HB3 -0.27 0.10 -0.01 -0.04 3.20 2.98 3lcbB1 HIS 292 HD2 -1.65 0.07 -0.19 -0.04 6.97 5.15 3lcbB1 HIS 292 HE1 -0.20 0.06 -0.16 -0.04 7.75 7.41 3lcbB1 ALA 293 H -0.03 0.35 -0.30 -0.55 8.40 7.87 3lcbB1 ALA 293 HA -0.03 -0.05 0.51 -0.75 4.34 4.02 3lcbB1 ALA 293 HB3 0.05 0.10 0.10 -0.04 1.41 1.62 3lcbB1 LYS 294 H -0.05 0.30 -0.47 -0.55 8.42 7.64 3lcbB1 LYS 294 HA 0.10 0.04 0.42 -0.75 4.32 4.13 3lcbB1 LYS 294 HB2 -0.07 0.10 0.12 -0.04 1.87 1.98 3lcbB1 LYS 294 HB3 -0.09 0.16 0.13 -0.04 1.79 1.95 3lcbB1 LYS 294 HG2 -0.20 -0.01 -0.20 -0.04 1.46 1.01 3lcbB1 LYS 294 HG3 -0.09 -0.05 -0.02 -0.04 1.46 1.26 3lcbB1 LYS 294 HD2 -0.30 -0.03 0.00 -0.04 1.69 1.32 3lcbB1 LYS 294 HD3 -0.25 -0.02 0.03 -0.04 1.68 1.39 3lcbB1 LYS 294 HE2 -0.74 -0.05 -0.03 -0.04 2.99 2.12 3lcbB1 LYS 294 HE3 -2.18 -0.04 -0.09 -0.04 2.99 0.64 3lcbB1 THR 295 H -0.07 0.30 -0.15 -0.55 8.28 7.81 3lcbB1 THR 295 HA 0.07 0.06 0.42 -0.75 4.39 4.19 3lcbB1 THR 295 HB -0.31 0.15 0.17 -0.04 4.32 4.29 3lcbB1 THR 295 HG23 -0.04 -0.00 -0.15 -0.04 1.22 0.99 3lcbB1 GLU 296 H -0.19 0.49 -0.26 -0.55 8.60 8.09 3lcbB1 GLU 296 HA -0.04 0.04 0.32 -0.75 4.29 3.87 3lcbB1 GLU 296 HB2 -0.04 0.11 0.16 -0.04 2.09 2.28 3lcbB1 GLU 296 HB3 0.03 -0.16 -0.03 -0.04 1.99 1.79 3lcbB1 GLU 296 HG2 -0.68 0.14 0.00 -0.04 2.34 1.76 3lcbB1 GLU 296 HG3 -0.19 -0.02 -0.13 -0.04 2.34 1.95 3lcbB1 SER 297 H 0.07 0.70 -0.06 -0.55 8.46 8.62 3lcbB1 SER 297 HA 0.12 -0.10 0.39 -0.75 4.49 4.15 3lcbB1 SER 297 HB2 0.14 -0.04 -0.03 -0.04 3.95 3.98 3lcbB1 SER 297 HB3 0.10 -0.04 0.07 -0.04 3.93 4.03 3lcbB1 TYR 298 H 0.32 0.58 -0.25 -0.55 8.29 8.39 3lcbB1 TYR 298 HA 0.23 -0.02 0.41 -0.75 4.56 4.43 3lcbB1 TYR 298 HB2 0.37 0.01 0.07 -0.04 3.06 3.47 3lcbB1 TYR 298 HB3 0.14 0.16 0.12 -0.04 2.98 3.36 3lcbB1 TYR 298 HD2 0.04 0.03 -0.03 -0.04 7.15 7.14 3lcbB1 TYR 298 HE2 -0.16 -0.00 -0.02 -0.04 6.85 6.62 3lcbB1 ARG 299 H 0.08 0.46 -0.14 -0.55 8.46 8.32 3lcbB1 ARG 299 HA -0.24 0.05 0.62 -0.75 4.34 4.02 3lcbB1 ARG 299 HB2 0.05 0.10 0.25 -0.04 1.90 2.26 3lcbB1 ARG 299 HB3 0.09 -0.09 0.08 -0.04 1.80 1.84 3lcbB1 ARG 299 HG2 -0.23 0.20 0.19 -0.04 1.67 1.78 3lcbB1 ARG 299 HG3 0.00 0.24 0.16 -0.04 1.67 2.02 3lcbB1 ARG 299 HD2 0.05 -0.11 0.02 -0.04 3.22 3.15 3lcbB1 ARG 299 HD3 0.16 -0.11 0.08 -0.04 3.22 3.31 3lcbB1 GLU 300 H 0.09 0.59 0.06 -0.55 8.60 8.79 3lcbB1 GLU 300 HA 0.10 -0.00 0.34 -0.75 4.29 3.97 3lcbB1 GLU 300 HB2 0.15 0.08 0.09 -0.04 2.09 2.37 3lcbB1 GLU 300 HB3 0.12 -0.03 0.08 -0.04 1.99 2.12 3lcbB1 GLU 300 HG2 0.09 -0.02 0.05 -0.04 2.34 2.42 3lcbB1 GLU 300 HG3 0.09 0.42 -0.01 -0.04 2.34 2.80 3lcbB1 TYR 301 H 0.22 0.66 -0.24 -0.55 8.29 8.38 3lcbB1 TYR 301 HA 0.07 -0.02 0.55 -0.75 4.56 4.40 3lcbB1 TYR 301 HB2 0.25 -0.05 0.05 -0.04 3.06 3.27 3lcbB1 TYR 301 HB3 0.04 0.16 0.19 -0.04 2.98 3.32 3lcbB1 TYR 301 HD2 -0.21 0.04 0.02 -0.04 7.15 6.96 3lcbB1 TYR 301 HE2 0.22 0.00 -0.04 -0.04 6.85 6.98 3lcbB1 LEU 302 H -0.24 0.59 -0.00 -0.55 8.37 8.17 3lcbB1 LEU 302 HA -0.57 -0.04 0.42 -0.75 4.35 3.41 3lcbB1 LEU 302 HB2 -0.37 0.21 0.32 -0.04 1.64 1.75 3lcbB1 LEU 302 HB3 -0.09 -0.03 -0.00 -0.04 1.64 1.48 3lcbB1 LEU 302 HG -0.17 -0.06 0.06 -0.04 1.64 1.44 3lcbB1 LEU 302 HD13 -0.46 0.01 0.05 -0.04 0.93 0.48 3lcbB1 LEU 302 HD23 -0.38 0.00 0.00 -0.04 0.89 0.47 3lcbB1 VAL 303 H -0.04 0.46 -0.35 -0.55 8.24 7.77 3lcbB1 VAL 303 HA -0.02 0.04 0.45 -0.75 4.13 3.84 3lcbB1 VAL 303 HB 0.06 0.06 0.09 -0.04 2.12 2.29 3lcbB1 VAL 303 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 3lcbB1 VAL 303 HG23 0.09 0.01 -0.04 -0.04 0.95 0.96 3lcbB1 TYR 304 H 0.05 0.43 -0.14 -0.55 8.29 8.08 3lcbB1 TYR 304 HA -0.06 0.06 0.56 -0.75 4.56 4.36 3lcbB1 TYR 304 HB2 0.04 0.03 0.16 -0.04 3.06 3.25 3lcbB1 TYR 304 HB3 -0.29 0.10 0.22 -0.04 2.98 2.98 3lcbB1 TYR 304 HD2 -0.18 0.04 -0.12 -0.04 7.15 6.85 3lcbB1 TYR 304 HE2 -0.04 -0.01 -0.11 -0.04 6.85 6.64 3lcbB1 LEU 305 H -0.26 0.62 -0.01 -0.55 8.37 8.18 3lcbB1 LEU 305 HA -0.28 -0.02 0.31 -0.75 4.35 3.60 3lcbB1 LEU 305 HB2 -0.65 0.04 0.07 -0.04 1.64 1.07 3lcbB1 LEU 305 HB3 -0.40 0.09 0.09 -0.04 1.64 1.38 3lcbB1 LEU 305 HG -0.49 0.03 -0.01 -0.04 1.64 1.13 3lcbB1 LEU 305 HD13 -0.27 -0.02 -0.01 -0.04 0.93 0.59 3lcbB1 LEU 305 HD23 -0.33 -0.02 -0.01 -0.04 0.89 0.49 3lcbB1 GLN 306 H -0.17 0.43 -0.23 -0.55 8.47 7.96 3lcbB1 GLN 306 HA -0.08 0.09 0.62 -0.75 4.36 4.23 3lcbB1 GLN 306 HB2 -0.05 -0.07 0.13 -0.04 2.15 2.12 3lcbB1 GLN 306 HB3 -0.06 -0.03 0.11 -0.04 2.02 2.00 3lcbB1 GLN 306 HG2 -0.03 -0.09 0.01 -0.04 2.40 2.24 3lcbB1 GLN 306 HG3 -0.08 0.12 0.13 -0.04 2.39 2.52 3lcbB1 GLN 306 HE21 -0.05 -0.08 -0.06 -0.04 6.97 6.75 3lcbB1 GLN 306 HE22 -0.04 0.04 0.04 -0.04 7.69 7.69 3lcbB1 GLY 307 H -0.20 0.30 -0.49 -0.55 8.43 7.49 3lcbB1 GLY 307 HA2 -0.10 0.07 0.65 -0.51 4.01 4.11 3lcbB1 GLY 307 HA3 -0.15 0.01 0.35 -0.51 4.01 3.71 3lcbB1 CYS 308 H -0.22 0.34 -0.26 -0.55 8.50 7.83 3lcbB1 CYS 308 HA -0.15 0.12 0.69 -0.75 4.58 4.49 3lcbB1 CYS 308 HB2 -0.22 -0.14 0.12 -0.04 2.97 2.69 3lcbB1 CYS 308 HB3 -0.50 0.08 -0.16 -0.04 2.97 2.35 3lcbB1 ASN 309 H -0.09 0.11 0.02 -0.55 8.53 8.02 3lcbB1 ASN 309 HA -0.03 0.26 0.62 -0.75 4.76 4.86 3lcbB1 ASN 309 HB2 -0.01 -0.02 0.19 -0.04 2.88 2.99 3lcbB1 ASN 309 HB3 -0.02 0.10 0.04 -0.04 2.79 2.87 3lcbB1 ASN 309 HD21 -0.02 -0.02 -0.02 -0.04 7.03 6.92 3lcbB1 ASN 309 HD22 -0.02 0.02 -0.03 -0.04 7.74 7.67 3lcbB1 GLU 310 H -0.08 0.11 0.01 -0.55 8.60 8.09 3lcbB1 GLU 310 HA -0.01 0.17 0.85 -0.75 4.29 4.54 3lcbB1 GLU 310 HB2 -0.03 -0.03 0.06 -0.04 2.09 2.05 3lcbB1 GLU 310 HB3 -0.01 0.04 0.17 -0.04 1.99 2.16 3lcbB1 GLU 310 HG2 -0.03 -0.06 -0.04 -0.04 2.34 2.18 3lcbB1 GLU 310 HG3 0.03 -0.04 0.02 -0.04 2.34 2.31 3lcbB1 GLN 311 H 0.00 0.13 0.20 -0.55 8.47 8.26 3lcbB1 GLN 311 HA 0.03 0.26 1.05 -0.75 4.36 4.94 3lcbB1 GLN 311 HB2 0.04 -0.10 0.07 -0.04 2.15 2.11 3lcbB1 GLN 311 HB3 0.07 -0.02 0.01 -0.04 2.02 2.05 3lcbB1 GLN 311 HG2 0.10 0.10 0.04 -0.04 2.40 2.60 3lcbB1 GLN 311 HG3 0.05 -0.04 -0.24 -0.04 2.39 2.11 3lcbB1 GLN 311 HE21 0.01 -0.14 -0.05 -0.04 6.97 6.76 3lcbB1 GLN 311 HE22 0.03 0.44 0.08 -0.04 7.69 8.19 3lcbB1 PHE 312 H 0.24 0.68 0.33 -0.55 8.34 9.04 3lcbB1 PHE 312 HA 0.09 0.15 0.56 -0.75 4.62 4.66 3lcbB1 PHE 312 HB2 -0.08 -0.03 0.13 -0.04 3.15 3.13 3lcbB1 PHE 312 HB3 -0.14 -0.03 -0.06 -0.04 3.06 2.79 3lcbB1 PHE 312 HD2 0.17 0.03 -0.18 -0.04 7.28 7.26 3lcbB1 PHE 312 HE2 -0.37 -0.01 -0.09 -0.04 7.38 6.88 3lcbB1 PHE 312 HZ 0.18 0.01 -0.08 -0.04 7.32 7.39 3lcbB1 ILE 313 H 0.17 0.74 0.51 -0.55 8.25 9.12 3lcbB1 ILE 313 HA 0.09 0.01 0.88 -0.75 4.18 4.41 3lcbB1 ILE 313 HB 0.07 -0.04 0.14 -0.04 1.89 2.02 3lcbB1 ILE 313 HG12 0.08 0.01 0.07 -0.04 1.49 1.61 3lcbB1 ILE 313 HG13 0.11 0.08 -0.30 -0.04 1.21 1.06 3lcbB1 ILE 313 HG23 0.06 0.05 -0.07 -0.04 0.93 0.92 3lcbB1 ILE 313 HD13 0.06 -0.01 -0.02 -0.04 0.88 0.87 3lcbB1 GLU 314 H 0.09 0.03 0.11 -0.55 8.60 8.28 3lcbB1 GLU 314 HA 0.19 0.07 0.63 -0.75 4.29 4.42 3lcbB1 GLU 314 HB2 0.07 -0.09 0.09 -0.04 2.09 2.13 3lcbB1 GLU 314 HB3 0.07 -0.00 0.00 -0.04 1.99 2.02 3lcbB1 GLU 314 HG2 0.08 0.20 0.06 -0.04 2.34 2.64 3lcbB1 GLU 314 HG3 0.10 -0.06 0.07 -0.04 2.34 2.41 3lcbB1 ALA 315 H 0.11 0.59 0.35 -0.55 8.40 8.91 3lcbB1 ALA 315 HA 0.08 0.08 0.35 -0.75 4.34 4.10 3lcbB1 ALA 315 HB3 0.02 -0.02 -0.10 -0.04 1.41 1.27 3lcbB1 PRO 316 HA 0.05 0.00 0.38 -0.51 4.44 4.36 3lcbB1 PRO 316 HB2 0.05 0.01 -0.03 -0.04 2.28 2.27 3lcbB1 PRO 316 HB3 0.06 -0.02 0.07 -0.04 2.02 2.08 3lcbB1 PRO 316 HG2 0.05 0.06 0.04 -0.04 2.03 2.13 3lcbB1 PRO 316 HG3 0.05 0.03 0.07 -0.04 2.03 2.14 3lcbB1 PRO 316 HD2 0.04 0.08 0.14 -0.04 3.68 3.90 3lcbB1 PRO 316 HD3 0.06 0.23 0.16 -0.04 3.65 4.07 3lcbB1 GLY 317 H 0.06 0.07 0.14 -0.55 8.43 8.15 3lcbB1 GLY 317 HA2 0.08 -0.06 0.28 -0.51 4.01 3.80 3lcbB1 GLY 317 HA3 0.08 0.18 0.77 -0.51 4.01 4.54 3lcbB1 ILE 318 H 0.09 0.06 0.12 -0.55 8.25 7.98 3lcbB1 ILE 318 HA 0.06 0.04 0.54 -0.75 4.18 4.06 3lcbB1 ILE 318 HB 0.09 -0.04 0.11 -0.04 1.89 2.01 3lcbB1 ILE 318 HG12 0.07 0.04 0.01 -0.04 1.49 1.58 3lcbB1 ILE 318 HG13 0.08 -0.03 -0.06 -0.04 1.21 1.16 3lcbB1 ILE 318 HG23 0.06 0.05 -0.08 -0.04 0.93 0.91 3lcbB1 ILE 318 HD13 0.10 -0.01 0.02 -0.04 0.88 0.94 3lcbB1 ARG 319 H 0.05 0.07 0.16 -0.55 8.46 8.18 3lcbB1 ARG 319 HA 0.04 0.08 0.41 -0.75 4.34 4.11 3lcbB1 ARG 319 HB2 0.04 0.02 0.12 -0.04 1.90 2.04 3lcbB1 ARG 319 HB3 0.04 -0.06 0.09 -0.04 1.80 1.83 3lcbB1 ARG 319 HG2 0.04 0.20 -0.19 -0.04 1.67 1.68 3lcbB1 ARG 319 HG3 0.04 -0.06 0.10 -0.04 1.67 1.72 3lcbB1 ARG 319 HD2 0.04 -0.04 -0.01 -0.04 3.22 3.17 3lcbB1 ARG 319 HD3 0.04 0.03 0.01 -0.04 3.22 3.25 3lcbB1 GLY 320 H 0.03 0.13 0.20 -0.55 8.43 8.24 3lcbB1 GLY 320 HA2 0.01 0.00 0.55 -0.51 4.01 4.06 3lcbB1 GLY 320 HA3 0.01 0.07 0.41 -0.51 4.01 3.98 3lcbB1 MET 321 H -0.01 0.10 0.21 -0.55 8.47 8.22 3lcbB1 MET 321 HA 0.02 0.21 0.76 -0.75 4.52 4.76 3lcbB1 MET 321 HB2 -0.04 -0.05 0.11 -0.04 2.15 2.14 3lcbB1 MET 321 HB3 -0.01 -0.05 0.09 -0.04 2.03 2.02 3lcbB1 MET 321 HG2 0.01 0.04 0.04 -0.04 2.63 2.68 3lcbB1 MET 321 HG3 0.01 -0.01 0.02 -0.04 2.56 2.54 3lcbB1 MET 321 HE3 0.04 0.00 -0.02 -0.04 2.10 2.08 3lcbB1 VAL 322 H -0.07 -0.10 0.02 -0.55 8.24 7.54 3lcbB1 VAL 322 HA -0.26 0.24 0.85 -0.75 4.13 4.20 3lcbB1 VAL 322 HB -0.19 -0.07 0.07 -0.04 2.12 1.90 3lcbB1 VAL 322 HG13 -0.63 0.01 -0.13 -0.04 0.97 0.18 3lcbB1 VAL 322 HG23 -0.40 -0.01 -0.11 -0.04 0.95 0.40 3lcbB1 MET 323 H -0.04 -0.10 0.08 -0.55 8.47 7.87 3lcbB1 MET 323 HA 0.04 0.23 0.80 -0.75 4.52 4.84 3lcbB1 MET 323 HB2 -0.03 -0.03 -0.03 -0.04 2.15 2.02 3lcbB1 MET 323 HB3 -0.01 0.06 -0.11 -0.04 2.03 1.93 3lcbB1 MET 323 HG2 -0.04 -0.18 -0.10 -0.04 2.63 2.27 3lcbB1 MET 323 HG3 -0.02 0.06 -0.09 -0.04 2.56 2.48 3lcbB1 MET 323 HE3 -0.12 0.01 -0.33 -0.04 2.10 1.63 3lcbB1 LEU 324 H 0.06 0.98 0.34 -0.55 8.37 9.19 3lcbB1 LEU 324 HA 0.07 0.11 0.84 -0.75 4.35 4.63 3lcbB1 LEU 324 HB2 0.09 0.05 -0.02 -0.04 1.64 1.71 3lcbB1 LEU 324 HB3 0.12 -0.07 0.14 -0.04 1.64 1.79 3lcbB1 LEU 324 HG 0.07 -0.00 -0.13 -0.04 1.64 1.54 3lcbB1 LEU 324 HD13 0.16 -0.01 -0.25 -0.04 0.93 0.79 3lcbB1 LEU 324 HD23 0.07 0.00 -0.01 -0.04 0.89 0.90 3lcbB1 VAL 325 H 0.08 0.20 0.10 -0.55 8.24 8.07 3lcbB1 VAL 325 HA -0.04 0.47 1.16 -0.75 4.13 4.96 3lcbB1 VAL 325 HB -0.07 -0.07 -0.17 -0.04 2.12 1.77 3lcbB1 VAL 325 HG13 -0.01 -0.00 0.05 -0.04 0.97 0.97 3lcbB1 VAL 325 HG23 -0.11 0.01 -0.19 -0.04 0.95 0.62 3lcbB1 PHE 326 H -0.28 0.64 0.40 -0.55 8.34 8.54 3lcbB1 PHE 326 HA 0.09 0.08 1.07 -0.75 4.62 5.11 3lcbB1 PHE 326 HB2 0.11 0.11 -0.10 -0.04 3.15 3.23 3lcbB1 PHE 326 HB3 0.05 -0.07 -0.24 -0.04 3.06 2.75 3lcbB1 PHE 326 HD2 0.12 0.00 -0.26 -0.04 7.28 7.10 3lcbB1 PHE 326 HE2 -0.67 -0.00 -0.16 -0.04 7.38 6.50 3lcbB1 PHE 326 HZ -0.46 0.01 -0.15 -0.04 7.32 6.68 3lcbB1 THR 327 H 0.38 0.83 0.36 -0.55 8.28 9.30 3lcbB1 THR 327 HA 0.51 0.03 0.58 -0.75 4.39 4.76 3lcbB1 THR 327 HB 0.12 0.01 -0.03 -0.04 4.32 4.38 3lcbB1 THR 327 HG23 0.10 -0.02 -0.26 -0.04 1.22 1.01 3lcbB1 LEU 328 H 0.24 0.19 0.19 -0.55 8.37 8.44 3lcbB1 LEU 328 HA -0.06 0.30 0.88 -0.75 4.35 4.72 3lcbB1 LEU 328 HB2 0.01 -0.07 0.12 -0.04 1.64 1.65 3lcbB1 LEU 328 HB3 -0.01 -0.02 -0.02 -0.04 1.64 1.55 3lcbB1 LEU 328 HG -1.08 -0.05 -0.20 -0.04 1.64 0.27 3lcbB1 LEU 328 HD13 -0.37 0.01 -0.07 -0.04 0.93 0.46 3lcbB1 LEU 328 HD23 -0.60 0.03 -0.35 -0.04 0.89 -0.08 3lcbB1 PRO 329 HA 0.06 0.10 0.26 -0.51 4.44 4.35 3lcbB1 PRO 329 HB2 0.05 -0.01 0.05 -0.04 2.28 2.34 3lcbB1 PRO 329 HB3 0.05 0.05 0.11 -0.04 2.02 2.18 3lcbB1 PRO 329 HG2 0.03 -0.04 0.17 -0.04 2.03 2.14 3lcbB1 PRO 329 HG3 0.04 0.07 0.15 -0.04 2.03 2.24 3lcbB1 PRO 329 HD2 0.00 -0.01 0.18 -0.04 3.68 3.81 3lcbB1 PRO 329 HD3 0.01 0.39 0.34 -0.04 3.65 4.35 3lcbB1 GLY 330 H 0.17 -0.04 -0.31 -0.55 8.43 7.71 3lcbB1 GLY 330 HA2 0.10 0.23 0.87 -0.51 4.01 4.70 3lcbB1 GLY 330 HA3 0.22 -0.04 0.26 -0.51 4.01 3.94 3lcbB1 PHE 331 H 0.14 0.18 -0.07 -0.55 8.34 8.04 3lcbB1 PHE 331 HA -0.62 0.05 0.46 -0.75 4.62 3.75 3lcbB1 PHE 331 HB2 -0.25 -0.08 0.14 -0.04 3.15 2.92 3lcbB1 PHE 331 HB3 -0.11 0.08 0.16 -0.04 3.06 3.15 3lcbB1 PHE 331 HD2 -0.47 0.07 0.05 -0.04 7.28 6.89 3lcbB1 PHE 331 HE2 -0.10 0.04 -0.05 -0.04 7.38 7.22 3lcbB1 PHE 331 HZ 0.09 0.01 -0.05 -0.04 7.32 7.32 3lcbB1 ASP 332 H -0.75 0.09 0.15 -0.55 8.40 7.34 3lcbB1 ASP 332 HA -0.25 0.28 0.73 -0.75 4.63 4.63 3lcbB1 ASP 332 HB2 -0.26 0.02 0.22 -0.04 2.71 2.65 3lcbB1 ASP 332 HB3 -0.21 0.07 0.08 -0.04 2.70 2.61 3lcbB1 ARG 333 H -0.67 0.19 -0.34 -0.55 8.46 7.08 3lcbB1 ARG 333 HA -0.41 0.10 0.86 -0.75 4.34 4.13 3lcbB1 ARG 333 HB2 -0.72 -0.05 -0.08 -0.04 1.90 1.01 3lcbB1 ARG 333 HB3 -0.51 0.07 -0.03 -0.04 1.80 1.29 3lcbB1 ARG 333 HG2 -0.54 0.17 -0.37 -0.04 1.67 0.90 3lcbB1 ARG 333 HG3 -1.30 -0.15 -0.33 -0.04 1.67 -0.15 3lcbB1 ARG 333 HD2 -0.29 -0.04 -0.13 -0.04 3.22 2.73 3lcbB1 ARG 333 HD3 -0.29 0.01 -0.14 -0.04 3.22 2.77 3lcbB1 VAL 334 H -0.32 0.68 0.22 -0.55 8.24 8.27 3lcbB1 VAL 334 HA -0.07 0.22 1.00 -0.75 4.13 4.53 3lcbB1 VAL 334 HB -0.15 0.03 -0.04 -0.04 2.12 1.93 3lcbB1 VAL 334 HG13 -0.11 -0.02 -0.18 -0.04 0.97 0.63 3lcbB1 VAL 334 HG23 -0.25 0.01 -0.17 -0.04 0.95 0.50 3lcbB1 PHE 335 H -0.03 0.77 0.36 -0.55 8.34 8.89 3lcbB1 PHE 335 HA -0.36 0.39 1.09 -0.75 4.62 4.98 3lcbB1 PHE 335 HB2 -1.97 -0.08 0.09 -0.04 3.15 1.15 3lcbB1 PHE 335 HB3 -0.73 -0.01 -0.02 -0.04 3.06 2.25 3lcbB1 PHE 335 HD2 -0.53 0.13 -0.05 -0.04 7.28 6.79 3lcbB1 PHE 335 HE2 -0.28 -0.02 -0.10 -0.04 7.38 6.93 3lcbB1 PHE 335 HZ 0.06 -0.02 -0.10 -0.04 7.32 7.21 3lcbB1 LYS 336 H -0.12 0.74 0.36 -0.55 8.42 8.85 3lcbB1 LYS 336 HA -0.08 0.24 0.97 -0.75 4.32 4.70 3lcbB1 LYS 336 HB2 0.03 -0.04 0.09 -0.04 1.87 1.91 3lcbB1 LYS 336 HB3 -0.04 -0.06 -0.08 -0.04 1.79 1.57 3lcbB1 LYS 336 HG2 -0.15 0.00 -0.34 -0.04 1.46 0.93 3lcbB1 LYS 336 HG3 -0.12 0.11 -0.27 -0.04 1.46 1.14 3lcbB1 LYS 336 HD2 -0.18 0.04 -0.17 -0.04 1.69 1.35 3lcbB1 LYS 336 HD3 -0.01 -0.01 -0.12 -0.04 1.68 1.49 3lcbB1 LYS 336 HE2 -0.08 -0.08 -0.10 -0.04 2.99 2.69 3lcbB1 LYS 336 HE3 -0.19 -0.03 -0.14 -0.04 2.99 2.59 3lcbB1 VAL 337 H 0.03 0.84 0.36 -0.55 8.24 8.92 3lcbB1 VAL 337 HA -0.01 0.19 1.08 -0.75 4.13 4.63 3lcbB1 VAL 337 HB 0.02 0.11 0.09 -0.04 2.12 2.30 3lcbB1 VAL 337 HG13 0.16 -0.01 -0.06 -0.04 0.97 1.02 3lcbB1 VAL 337 HG23 0.07 -0.01 -0.18 -0.04 0.95 0.79 3lcbB1 ILE 338 H 0.08 0.22 0.13 -0.55 8.25 8.13 3lcbB1 ILE 338 HA 0.13 0.03 0.55 -0.75 4.18 4.13 3lcbB1 ILE 338 HB 0.15 0.01 0.11 -0.04 1.89 2.12 3lcbB1 ILE 338 HG12 0.08 -0.03 -0.09 -0.04 1.49 1.40 3lcbB1 ILE 338 HG13 0.15 -0.01 0.02 -0.04 1.21 1.33 3lcbB1 ILE 338 HG23 0.31 0.05 -0.05 -0.04 0.93 1.19 3lcbB1 ILE 338 HD13 0.21 0.00 -0.05 -0.04 0.88 1.00 3lcbB1 LYS 339 H 0.23 0.44 0.28 -0.55 8.42 8.82 3lcbB1 LYS 339 HA 0.09 0.04 0.36 -0.75 4.32 4.06 3lcbB1 LYS 339 HB2 0.29 0.12 0.01 -0.04 1.87 2.24 3lcbB1 LYS 339 HB3 0.13 -0.02 0.05 -0.04 1.79 1.91 3lcbB1 LYS 339 HG2 0.08 -0.05 -0.04 -0.04 1.46 1.41 3lcbB1 LYS 339 HG3 0.10 -0.08 -0.18 -0.04 1.46 1.26 3lcbB1 LYS 339 HD2 0.08 -0.03 -0.24 -0.04 1.69 1.46 3lcbB1 LYS 339 HD3 0.10 -0.07 -0.68 -0.04 1.68 0.99 3lcbB1 LYS 339 HE2 0.20 0.10 -0.04 -0.04 2.99 3.21 3lcbB1 LYS 339 HE3 0.10 -0.04 0.00 -0.04 2.99 3.01 3lcbB1 ASP 340 H 0.02 0.69 0.40 -0.55 8.40 8.95 3lcbB1 ASP 340 HA -0.08 0.04 0.60 -0.75 4.63 4.44 3lcbB1 ASP 340 HB2 -0.02 0.08 0.15 -0.04 2.71 2.87 3lcbB1 ASP 340 HB3 -0.05 -0.03 0.07 -0.04 2.70 2.65 3lcbB1 LYS 341 H -0.02 0.19 0.02 -0.55 8.42 8.06 3lcbB1 LYS 341 HA -0.19 0.13 0.89 -0.75 4.32 4.40 3lcbB1 LYS 341 HB2 -0.04 -0.05 -0.07 -0.04 1.87 1.67 3lcbB1 LYS 341 HB3 0.00 -0.00 0.09 -0.04 1.79 1.84 3lcbB1 LYS 341 HG2 0.00 -0.04 -0.03 -0.04 1.46 1.35 3lcbB1 LYS 341 HG3 -0.00 0.16 -0.04 -0.04 1.46 1.53 3lcbB1 LYS 341 HD2 -0.07 0.04 0.07 -0.04 1.69 1.68 3lcbB1 LYS 341 HD3 -0.04 -0.04 -0.01 -0.04 1.68 1.55 3lcbB1 LYS 341 HE2 -0.02 -0.04 0.02 -0.04 2.99 2.91 3lcbB1 LYS 341 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.92 3lcbB1 PHE 342 H -0.10 0.14 0.11 -0.55 8.34 7.94 3lcbB1 PHE 342 HA 0.01 0.21 0.72 -0.75 4.62 4.82 3lcbB1 PHE 342 HB2 0.01 0.12 0.05 -0.04 3.15 3.29 3lcbB1 PHE 342 HB3 0.01 -0.05 0.06 -0.04 3.06 3.04 3lcbB1 PHE 342 HD2 0.01 0.16 -0.17 -0.04 7.28 7.24 3lcbB1 PHE 342 HE2 0.02 -0.02 -0.29 -0.04 7.38 7.05 3lcbB1 PHE 342 HZ 0.04 -0.09 -0.14 -0.04 7.32 7.08 3lcbB1 ALA 343 H 0.14 0.33 0.23 -0.55 8.40 8.55 3lcbB1 ALA 343 HA 0.07 0.11 0.51 -0.75 4.34 4.27 3lcbB1 ALA 343 HB3 0.04 -0.01 0.14 -0.04 1.41 1.54 3lcbB1 PRO 344 HA 0.05 0.15 0.19 -0.51 4.44 4.33 3lcbB1 PRO 344 HB2 0.03 0.00 0.01 -0.04 2.28 2.28 3lcbB1 PRO 344 HB3 0.03 0.04 0.09 -0.04 2.02 2.14 3lcbB1 PRO 344 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 3lcbB1 PRO 344 HG3 0.03 0.08 0.13 -0.04 2.03 2.23 3lcbB1 PRO 344 HD2 0.04 0.04 0.13 -0.04 3.68 3.85 3lcbB1 PRO 344 HD3 0.05 0.14 0.27 -0.04 3.65 4.07 3lcbB1 GLN 345 H 0.04 0.03 -0.34 -0.55 8.47 7.65 3lcbB1 GLN 345 HA 0.02 0.10 0.38 -0.75 4.36 4.12 3lcbB1 GLN 345 HB2 0.01 0.00 0.03 -0.04 2.15 2.15 3lcbB1 GLN 345 HB3 0.02 0.01 0.05 -0.04 2.02 2.06 3lcbB1 GLN 345 HG2 0.02 -0.02 -0.12 -0.04 2.40 2.24 3lcbB1 GLN 345 HG3 0.02 0.00 -0.06 -0.04 2.39 2.31 3lcbB1 GLN 345 HE21 0.03 0.03 0.01 -0.04 6.97 7.00 3lcbB1 GLN 345 HE22 0.03 -0.03 -0.02 -0.04 7.69 7.63 3lcbB1 LYS 346 H 0.05 0.74 -0.27 -0.55 8.42 8.39 3lcbB1 LYS 346 HA -0.00 0.05 0.87 -0.75 4.32 4.48 3lcbB1 LYS 346 HB2 0.04 0.14 0.09 -0.04 1.87 2.10 3lcbB1 LYS 346 HB3 -0.06 -0.11 -0.02 -0.04 1.79 1.55 3lcbB1 LYS 346 HG2 -0.03 0.04 -0.21 -0.04 1.46 1.21 3lcbB1 LYS 346 HG3 -0.03 -0.02 -0.06 -0.04 1.46 1.31 3lcbB1 LYS 346 HD2 -0.16 -0.06 -0.10 -0.04 1.69 1.33 3lcbB1 LYS 346 HD3 -0.12 -0.03 -0.05 -0.04 1.68 1.44 3lcbB1 LYS 346 HE2 -0.06 0.07 -0.08 -0.04 2.99 2.87 3lcbB1 LYS 346 HE3 -0.05 -0.00 -0.07 -0.04 2.99 2.82 3lcbB1 GLU 347 H 0.00 0.11 0.12 -0.55 8.60 8.29 3lcbB1 GLU 347 HA 0.06 0.25 0.51 -0.75 4.29 4.35 3lcbB1 GLU 347 HB2 -0.00 -0.04 0.05 -0.04 2.09 2.06 3lcbB1 GLU 347 HB3 0.01 -0.02 0.11 -0.04 1.99 2.06 3lcbB1 GLU 347 HG2 0.02 0.05 -0.33 -0.04 2.34 2.05 3lcbB1 GLU 347 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.27 3lcbB1 MET 348 H 0.02 -0.03 -0.17 -0.55 8.47 7.74 3lcbB1 MET 348 HA -0.05 0.10 0.52 -0.75 4.52 4.33 3lcbB1 MET 348 HB2 -0.22 -0.06 0.11 -0.04 2.15 1.94 3lcbB1 MET 348 HB3 -0.21 -0.00 0.08 -0.04 2.03 1.85 3lcbB1 MET 348 HG2 0.08 0.07 -0.27 -0.04 2.63 2.47 3lcbB1 MET 348 HG3 -0.06 -0.02 -0.09 -0.04 2.56 2.36 3lcbB1 MET 348 HE3 -0.11 0.01 0.01 -0.04 2.10 1.98 3lcbB1 SER 349 H 0.09 0.05 0.18 -0.55 8.46 8.24 3lcbB1 SER 349 HA 0.11 0.32 0.80 -0.75 4.49 4.96 3lcbB1 SER 349 HB2 0.06 0.02 0.17 -0.04 3.95 4.16 3lcbB1 SER 349 HB3 0.07 0.16 0.09 -0.04 3.93 4.20 3lcbB1 ALA 350 H 0.03 0.27 0.17 -0.55 8.40 8.33 3lcbB1 ALA 350 HA 0.30 0.12 0.49 -0.75 4.34 4.48 3lcbB1 ALA 350 HB3 0.02 0.06 0.10 -0.04 1.41 1.54 3lcbB1 ALA 351 H 0.08 0.11 -0.10 -0.55 8.40 7.94 3lcbB1 ALA 351 HA 0.06 0.13 0.40 -0.75 4.34 4.17 3lcbB1 ALA 351 HB3 0.05 0.03 0.05 -0.04 1.41 1.50 3lcbB1 HIS 352 H 0.21 0.03 -0.30 -0.55 8.41 7.80 3lcbB1 HIS 352 HA 0.05 0.10 0.46 -0.75 4.63 4.49 3lcbB1 HIS 352 HB2 0.06 -0.02 0.12 -0.04 3.26 3.38 3lcbB1 HIS 352 HB3 0.09 0.08 0.15 -0.04 3.20 3.47 3lcbB1 HIS 352 HD2 0.03 0.01 0.03 -0.04 6.97 7.00 3lcbB1 HIS 352 HE1 0.01 0.12 0.01 -0.04 7.75 7.84 3lcbB1 VAL 353 H 0.25 0.45 -0.17 -0.55 8.24 8.21 3lcbB1 VAL 353 HA 0.22 0.02 0.38 -0.75 4.13 4.01 3lcbB1 VAL 353 HB 0.20 0.14 0.13 -0.04 2.12 2.55 3lcbB1 VAL 353 HG13 0.10 -0.02 -0.16 -0.04 0.97 0.85 3lcbB1 VAL 353 HG23 0.09 0.06 -0.04 -0.04 0.95 1.02 3lcbB1 ARG 354 H 0.15 0.57 -0.12 -0.55 8.46 8.50 3lcbB1 ARG 354 HA 0.22 -0.00 0.35 -0.75 4.34 4.15 3lcbB1 ARG 354 HB2 0.07 0.09 0.15 -0.04 1.90 2.17 3lcbB1 ARG 354 HB3 0.09 -0.01 -0.03 -0.04 1.80 1.81 3lcbB1 ARG 354 HG2 0.13 -0.03 -0.01 -0.04 1.67 1.72 3lcbB1 ARG 354 HG3 0.09 0.17 0.04 -0.04 1.67 1.93 3lcbB1 ARG 354 HD2 -0.13 -0.01 -0.07 -0.04 3.22 2.97 3lcbB1 ARG 354 HD3 -0.04 -0.03 -0.05 -0.04 3.22 3.06 3lcbB1 ALA 355 H 0.06 0.56 -0.20 -0.55 8.40 8.28 3lcbB1 ALA 355 HA 0.02 0.00 0.41 -0.75 4.34 4.02 3lcbB1 ALA 355 HB3 -0.09 0.03 0.12 -0.04 1.41 1.42 3lcbB1 CYS 356 H -0.01 0.64 -0.06 -0.55 8.50 8.52 3lcbB1 CYS 356 HA -0.11 -0.00 0.41 -0.75 4.58 4.13 3lcbB1 CYS 356 HB2 0.16 0.12 0.18 -0.04 2.97 3.39 3lcbB1 CYS 356 HB3 0.04 0.02 0.00 -0.04 2.97 2.99 3lcbB1 TYR 357 H 0.27 0.53 -0.18 -0.55 8.29 8.36 3lcbB1 TYR 357 HA -0.07 0.02 0.45 -0.75 4.56 4.20 3lcbB1 TYR 357 HB2 0.00 0.08 0.10 -0.04 3.06 3.20 3lcbB1 TYR 357 HB3 -0.15 -0.02 -0.10 -0.04 2.98 2.67 3lcbB1 TYR 357 HD2 -0.39 0.08 -0.10 -0.04 7.15 6.70 3lcbB1 TYR 357 HE2 -0.30 -0.07 -0.11 -0.04 6.85 6.33 3lcbB1 GLN 358 H 0.12 0.64 -0.08 -0.55 8.47 8.61 3lcbB1 GLN 358 HA 0.09 -0.02 0.45 -0.75 4.36 4.12 3lcbB1 GLN 358 HB2 0.11 -0.01 0.08 -0.04 2.15 2.29 3lcbB1 GLN 358 HB3 0.06 0.09 0.14 -0.04 2.02 2.26 3lcbB1 GLN 358 HG2 0.09 -0.05 -0.02 -0.04 2.40 2.38 3lcbB1 GLN 358 HG3 0.07 0.03 -0.13 -0.04 2.39 2.32 3lcbB1 GLN 358 HE21 0.12 -0.03 -0.00 -0.04 6.97 7.02 3lcbB1 GLN 358 HE22 0.13 -0.01 -0.01 -0.04 7.69 7.76 3lcbB1 LEU 359 H -0.04 0.72 -0.09 -0.55 8.37 8.42 3lcbB1 LEU 359 HA -0.01 0.01 0.38 -0.75 4.35 3.98 3lcbB1 LEU 359 HB2 -0.11 -0.08 0.03 -0.04 1.64 1.44 3lcbB1 LEU 359 HB3 -0.17 0.09 0.15 -0.04 1.64 1.68 3lcbB1 LEU 359 HG -0.35 0.02 -0.16 -0.04 1.64 1.11 3lcbB1 LEU 359 HD13 -0.20 0.01 -0.28 -0.04 0.93 0.42 3lcbB1 LEU 359 HD23 -0.61 -0.03 -0.09 -0.04 0.89 0.11 3lcbB1 VAL 360 H -0.28 0.45 -0.21 -0.55 8.24 7.66 3lcbB1 VAL 360 HA -0.30 0.00 0.18 -0.75 4.13 3.26 3lcbB1 VAL 360 HB -0.65 0.06 0.06 -0.04 2.12 1.55 3lcbB1 VAL 360 HG13 -0.62 -0.01 -0.21 -0.04 0.97 0.09 3lcbB1 VAL 360 HG23 -1.06 0.03 -0.05 -0.04 0.95 -0.17 3lcbB1 LYS 361 H -0.11 0.42 -0.23 -0.55 8.42 7.95 3lcbB1 LYS 361 HA -0.05 -0.04 0.40 -0.75 4.32 3.88 3lcbB1 LYS 361 HB2 0.04 -0.02 0.13 -0.04 1.87 1.99 3lcbB1 LYS 361 HB3 0.03 0.12 0.17 -0.04 1.79 2.07 3lcbB1 LYS 361 HG2 0.09 -0.08 0.01 -0.04 1.46 1.44 3lcbB1 LYS 361 HG3 0.06 0.02 -0.17 -0.04 1.46 1.32 3lcbB1 LYS 361 HD2 0.07 -0.01 0.15 -0.04 1.69 1.87 3lcbB1 LYS 361 HD3 0.11 -0.01 0.12 -0.04 1.68 1.85 3lcbB1 LYS 361 HE2 0.13 -0.08 0.07 -0.04 2.99 3.06 3lcbB1 LYS 361 HE3 0.19 -0.04 0.05 -0.04 2.99 3.14 3lcbB1 GLU 362 H -0.00 0.44 -0.20 -0.55 8.60 8.29 3lcbB1 GLU 362 HA -0.03 0.07 0.70 -0.75 4.29 4.28 3lcbB1 GLU 362 HB2 -0.04 -0.09 0.16 -0.04 2.09 2.08 3lcbB1 GLU 362 HB3 -0.02 -0.08 0.09 -0.04 1.99 1.94 3lcbB1 GLU 362 HG2 0.02 0.35 0.14 -0.04 2.34 2.81 3lcbB1 GLU 362 HG3 0.04 0.04 0.17 -0.04 2.34 2.55 3lcbB1 HIS 363 H -0.02 0.54 -0.18 -0.55 8.41 8.21 3lcbB1 HIS 363 HA -0.05 0.01 0.58 -0.75 4.63 4.42 3lcbB1 HIS 363 HB2 -0.06 0.26 -0.26 -0.04 3.26 3.16 3lcbB1 HIS 363 HB3 -0.11 0.08 -0.14 -0.04 3.20 2.98 3lcbB1 HIS 363 HD2 -0.07 0.25 -0.24 -0.04 6.97 6.86 3lcbB1 HIS 363 HE1 0.19 -0.06 -0.02 -0.04 7.75 7.81 3lcbB1 ASP 364 H -0.59 0.15 0.10 -0.55 8.40 7.52 3lcbB1 ASP 364 HA -0.14 0.00 0.67 -0.75 4.63 4.41 3lcbB1 ASP 364 HB2 -0.20 -0.01 0.16 -0.04 2.71 2.62 3lcbB1 ASP 364 HB3 -0.18 0.09 0.22 -0.04 2.70 2.79 3lcbB1 ARG 365 H -0.13 0.16 0.22 -0.55 8.46 8.16 3lcbB1 ARG 365 HA -0.05 0.13 0.22 -0.75 4.34 3.89 3lcbB1 ARG 365 HB2 -0.17 -0.04 -0.06 -0.04 1.90 1.58 3lcbB1 ARG 365 HB3 -0.16 0.37 0.04 -0.04 1.80 2.00 3lcbB1 ARG 365 HG2 -0.14 0.00 -0.11 -0.04 1.67 1.38 3lcbB1 ARG 365 HG3 -0.12 -0.17 0.01 -0.04 1.67 1.35 3lcbB1 ARG 365 HD2 -0.15 -0.00 -0.15 -0.04 3.22 2.88 3lcbB1 ARG 365 HD3 -0.10 0.09 -0.05 -0.04 3.22 3.12 3lcbB1 VAL 366 H -0.13 -0.02 -0.14 -0.55 8.24 7.40 3lcbB1 VAL 366 HA -0.13 -0.04 0.22 -0.75 4.13 3.43 3lcbB1 VAL 366 HB -0.07 0.18 -0.36 -0.04 2.12 1.84 3lcbB1 VAL 366 HG13 -0.09 -0.01 -0.01 -0.04 0.97 0.82 3lcbB1 VAL 366 HG23 -0.07 0.06 -0.12 -0.04 0.95 0.78 3lcbB1 GLY 367 H -0.17 0.28 -0.37 -0.55 8.43 7.63 3lcbB1 GLY 367 HA2 -0.22 -0.09 -0.15 -0.51 4.01 3.04 3lcbB1 GLY 367 HA3 -0.15 0.04 0.40 -0.51 4.01 3.79 3lcbB1 ARG 368 H -0.12 0.45 -0.05 -0.55 8.46 8.19 3lcbB1 ARG 368 HA -0.05 0.17 0.94 -0.75 4.34 4.64 3lcbB1 ARG 368 HB2 -0.06 0.15 -0.03 -0.04 1.90 1.92 3lcbB1 ARG 368 HB3 -0.01 -0.11 0.12 -0.04 1.80 1.75 3lcbB1 ARG 368 HG2 -0.08 0.17 -0.38 -0.04 1.67 1.35 3lcbB1 ARG 368 HG3 -0.06 -0.03 0.00 -0.04 1.67 1.54 3lcbB1 ARG 368 HD2 -0.01 -0.10 0.15 -0.04 3.22 3.21 3lcbB1 ARG 368 HD3 -0.05 0.26 0.08 -0.04 3.22 3.48 3lcbB1 MET 369 H -0.11 0.24 0.17 -0.55 8.47 8.22 3lcbB1 MET 369 HA 0.06 0.25 0.96 -0.75 4.52 5.04 3lcbB1 MET 369 HB2 -0.11 0.03 0.02 -0.04 2.15 2.05 3lcbB1 MET 369 HB3 -0.09 -0.01 -0.01 -0.04 2.03 1.88 3lcbB1 MET 369 HG2 0.04 -0.00 -0.23 -0.04 2.63 2.40 3lcbB1 MET 369 HG3 -0.05 0.08 -0.17 -0.04 2.56 2.38 3lcbB1 MET 369 HE3 -0.26 -0.03 -0.14 -0.04 2.10 1.64 3lcbB1 ALA 370 H 0.12 0.38 0.13 -0.55 8.40 8.48 3lcbB1 ALA 370 HA 0.15 -0.07 0.30 -0.75 4.34 3.97 3lcbB1 ALA 370 HB3 0.18 -0.01 0.02 -0.04 1.41 1.56 3lcbB1 ASP 371 H 0.29 -0.00 0.11 -0.55 8.40 8.25 3lcbB1 ASP 371 HA 0.05 0.19 0.67 -0.75 4.63 4.78 3lcbB1 ASP 371 HB2 0.11 0.34 0.19 -0.04 2.71 3.31 3lcbB1 ASP 371 HB3 0.22 -0.17 0.08 -0.04 2.70 2.79 3lcbB1 THR 372 H 0.10 0.23 0.17 -0.55 8.28 8.24 3lcbB1 THR 372 HA 0.12 0.21 0.91 -0.75 4.39 4.88 3lcbB1 THR 372 HB 0.09 0.05 0.03 -0.04 4.32 4.45 3lcbB1 THR 372 HG23 0.29 -0.03 -0.25 -0.04 1.22 1.19 3lcbB1 GLN 373 H 0.14 0.67 0.29 -0.55 8.47 9.03 3lcbB1 GLN 373 HA 0.11 0.14 0.88 -0.75 4.36 4.74 3lcbB1 GLN 373 HB2 0.13 0.11 0.12 -0.04 2.15 2.47 3lcbB1 GLN 373 HB3 0.32 -0.04 -0.02 -0.04 2.02 2.24 3lcbB1 GLN 373 HG2 0.07 0.01 0.04 -0.04 2.40 2.48 3lcbB1 GLN 373 HG3 0.11 0.06 -0.11 -0.04 2.39 2.41 3lcbB1 GLN 373 HE21 0.12 -0.01 -0.15 -0.04 6.97 6.89 3lcbB1 GLN 373 HE22 0.08 0.04 -0.17 -0.04 7.69 7.60 3lcbB1 GLU 374 H 0.06 0.18 0.08 -0.55 8.60 8.37 3lcbB1 GLU 374 HA -0.07 0.21 0.76 -0.75 4.29 4.44 3lcbB1 GLU 374 HB2 0.19 -0.00 0.02 -0.04 2.09 2.26 3lcbB1 GLU 374 HB3 0.01 -0.02 0.12 -0.04 1.99 2.06 3lcbB1 GLU 374 HG2 -0.01 -0.02 -0.21 -0.04 2.34 2.06 3lcbB1 GLU 374 HG3 -0.32 0.07 -0.02 -0.04 2.34 2.03 3lcbB1 PHE 375 H -0.04 0.70 0.36 -0.55 8.34 8.80 3lcbB1 PHE 375 HA -0.04 0.16 0.95 -0.75 4.62 4.94 3lcbB1 PHE 375 HB2 -0.04 -0.04 -0.01 -0.04 3.15 3.02 3lcbB1 PHE 375 HB3 0.23 0.03 -0.16 -0.04 3.06 3.12 3lcbB1 PHE 375 HD2 0.04 0.06 -0.24 -0.04 7.28 7.09 3lcbB1 PHE 375 HE2 -0.02 -0.02 -0.11 -0.04 7.38 7.19 3lcbB1 PHE 375 HZ 0.15 0.05 -0.06 -0.04 7.32 7.42 3lcbB1 GLU 376 H -0.12 0.18 0.11 -0.55 8.60 8.23 3lcbB1 GLU 376 HA 0.01 0.26 1.05 -0.75 4.29 4.87 3lcbB1 GLU 376 HB2 -0.63 -0.04 0.09 -0.04 2.09 1.46 3lcbB1 GLU 376 HB3 -0.14 0.10 0.06 -0.04 1.99 1.97 3lcbB1 GLU 376 HG2 0.02 0.02 -0.04 -0.04 2.34 2.30 3lcbB1 GLU 376 HG3 -0.19 -0.07 -0.11 -0.04 2.34 1.93 3lcbB1 ASN 377 H 0.06 0.63 0.18 -0.55 8.53 8.85 3lcbB1 ASN 377 HA 0.07 -0.05 0.01 -0.75 4.76 4.04 3lcbB1 ASN 377 HB2 0.10 0.25 0.06 -0.04 2.88 3.25 3lcbB1 ASN 377 HB3 0.07 -0.12 0.13 -0.04 2.79 2.83 3lcbB1 ASN 377 HD21 0.07 -0.06 -0.02 -0.04 7.03 6.98 3lcbB1 ASN 377 HD22 0.13 0.22 -0.02 -0.04 7.74 8.03 3lcbB1 PHE 378 H 0.21 0.39 -0.16 -0.55 8.34 8.23 3lcbB1 PHE 378 HA 0.02 0.07 0.47 -0.75 4.62 4.43 3lcbB1 PHE 378 HB2 0.01 0.02 -0.10 -0.04 3.15 3.04 3lcbB1 PHE 378 HB3 -0.02 -0.08 -0.00 -0.04 3.06 2.92 3lcbB1 PHE 378 HD2 -0.18 -0.02 -0.25 -0.04 7.28 6.79 3lcbB1 PHE 378 HE2 -0.59 -0.02 -0.09 -0.04 7.38 6.64 3lcbB1 PHE 378 HZ -0.81 -0.03 -0.06 -0.04 7.32 6.37 3lcbB1 VAL 379 H -0.32 0.15 0.20 -0.55 8.24 7.72 3lcbB1 VAL 379 HA 0.00 0.18 0.59 -0.75 4.13 4.15 3lcbB1 VAL 379 HB -0.08 -0.02 0.14 -0.04 2.12 2.11 3lcbB1 VAL 379 HG13 0.01 -0.02 -0.15 -0.04 0.97 0.77 3lcbB1 VAL 379 HG23 -0.01 0.05 0.02 -0.04 0.95 0.97 3lcbB1 LEU 380 H 0.02 0.70 0.37 -0.55 8.37 8.91 3lcbB1 LEU 380 HA 0.09 0.13 0.88 -0.75 4.35 4.69 3lcbB1 LEU 380 HB2 -0.04 0.07 -0.06 -0.04 1.64 1.57 3lcbB1 LEU 380 HB3 -0.12 -0.03 -0.16 -0.04 1.64 1.30 3lcbB1 LEU 380 HG 0.11 0.10 -0.26 -0.04 1.64 1.55 3lcbB1 LEU 380 HD13 -0.47 -0.01 -0.17 -0.04 0.93 0.24 3lcbB1 LEU 380 HD23 -0.35 -0.02 -0.01 -0.04 0.89 0.47 3lcbB1 GLU 381 H 0.22 0.18 0.13 -0.55 8.60 8.58 3lcbB1 GLU 381 HA 0.02 0.17 0.77 -0.75 4.29 4.50 3lcbB1 GLU 381 HB2 -0.07 -0.07 0.10 -0.04 2.09 2.01 3lcbB1 GLU 381 HB3 -0.08 0.03 0.11 -0.04 1.99 2.02 3lcbB1 GLU 381 HG2 0.18 -0.05 0.02 -0.04 2.34 2.44 3lcbB1 GLU 381 HG3 0.36 0.06 0.04 -0.04 2.34 2.76 3lcbB1 LYS 382 H -0.03 0.70 0.38 -0.55 8.42 8.91 3lcbB1 LYS 382 HA -0.04 0.04 0.31 -0.75 4.32 3.88 3lcbB1 LYS 382 HB2 -0.04 0.03 0.14 -0.04 1.87 1.96 3lcbB1 LYS 382 HB3 -0.03 0.01 -0.01 -0.04 1.79 1.72 3lcbB1 LYS 382 HG2 -0.04 -0.04 -0.12 -0.04 1.46 1.22 3lcbB1 LYS 382 HG3 -0.03 0.06 -0.31 -0.04 1.46 1.14 3lcbB1 LYS 382 HD2 -0.02 0.00 -0.02 -0.04 1.69 1.60 3lcbB1 LYS 382 HD3 -0.03 -0.04 -0.06 -0.04 1.68 1.51 3lcbB1 LYS 382 HE2 -0.02 -0.07 -0.20 -0.04 2.99 2.66 3lcbB1 LYS 382 HE3 -0.02 0.11 -0.30 -0.04 2.99 2.73 3lcbB1 ARG 383 H -0.12 0.09 -0.11 -0.55 8.46 7.77 3lcbB1 ARG 383 HA -0.06 0.08 0.33 -0.75 4.34 3.93 3lcbB1 ARG 383 HB2 -0.27 0.07 -0.10 -0.04 1.90 1.55 3lcbB1 ARG 383 HB3 -0.11 0.02 0.07 -0.04 1.80 1.74 3lcbB1 ARG 383 HG2 -0.11 -0.00 0.09 -0.04 1.67 1.60 3lcbB1 ARG 383 HG3 -0.26 -0.09 0.03 -0.04 1.67 1.31 3lcbB1 ARG 383 HD2 -0.10 0.01 0.02 -0.04 3.22 3.11 3lcbB1 ARG 383 HD3 -0.11 -0.01 0.02 -0.04 3.22 3.08 3lcbB1 HIS 384 H -0.16 0.16 -0.40 -0.55 8.41 7.47 3lcbB1 HIS 384 HA 0.08 0.13 0.48 -0.75 4.63 4.56 3lcbB1 HIS 384 HB2 0.21 0.14 0.07 -0.04 3.26 3.65 3lcbB1 HIS 384 HB3 0.39 -0.08 0.10 -0.04 3.20 3.57 3lcbB1 HIS 384 HD2 0.02 0.10 -0.01 -0.04 6.97 7.03 3lcbB1 HIS 384 HE1 0.03 -0.01 0.01 -0.04 7.75 7.73 3lcbB1 ILE 385 H 0.07 0.38 -0.29 -0.55 8.25 7.87 3lcbB1 ILE 385 HA 0.11 0.01 0.75 -0.75 4.18 4.29 3lcbB1 ILE 385 HB -0.05 0.06 0.12 -0.04 1.89 1.98 3lcbB1 ILE 385 HG12 -0.27 -0.04 -0.13 -0.04 1.49 1.00 3lcbB1 ILE 385 HG13 -0.02 0.13 -0.07 -0.04 1.21 1.20 3lcbB1 ILE 385 HG23 -0.14 0.01 -0.10 -0.04 0.93 0.65 3lcbB1 ILE 385 HD13 -0.14 -0.03 -0.20 -0.04 0.88 0.47 3lcbB1 SER 386 H 0.07 0.37 0.25 -0.55 8.46 8.61 3lcbB1 SER 386 HA 0.02 0.17 0.53 -0.75 4.49 4.46 3lcbB1 SER 386 HB2 0.03 -0.04 0.15 -0.04 3.95 4.05 3lcbB1 SER 386 HB3 0.05 0.09 0.10 -0.04 3.93 4.13 3lcbB1 PRO 387 HA -0.01 0.12 0.33 -0.51 4.44 4.36 3lcbB1 PRO 387 HB2 -0.00 0.03 -0.02 -0.04 2.28 2.25 3lcbB1 PRO 387 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 3lcbB1 PRO 387 HG2 0.00 0.05 0.09 -0.04 2.03 2.13 3lcbB1 PRO 387 HG3 0.00 0.12 0.11 -0.04 2.03 2.22 3lcbB1 PRO 387 HD2 0.01 0.01 0.20 -0.04 3.68 3.87 3lcbB1 PRO 387 HD3 0.01 0.19 0.27 -0.04 3.65 4.08 3lcbB1 ALA 388 H 0.01 0.15 -0.14 -0.55 8.40 7.88 3lcbB1 ALA 388 HA 0.01 0.12 0.49 -0.75 4.34 4.20 3lcbB1 ALA 388 HB3 0.02 0.02 0.06 -0.04 1.41 1.48 3lcbB1 LEU 389 H -0.00 0.17 -0.30 -0.55 8.37 7.69 3lcbB1 LEU 389 HA -0.01 0.09 0.57 -0.75 4.35 4.24 3lcbB1 LEU 389 HB2 -0.00 -0.08 -0.01 -0.04 1.64 1.51 3lcbB1 LEU 389 HB3 -0.06 0.18 0.05 -0.04 1.64 1.77 3lcbB1 LEU 389 HG -0.24 -0.01 -0.37 -0.04 1.64 0.98 3lcbB1 LEU 389 HD13 -0.03 -0.02 -0.15 -0.04 0.93 0.70 3lcbB1 LEU 389 HD23 -0.44 0.01 -0.28 -0.04 0.89 0.13 3lcbB1 MET 390 H -0.05 0.64 -0.03 -0.55 8.47 8.49 3lcbB1 MET 390 HA -0.09 0.00 0.29 -0.75 4.52 3.98 3lcbB1 MET 390 HB2 -0.05 0.16 -0.03 -0.04 2.15 2.19 3lcbB1 MET 390 HB3 -0.03 0.02 0.04 -0.04 2.03 2.02 3lcbB1 MET 390 HG2 -0.03 0.04 -0.07 -0.04 2.63 2.53 3lcbB1 MET 390 HG3 -0.03 -0.02 -0.17 -0.04 2.56 2.30 3lcbB1 MET 390 HE3 -0.04 0.00 -0.09 -0.04 2.10 1.94 3lcbB1 GLU 391 H -0.02 0.49 -0.40 -0.55 8.60 8.12 3lcbB1 GLU 391 HA -0.01 0.03 0.40 -0.75 4.29 3.95 3lcbB1 GLU 391 HB2 -0.01 0.10 0.11 -0.04 2.09 2.25 3lcbB1 GLU 391 HB3 -0.00 0.09 0.05 -0.04 1.99 2.09 3lcbB1 GLU 391 HG2 0.00 -0.03 -0.12 -0.04 2.34 2.16 3lcbB1 GLU 391 HG3 -0.00 -0.02 0.01 -0.04 2.34 2.29 3lcbB1 LEU 392 H -0.01 0.29 -0.27 -0.55 8.37 7.84 3lcbB1 LEU 392 HA 0.01 0.02 0.38 -0.75 4.35 4.01 3lcbB1 LEU 392 HB2 0.01 0.17 0.26 -0.04 1.64 2.03 3lcbB1 LEU 392 HB3 0.01 -0.00 -0.01 -0.04 1.64 1.60 3lcbB1 LEU 392 HG 0.03 0.02 0.05 -0.04 1.64 1.69 3lcbB1 LEU 392 HD13 0.05 -0.02 -0.01 -0.04 0.93 0.91 3lcbB1 LEU 392 HD23 0.03 -0.01 0.04 -0.04 0.89 0.91 3lcbB1 LEU 393 H -0.04 0.63 -0.20 -0.55 8.37 8.21 3lcbB1 LEU 393 HA -0.01 0.01 0.40 -0.75 4.35 3.99 3lcbB1 LEU 393 HB2 -0.07 0.13 0.06 -0.04 1.64 1.72 3lcbB1 LEU 393 HB3 -0.06 -0.01 -0.14 -0.04 1.64 1.40 3lcbB1 LEU 393 HG -0.16 0.04 -0.18 -0.04 1.64 1.31 3lcbB1 LEU 393 HD13 -0.26 -0.01 -0.17 -0.04 0.93 0.45 3lcbB1 LEU 393 HD23 -0.07 -0.01 -0.14 -0.04 0.89 0.63 3lcbB1 LEU 394 H -0.02 0.58 -0.11 -0.55 8.37 8.27 3lcbB1 LEU 394 HA -0.01 0.02 0.19 -0.75 4.35 3.80 3lcbB1 LEU 394 HB2 -0.01 0.10 0.08 -0.04 1.64 1.77 3lcbB1 LEU 394 HB3 -0.01 -0.03 0.03 -0.04 1.64 1.59 3lcbB1 LEU 394 HG -0.03 0.08 0.04 -0.04 1.64 1.69 3lcbB1 LEU 394 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.77 3lcbB1 LEU 394 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 3lcbB1 GLN 395 H -0.00 0.26 -0.55 -0.55 8.47 7.64 3lcbB1 GLN 395 HA 0.00 0.09 0.66 -0.75 4.36 4.36 3lcbB1 GLN 395 HB2 0.00 0.09 0.07 -0.04 2.15 2.27 3lcbB1 GLN 395 HB3 0.01 0.05 0.09 -0.04 2.02 2.13 3lcbB1 GLN 395 HG2 0.01 -0.01 -0.02 -0.04 2.40 2.34 3lcbB1 GLN 395 HG3 0.01 -0.03 0.03 -0.04 2.39 2.36 3lcbB1 GLN 395 HE21 0.01 -0.04 -0.04 -0.04 6.97 6.86 3lcbB1 GLN 395 HE22 0.01 0.07 -0.06 -0.04 7.69 7.67 3lcbB1 GLU 396 H 0.01 0.43 -0.00 -0.55 8.60 8.49 3lcbB1 GLU 396 HA 0.02 0.15 0.81 -0.75 4.29 4.52 3lcbB1 GLU 396 HB2 0.03 0.28 0.19 -0.04 2.09 2.55 3lcbB1 GLU 396 HB3 0.05 -0.07 -0.02 -0.04 1.99 1.92 3lcbB1 GLU 396 HG2 0.06 0.01 -0.00 -0.04 2.34 2.37 3lcbB1 GLU 396 HG3 0.06 -0.01 0.10 -0.04 2.34 2.45 3lcbB1 ALA 397 H 0.01 0.85 0.12 -0.55 8.40 8.83 3lcbB1 ALA 397 HA 0.02 0.10 0.93 -0.75 4.34 4.64 3lcbB1 ALA 397 HB3 0.03 0.00 0.01 -0.04 1.41 1.41 3lcbB1 ALA 398 H 0.00 0.20 -0.28 -0.55 8.40 7.77 3lcbB1 ALA 398 HA -0.00 0.05 0.25 -0.75 4.34 3.88 3lcbB1 ALA 398 HB3 -0.00 0.08 0.07 -0.04 1.41 1.51 3lcbB1 GLU 399 H -0.01 0.04 -0.13 -0.55 8.60 7.96 3lcbB1 GLU 399 HA -0.00 0.07 0.48 -0.75 4.29 4.08 3lcbB1 GLU 399 HB2 -0.01 -0.07 0.08 -0.04 2.09 2.05 3lcbB1 GLU 399 HB3 -0.01 0.04 -0.08 -0.04 1.99 1.90 3lcbB1 GLU 399 HG2 -0.01 0.02 0.06 -0.04 2.34 2.37 3lcbB1 GLU 399 HG3 -0.02 -0.02 0.05 -0.04 2.34 2.31 3lcbB1 LYS 400 H 0.01 0.09 -0.29 -0.55 8.42 7.68 3lcbB1 LYS 400 HA 0.02 0.03 0.34 -0.75 4.32 3.95 3lcbB1 LYS 400 HB2 0.03 0.05 0.12 -0.04 1.87 2.03 3lcbB1 LYS 400 HB3 0.03 -0.11 0.05 -0.04 1.79 1.72 3lcbB1 LYS 400 HG2 0.06 0.05 0.09 -0.04 1.46 1.61 3lcbB1 LYS 400 HG3 0.04 -0.05 0.06 -0.04 1.46 1.47 3lcbB1 LYS 400 HD2 0.01 -0.10 -0.06 -0.04 1.69 1.50 3lcbB1 LYS 400 HD3 0.03 0.05 0.02 -0.04 1.68 1.74 3lcbB1 LYS 400 HE2 0.08 0.01 0.05 -0.04 2.99 3.08 3lcbB1 LYS 400 HE3 0.03 -0.08 -0.02 -0.04 2.99 2.88 3lcbB1 ILE 401 H 0.00 0.37 -0.25 -0.55 8.25 7.82 3lcbB1 ILE 401 HA 0.01 0.46 1.27 -0.75 4.18 5.16 3lcbB1 ILE 401 HB -0.02 -0.07 -0.07 -0.04 1.89 1.70 3lcbB1 ILE 401 HG12 -0.01 0.01 -0.17 -0.04 1.49 1.27 3lcbB1 ILE 401 HG13 -0.01 0.03 -0.45 -0.04 1.21 0.74 3lcbB1 ILE 401 HG23 -0.01 0.04 -0.21 -0.04 0.93 0.71 3lcbB1 ILE 401 HD13 -0.03 -0.03 -0.19 -0.04 0.88 0.58 3lcbB1 THR 402 H 0.00 0.31 0.32 -0.55 8.28 8.37 3lcbB1 THR 402 HA -0.00 0.21 0.92 -0.75 4.39 4.76 3lcbB1 THR 402 HB 0.01 -0.08 0.01 -0.04 4.32 4.21 3lcbB1 THR 402 HG23 0.00 0.02 0.01 -0.04 1.22 1.22 3lcbB1 ASP 403 H -0.00 0.19 0.13 -0.55 8.40 8.17 3lcbB1 ASP 403 HA -0.01 0.09 0.58 -0.75 4.63 4.54 3lcbB1 ASP 403 HB2 -0.01 0.03 0.11 -0.04 2.71 2.80 3lcbB1 ASP 403 HB3 -0.01 -0.01 0.19 -0.04 2.70 2.83 3lcbB1 LEU 404 H -0.00 0.67 0.27 -0.55 8.37 8.76 3lcbB1 LEU 404 HA 0.00 0.16 0.89 -0.75 4.35 4.65 3lcbB1 LEU 404 HB2 0.01 0.03 -0.20 -0.04 1.64 1.44 3lcbB1 LEU 404 HB3 0.01 -0.06 0.06 -0.04 1.64 1.61 3lcbB1 LEU 404 HG 0.01 0.04 -0.05 -0.04 1.64 1.60 3lcbB1 LEU 404 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.84 3lcbB1 LEU 404 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.79 3lcbB1 GLY 405 H -0.00 0.19 -0.10 -0.55 8.43 7.96 3lcbB1 GLY 405 HA2 -0.01 0.05 0.34 -0.51 4.01 3.88 3lcbB1 GLY 405 HA3 -0.00 0.02 0.49 -0.51 4.01 4.01 3lcbB1 GLU 406 H -0.01 0.18 0.28 -0.55 8.60 8.51 3lcbB1 GLU 406 HA -0.02 0.15 0.69 -0.75 4.29 4.35 3lcbB1 GLU 406 HB2 -0.01 0.04 0.11 -0.04 2.09 2.18 3lcbB1 GLU 406 HB3 -0.03 -0.06 0.20 -0.04 1.99 2.07 3lcbB1 GLU 406 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.35 3lcbB1 GLU 406 HG3 -0.02 0.02 0.05 -0.04 2.34 2.35 3lcbB1 GLN 407 H -0.01 0.38 -0.38 -0.55 8.47 7.91 3lcbB1 GLN 407 HA -0.01 0.10 1.04 -0.75 4.36 4.74 3lcbB1 GLN 407 HB2 0.01 0.03 -0.09 -0.04 2.15 2.06 3lcbB1 GLN 407 HB3 0.02 0.01 -0.08 -0.04 2.02 1.93 3lcbB1 GLN 407 HG2 0.00 -0.22 -0.31 -0.04 2.40 1.83 3lcbB1 GLN 407 HG3 0.01 0.15 0.05 -0.04 2.39 2.56 3lcbB1 GLN 407 HE21 0.03 0.00 -0.06 -0.04 6.97 6.89 3lcbB1 GLN 407 HE22 0.02 0.03 -0.05 -0.04 7.69 7.65 3lcbB1 ILE 408 H -0.01 0.81 0.37 -0.55 8.25 8.87 3lcbB1 ILE 408 HA -0.01 0.23 0.93 -0.75 4.18 4.58 3lcbB1 ILE 408 HB -0.03 0.02 -0.02 -0.04 1.89 1.82 3lcbB1 ILE 408 HG12 -0.07 -0.00 -0.11 -0.04 1.49 1.27 3lcbB1 ILE 408 HG13 -0.04 -0.02 -0.20 -0.04 1.21 0.90 3lcbB1 ILE 408 HG23 -0.03 -0.02 -0.21 -0.04 0.93 0.63 3lcbB1 ILE 408 HD13 -0.10 -0.00 -0.19 -0.04 0.88 0.54 3lcbB1 VAL 409 H 0.00 0.50 0.28 -0.55 8.24 8.47 3lcbB1 VAL 409 HA 0.03 0.22 0.76 -0.75 4.13 4.39 3lcbB1 VAL 409 HB 0.02 -0.04 0.14 -0.04 2.12 2.20 3lcbB1 VAL 409 HG13 0.04 0.01 -0.25 -0.04 0.97 0.73 3lcbB1 VAL 409 HG23 0.02 0.00 -0.17 -0.04 0.95 0.77 3lcbB1 ILE 410 H 0.08 0.70 0.05 -0.55 8.25 8.53 3lcbB1 ILE 410 HA 0.04 0.23 0.85 -0.75 4.18 4.55 3lcbB1 ILE 410 HB 0.12 -0.01 0.08 -0.04 1.89 2.04 3lcbB1 ILE 410 HG12 0.00 0.02 -0.19 -0.04 1.49 1.28 3lcbB1 ILE 410 HG13 0.02 0.05 -0.19 -0.04 1.21 1.05 3lcbB1 ILE 410 HG23 0.05 -0.03 -0.24 -0.04 0.93 0.66 3lcbB1 ILE 410 HD13 0.02 -0.01 -0.16 -0.04 0.88 0.69 3lcbB1 ARG 411 H 0.04 1.07 0.33 -0.55 8.46 9.35 3lcbB1 ARG 411 HA 0.05 -0.01 0.33 -0.75 4.34 3.95 3lcbB1 ARG 411 HB2 0.03 0.19 0.21 -0.04 1.90 2.29 3lcbB1 ARG 411 HB3 0.05 -0.10 0.21 -0.04 1.80 1.92 3lcbB1 ARG 411 HG2 0.02 -0.04 -0.04 -0.04 1.67 1.58 3lcbB1 ARG 411 HG3 0.04 -0.04 -0.11 -0.04 1.67 1.51 3lcbB1 ARG 411 HD2 0.01 -0.03 -0.01 -0.04 3.22 3.15 3lcbB1 ARG 411 HD3 0.02 -0.01 0.03 -0.04 3.22 3.23 3lcbB1 HIS 412 H 0.06 0.16 -0.17 -0.55 8.41 7.91 3lcbB1 HIS 412 HA -0.08 0.27 0.99 -0.75 4.63 5.05 3lcbB1 HIS 412 HB2 -0.07 0.06 -0.19 -0.04 3.26 3.01 3lcbB1 HIS 412 HB3 -0.07 -0.06 0.04 -0.04 3.20 3.07 3lcbB1 HIS 412 HD2 -0.16 0.03 -0.06 -0.04 6.97 6.73 3lcbB1 HIS 412 HE1 -0.24 -0.05 -0.11 -0.04 7.75 7.31 3lcbB1 LEU 413 H -0.48 0.67 0.38 -0.55 8.37 8.39 3lcbB1 LEU 413 HA -0.31 0.16 0.86 -0.75 4.35 4.31 3lcbB1 LEU 413 HB2 -0.08 -0.01 -0.23 -0.04 1.64 1.28 3lcbB1 LEU 413 HB3 -0.09 0.06 -0.03 -0.04 1.64 1.53 3lcbB1 LEU 413 HG -0.16 -0.01 -0.13 -0.04 1.64 1.30 3lcbB1 LEU 413 HD13 -0.17 -0.01 -0.15 -0.04 0.93 0.56 3lcbB1 LEU 413 HD23 -0.33 -0.02 -0.34 -0.04 0.89 0.16 3lcbB1 TYR 414 H -0.13 0.48 0.32 -0.55 8.29 8.40 3lcbB1 TYR 414 HA -0.09 0.27 1.07 -0.75 4.56 5.06 3lcbB1 TYR 414 HB2 -0.15 -0.02 0.18 -0.04 3.06 3.03 3lcbB1 TYR 414 HB3 -0.01 0.03 -0.05 -0.04 2.98 2.92 3lcbB1 TYR 414 HD2 -0.17 0.04 -0.13 -0.04 7.15 6.85 3lcbB1 TYR 414 HE2 -0.11 -0.03 -0.13 -0.04 6.85 6.55 3lcbB1 ILE 415 H 0.07 0.81 0.37 -0.55 8.25 8.95 3lcbB1 ILE 415 HA -0.39 0.36 1.11 -0.75 4.18 4.50 3lcbB1 ILE 415 HB -0.06 -0.02 0.09 -0.04 1.89 1.86 3lcbB1 ILE 415 HG12 -1.04 0.03 -0.10 -0.04 1.49 0.34 3lcbB1 ILE 415 HG13 -0.40 -0.05 -0.26 -0.04 1.21 0.46 3lcbB1 ILE 415 HG23 -0.44 -0.00 -0.15 -0.04 0.93 0.30 3lcbB1 ILE 415 HD13 -0.74 -0.01 -0.12 -0.04 0.88 -0.04 3lcbB1 GLU 416 H -0.30 0.51 0.28 -0.55 8.60 8.55 3lcbB1 GLU 416 HA -0.06 0.17 0.77 -0.75 4.29 4.41 3lcbB1 GLU 416 HB2 -0.02 0.04 -0.23 -0.04 2.09 1.83 3lcbB1 GLU 416 HB3 -0.14 -0.03 -0.12 -0.04 1.99 1.66 3lcbB1 GLU 416 HG2 -0.09 0.15 -0.21 -0.04 2.34 2.14 3lcbB1 GLU 416 HG3 0.02 0.14 -0.02 -0.04 2.34 2.44 3lcbB1 ARG 417 H -0.14 0.17 0.12 -0.55 8.46 8.06 3lcbB1 ARG 417 HA -0.36 0.10 0.54 -0.75 4.34 3.87 3lcbB1 ARG 417 HB2 -0.66 -0.02 0.11 -0.04 1.90 1.29 3lcbB1 ARG 417 HB3 -0.64 -0.04 0.05 -0.04 1.80 1.13 3lcbB1 ARG 417 HG2 -1.86 -0.10 -0.10 -0.04 1.67 -0.42 3lcbB1 ARG 417 HG3 -0.58 0.10 -0.40 -0.04 1.67 0.75 3lcbB1 ARG 417 HD2 -0.40 0.20 0.10 -0.04 3.22 3.08 3lcbB1 ARG 417 HD3 -0.45 -0.04 0.09 -0.04 3.22 2.77 3lcbB1 ARG 418 H -0.32 0.58 0.17 -0.55 8.46 8.34 3lcbB1 ARG 418 HA -0.19 0.07 0.63 -0.75 4.34 4.10 3lcbB1 ARG 418 HB2 -0.20 -0.11 -0.45 -0.04 1.90 1.10 3lcbB1 ARG 418 HB3 -0.22 -0.07 -0.37 -0.04 1.80 1.10 3lcbB1 ARG 418 HG2 -0.09 -0.01 -0.41 -0.04 1.67 1.12 3lcbB1 ARG 418 HG3 -0.09 0.02 -0.14 -0.04 1.67 1.42 3lcbB1 ARG 418 HD2 -0.05 -0.03 -0.19 -0.04 3.22 2.91 3lcbB1 ARG 418 HD3 -0.08 0.22 -0.05 -0.04 3.22 3.27 3lcbB1 MET 419 H -0.08 0.16 0.04 -0.55 8.47 8.04 3lcbB1 MET 419 HA -0.06 0.20 0.69 -0.75 4.52 4.59 3lcbB1 MET 419 HB2 0.09 -0.13 -0.21 -0.04 2.15 1.86 3lcbB1 MET 419 HB3 0.01 0.15 -0.31 -0.04 2.03 1.84 3lcbB1 MET 419 HG2 -0.04 0.01 -0.46 -0.04 2.63 2.10 3lcbB1 MET 419 HG3 0.02 0.11 -0.30 -0.04 2.56 2.34 3lcbB1 MET 419 HE3 0.29 0.02 -0.21 -0.04 2.10 2.16 3lcbB1 VAL 420 H -0.02 0.42 0.15 -0.55 8.24 8.24 3lcbB1 VAL 420 HA 0.07 0.24 0.86 -0.75 4.13 4.54 3lcbB1 VAL 420 HB 0.09 0.04 0.03 -0.04 2.12 2.24 3lcbB1 VAL 420 HG13 -0.00 0.00 0.09 -0.04 0.97 1.02 3lcbB1 VAL 420 HG23 0.25 0.00 -0.14 -0.04 0.95 1.02 3lcbB1 PRO 421 HA 0.24 0.21 0.39 -0.51 4.44 4.77 3lcbB1 PRO 421 HB2 0.16 -0.23 0.05 -0.04 2.28 2.22 3lcbB1 PRO 421 HB3 0.24 0.14 0.11 -0.04 2.02 2.47 3lcbB1 PRO 421 HG2 0.11 0.11 -0.03 -0.04 2.03 2.18 3lcbB1 PRO 421 HG3 0.13 0.13 0.02 -0.04 2.03 2.27 3lcbB1 PRO 421 HD2 0.11 0.02 0.12 -0.04 3.68 3.90 3lcbB1 PRO 421 HD3 0.08 0.39 0.26 -0.04 3.65 4.33 3lcbB1 LEU 422 H 0.19 0.84 0.37 -0.55 8.37 9.22 3lcbB1 LEU 422 HA 0.19 0.04 0.32 -0.75 4.35 4.15 3lcbB1 LEU 422 HB2 0.21 0.17 0.07 -0.04 1.64 2.05 3lcbB1 LEU 422 HB3 0.25 0.05 0.08 -0.04 1.64 1.98 3lcbB1 LEU 422 HG 0.09 0.04 -0.11 -0.04 1.64 1.62 3lcbB1 LEU 422 HD13 0.12 -0.00 -0.04 -0.04 0.93 0.97 3lcbB1 LEU 422 HD23 0.10 -0.02 0.01 -0.04 0.89 0.94 3lcbB1 ASN 423 H 0.20 0.17 -0.30 -0.55 8.53 8.06 3lcbB1 ASN 423 HA 0.16 0.11 0.49 -0.75 4.76 4.76 3lcbB1 ASN 423 HB2 0.16 0.05 0.01 -0.04 2.88 3.06 3lcbB1 ASN 423 HB3 0.21 -0.11 -0.14 -0.04 2.79 2.71 3lcbB1 ASN 423 HD21 0.11 -0.04 -0.08 -0.04 7.03 6.97 3lcbB1 ASN 423 HD22 0.11 0.05 -0.23 -0.04 7.74 7.63 3lcbB1 ILE 424 H 0.16 0.21 -0.38 -0.55 8.25 7.69 3lcbB1 ILE 424 HA 0.09 0.10 0.55 -0.75 4.18 4.16 3lcbB1 ILE 424 HB 0.16 0.18 0.03 -0.04 1.89 2.21 3lcbB1 ILE 424 HG12 0.08 0.01 -0.03 -0.04 1.49 1.51 3lcbB1 ILE 424 HG13 0.11 -0.12 -0.07 -0.04 1.21 1.09 3lcbB1 ILE 424 HG23 0.11 0.00 -0.14 -0.04 0.93 0.86 3lcbB1 ILE 424 HD13 0.09 0.01 -0.08 -0.04 0.88 0.85 3lcbB1 TRP 425 H 0.30 0.43 -0.08 -0.55 7.97 8.07 3lcbB1 TRP 425 HA 0.01 0.03 0.27 -0.75 4.62 4.18 3lcbB1 TRP 425 HB2 0.03 0.14 0.00 -0.04 3.23 3.37 3lcbB1 TRP 425 HB3 -0.01 0.03 -0.02 -0.04 3.23 3.19 3lcbB1 TRP 425 HD1 0.02 -0.01 -0.05 -0.04 7.22 7.13 3lcbB1 TRP 425 HE1 0.01 0.01 -0.05 -0.04 10.20 10.13 3lcbB1 TRP 425 HE3 -0.03 -0.00 -0.14 -0.04 7.59 7.38 3lcbB1 TRP 425 HZ2 0.01 0.00 -0.05 -0.04 7.44 7.36 3lcbB1 TRP 425 HZ3 -0.02 0.01 -0.02 -0.04 7.13 7.06 3lcbB1 TRP 425 HH2 0.00 -0.01 -0.02 -0.04 7.19 7.12 3lcbB1 LEU 426 H 0.13 0.41 -0.27 -0.55 8.37 8.09 3lcbB1 LEU 426 HA -0.09 0.01 0.32 -0.75 4.35 3.84 3lcbB1 LEU 426 HB2 -0.06 0.08 0.01 -0.04 1.64 1.63 3lcbB1 LEU 426 HB3 -0.11 -0.06 0.06 -0.04 1.64 1.49 3lcbB1 LEU 426 HG -0.05 0.17 0.08 -0.04 1.64 1.80 3lcbB1 LEU 426 HD13 -0.72 -0.03 -0.00 -0.04 0.93 0.14 3lcbB1 LEU 426 HD23 -0.11 -0.02 -0.06 -0.04 0.89 0.66 3lcbB1 GLU 427 H -0.00 0.27 -0.65 -0.55 8.60 7.68 3lcbB1 GLU 427 HA -0.04 0.04 0.64 -0.75 4.29 4.18 3lcbB1 GLU 427 HB2 0.01 0.32 0.19 -0.04 2.09 2.57 3lcbB1 GLU 427 HB3 -0.01 -0.06 -0.02 -0.04 1.99 1.85 3lcbB1 GLU 427 HG2 0.01 -0.05 0.05 -0.04 2.34 2.30 3lcbB1 GLU 427 HG3 0.02 0.05 0.05 -0.04 2.34 2.42 3lcbB1 GLN 428 H -0.15 0.37 -0.05 -0.55 8.47 8.10 3lcbB1 GLN 428 HA -0.12 0.07 0.37 -0.75 4.36 3.93 3lcbB1 GLN 428 HB2 -0.31 0.03 0.02 -0.04 2.15 1.85 3lcbB1 GLN 428 HB3 -0.14 -0.06 0.11 -0.04 2.02 1.89 3lcbB1 GLN 428 HG2 -0.04 -0.04 -0.05 -0.04 2.40 2.23 3lcbB1 GLN 428 HG3 -0.05 0.21 0.05 -0.04 2.39 2.56 3lcbB1 GLN 428 HE21 0.12 -0.02 -0.06 -0.04 6.97 6.97 3lcbB1 GLN 428 HE22 -0.05 0.04 -0.05 -0.04 7.69 7.59 3lcbB1 VAL 429 H -0.27 0.23 -0.44 -0.55 8.24 7.21 3lcbB1 VAL 429 HA -0.34 0.10 0.76 -0.75 4.13 3.89 3lcbB1 VAL 429 HB -0.70 0.22 -0.07 -0.04 2.12 1.53 3lcbB1 VAL 429 HG13 -0.34 -0.03 -0.43 -0.04 0.97 0.13 3lcbB1 VAL 429 HG23 -1.42 -0.01 -0.15 -0.04 0.95 -0.68 3lcbB1 GLU 430 H -0.18 0.20 0.16 -0.55 8.60 8.23 3lcbB1 GLU 430 HA -0.10 0.14 0.39 -0.75 4.29 3.97 3lcbB1 GLU 430 HB2 -0.09 0.06 -0.20 -0.04 2.09 1.82 3lcbB1 GLU 430 HB3 -0.07 -0.05 0.02 -0.04 1.99 1.85 3lcbB1 GLU 430 HG2 -0.07 0.24 0.20 -0.04 2.34 2.66 3lcbB1 GLU 430 HG3 -0.06 0.03 0.01 -0.04 2.34 2.28 3lcbB1 GLY 431 H -0.05 0.22 0.13 -0.55 8.43 8.17 3lcbB1 GLY 431 HA2 -0.03 0.11 0.36 -0.51 4.01 3.94 3lcbB1 GLY 431 HA3 -0.04 0.04 0.45 -0.51 4.01 3.95 3lcbB1 GLN 432 H -0.03 0.19 0.28 -0.55 8.47 8.37 3lcbB1 GLN 432 HA -0.01 0.11 0.57 -0.75 4.36 4.27 3lcbB1 GLN 432 HB2 -0.01 0.02 0.15 -0.04 2.15 2.28 3lcbB1 GLN 432 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 3lcbB1 GLN 432 HG2 0.01 0.06 0.00 -0.04 2.40 2.43 3lcbB1 GLN 432 HG3 0.01 -0.04 -0.01 -0.04 2.39 2.31 3lcbB1 GLN 432 HE21 -0.01 0.03 0.01 -0.04 6.97 6.96 3lcbB1 GLN 432 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.67 3lcbB1 GLN 433 H -0.04 0.23 0.10 -0.55 8.47 8.22 3lcbB1 GLN 433 HA 0.05 0.08 0.37 -0.75 4.36 4.11 3lcbB1 GLN 433 HB2 -0.15 0.11 0.15 -0.04 2.15 2.23 3lcbB1 GLN 433 HB3 -0.22 0.04 0.01 -0.04 2.02 1.82 3lcbB1 GLN 433 HG2 0.02 -0.02 0.06 -0.04 2.40 2.42 3lcbB1 GLN 433 HG3 -0.05 -0.01 0.11 -0.04 2.39 2.40 3lcbB1 GLN 433 HE21 0.13 0.05 -0.01 -0.04 6.97 7.09 3lcbB1 GLN 433 HE22 0.18 -0.02 0.02 -0.04 7.69 7.82 3lcbB1 LEU 434 H -0.06 0.16 -0.89 -0.55 8.37 7.03 3lcbB1 LEU 434 HA -0.04 0.12 0.39 -0.75 4.35 4.07 3lcbB1 LEU 434 HB2 -0.09 -0.05 -0.30 -0.04 1.64 1.15 3lcbB1 LEU 434 HB3 -0.05 0.12 -0.16 -0.04 1.64 1.51 3lcbB1 LEU 434 HG -0.06 -0.04 -0.15 -0.04 1.64 1.34 3lcbB1 LEU 434 HD13 -0.10 0.05 -0.08 -0.04 0.93 0.77 3lcbB1 LEU 434 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.67 3lcbB1 ARG 435 H -0.02 0.26 -0.18 -0.55 8.46 7.97 3lcbB1 ARG 435 HA -0.03 0.02 0.43 -0.75 4.34 4.01 3lcbB1 ARG 435 HB2 -0.00 0.10 0.16 -0.04 1.90 2.11 3lcbB1 ARG 435 HB3 -0.02 -0.01 0.06 -0.04 1.80 1.78 3lcbB1 ARG 435 HG2 -0.03 0.01 0.10 -0.04 1.67 1.71 3lcbB1 ARG 435 HG3 -0.02 -0.07 0.16 -0.04 1.67 1.70 3lcbB1 ARG 435 HD2 -0.03 -0.01 0.01 -0.04 3.22 3.15 3lcbB1 ARG 435 HD3 -0.02 -0.02 -0.01 -0.04 3.22 3.12 3lcbB1 ASP 436 H 0.04 0.52 -0.15 -0.55 8.40 8.26 3lcbB1 ASP 436 HA 0.04 0.01 0.40 -0.75 4.63 4.32 3lcbB1 ASP 436 HB2 0.16 0.14 0.06 -0.04 2.71 3.03 3lcbB1 ASP 436 HB3 0.10 0.03 0.01 -0.04 2.70 2.80 3lcbB1 ALA 437 H 0.16 0.28 -0.38 -0.55 8.40 7.92 3lcbB1 ALA 437 HA 0.15 0.09 0.33 -0.75 4.34 4.15 3lcbB1 ALA 437 HB3 0.40 0.04 0.05 -0.04 1.41 1.85 3lcbB1 ILE 438 H -0.01 0.47 -0.16 -0.55 8.25 8.00 3lcbB1 ILE 438 HA -0.09 0.07 0.52 -0.75 4.18 3.92 3lcbB1 ILE 438 HB -0.14 0.07 0.11 -0.04 1.89 1.88 3lcbB1 ILE 438 HG12 -0.14 0.10 0.02 -0.04 1.49 1.43 3lcbB1 ILE 438 HG13 -0.22 0.00 0.02 -0.04 1.21 0.97 3lcbB1 ILE 438 HG23 -0.58 -0.01 -0.20 -0.04 0.93 0.10 3lcbB1 ILE 438 HD13 -0.32 -0.00 -0.06 -0.04 0.88 0.45 3lcbB1 GLU 439 H -0.00 0.57 -0.00 -0.55 8.60 8.62 3lcbB1 GLU 439 HA 0.21 0.01 0.44 -0.75 4.29 4.19 3lcbB1 GLU 439 HB2 -0.04 -0.02 0.11 -0.04 2.09 2.10 3lcbB1 GLU 439 HB3 0.01 0.13 0.17 -0.04 1.99 2.27 3lcbB1 GLU 439 HG2 0.03 0.01 -0.27 -0.04 2.34 2.06 3lcbB1 GLU 439 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.27 3lcbB1 GLU 440 H 0.05 0.45 -0.39 -0.55 8.60 8.16 3lcbB1 GLU 440 HA 0.01 0.01 0.42 -0.75 4.29 3.97 3lcbB1 GLU 440 HB2 0.02 0.26 0.17 -0.04 2.09 2.49 3lcbB1 GLU 440 HB3 0.01 0.13 0.07 -0.04 1.99 2.16 3lcbB1 GLU 440 HG2 -0.04 0.03 0.09 -0.04 2.34 2.38 3lcbB1 GLU 440 HG3 -0.03 -0.06 0.05 -0.04 2.34 2.26 3lcbB1 TYR 441 H 0.09 0.35 -0.19 -0.55 8.29 7.99 3lcbB1 TYR 441 HA -0.19 0.01 0.42 -0.75 4.56 4.04 3lcbB1 TYR 441 HB2 -0.10 0.02 0.12 -0.04 3.06 3.06 3lcbB1 TYR 441 HB3 -0.09 0.09 0.22 -0.04 2.98 3.16 3lcbB1 TYR 441 HD2 -0.18 -0.01 -0.13 -0.04 7.15 6.79 3lcbB1 TYR 441 HE2 -0.27 -0.01 -0.14 -0.04 6.85 6.39 3lcbB1 GLY 442 H -0.09 0.54 -0.17 -0.55 8.43 8.16 3lcbB1 GLY 442 HA2 -0.50 0.03 0.46 -0.51 4.01 3.49 3lcbB1 GLY 442 HA3 -1.50 0.07 0.29 -0.51 4.01 2.36 3lcbB1 ASN 443 H -0.07 0.54 -0.04 -0.55 8.53 8.41 3lcbB1 ASN 443 HA -0.07 -0.03 0.45 -0.75 4.76 4.36 3lcbB1 ASN 443 HB2 -0.03 0.09 0.17 -0.04 2.88 3.08 3lcbB1 ASN 443 HB3 -0.03 -0.02 0.04 -0.04 2.79 2.74 3lcbB1 ASN 443 HD21 0.02 -0.08 -0.02 -0.04 7.03 6.91 3lcbB1 ASN 443 HD22 0.01 -0.03 -0.04 -0.04 7.74 7.64 3lcbB1 ALA 444 H -0.16 0.55 -0.29 -0.55 8.40 7.96 3lcbB1 ALA 444 HA -0.08 0.05 0.48 -0.75 4.34 4.03 3lcbB1 ALA 444 HB3 -0.13 0.06 0.11 -0.04 1.41 1.41 3lcbB1 ILE 445 H -0.38 0.44 -0.10 -0.55 8.25 7.67 3lcbB1 ILE 445 HA -0.19 0.01 0.40 -0.75 4.18 3.64 3lcbB1 ILE 445 HB -0.30 0.08 0.19 -0.04 1.89 1.81 3lcbB1 ILE 445 HG12 -0.89 0.43 0.19 -0.04 1.49 1.18 3lcbB1 ILE 445 HG13 -0.49 -0.06 0.02 -0.04 1.21 0.65 3lcbB1 ILE 445 HG23 -0.01 -0.02 -0.03 -0.04 0.93 0.83 3lcbB1 ILE 445 HD13 -0.56 -0.03 -0.02 -0.04 0.88 0.23 3lcbB1 ARG 446 H -0.21 0.69 -0.03 -0.55 8.46 8.36 3lcbB1 ARG 446 HA -0.19 -0.01 0.38 -0.75 4.34 3.75 3lcbB1 ARG 446 HB2 -0.09 0.08 0.15 -0.04 1.90 2.00 3lcbB1 ARG 446 HB3 -0.04 -0.05 0.00 -0.04 1.80 1.67 3lcbB1 ARG 446 HG2 -0.12 -0.07 -0.02 -0.04 1.67 1.42 3lcbB1 ARG 446 HG3 -0.20 0.21 -0.03 -0.04 1.67 1.61 3lcbB1 ARG 446 HD2 -0.02 0.00 -0.06 -0.04 3.22 3.11 3lcbB1 ARG 446 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.11 3lcbB1 GLN 447 H -0.10 0.63 -0.12 -0.55 8.47 8.32 3lcbB1 GLN 447 HA -0.07 -0.01 0.47 -0.75 4.36 4.00 3lcbB1 GLN 447 HB2 -0.08 0.12 0.14 -0.04 2.15 2.29 3lcbB1 GLN 447 HB3 -0.08 -0.02 0.01 -0.04 2.02 1.89 3lcbB1 GLN 447 HG2 -0.07 -0.07 0.04 -0.04 2.40 2.26 3lcbB1 GLN 447 HG3 -0.07 0.07 0.11 -0.04 2.39 2.46 3lcbB1 GLN 447 HE21 -0.05 -0.00 0.01 -0.04 6.97 6.88 3lcbB1 GLN 447 HE22 -0.04 -0.07 0.03 -0.04 7.69 7.57 3lcbB1 LEU 448 H -0.09 0.56 -0.06 -0.55 8.37 8.24 3lcbB1 LEU 448 HA -0.04 0.04 0.42 -0.75 4.35 4.01 3lcbB1 LEU 448 HB2 -0.10 0.07 0.17 -0.04 1.64 1.74 3lcbB1 LEU 448 HB3 -0.10 -0.05 -0.08 -0.04 1.64 1.38 3lcbB1 LEU 448 HG -0.07 0.07 0.07 -0.04 1.64 1.68 3lcbB1 LEU 448 HD13 -0.17 -0.04 -0.14 -0.04 0.93 0.55 3lcbB1 LEU 448 HD23 -0.05 -0.00 -0.12 -0.04 0.89 0.67 3lcbB1 ALA 449 H -0.06 0.55 -0.09 -0.55 8.40 8.25 3lcbB1 ALA 449 HA 0.16 0.17 0.43 -0.75 4.34 4.35 3lcbB1 ALA 449 HB3 -0.11 -0.00 0.11 -0.04 1.41 1.36 3lcbB1 ALA 450 H -0.06 0.50 -0.18 -0.55 8.40 8.11 3lcbB1 ALA 450 HA -0.02 -0.01 0.45 -0.75 4.34 4.00 3lcbB1 ALA 450 HB3 -0.04 -0.00 0.14 -0.04 1.41 1.46 3lcbB1 ALA 451 H -0.00 0.54 -0.30 -0.55 8.40 8.09 3lcbB1 ALA 451 HA 0.01 0.06 0.82 -0.75 4.34 4.47 3lcbB1 ALA 451 HB3 0.02 -0.01 0.16 -0.04 1.41 1.55 3lcbB1 ASN 452 H 0.08 0.36 -0.54 -0.55 8.53 7.88 3lcbB1 ASN 452 HA 0.14 0.01 0.32 -0.75 4.76 4.47 3lcbB1 ASN 452 HB2 0.09 0.05 -0.07 -0.04 2.88 2.91 3lcbB1 ASN 452 HB3 0.23 0.12 -0.03 -0.04 2.79 3.07 3lcbB1 ASN 452 HD21 -0.17 -0.07 0.05 -0.04 7.03 6.80 3lcbB1 ASN 452 HD22 -0.08 0.08 0.03 -0.04 7.74 7.73 3lcbB1 ILE 453 H 0.09 0.65 -0.31 -0.55 8.25 8.13 3lcbB1 ILE 453 HA 0.03 0.11 0.96 -0.75 4.18 4.52 3lcbB1 ILE 453 HB -0.04 0.11 -0.02 -0.04 1.89 1.90 3lcbB1 ILE 453 HG12 -0.20 0.27 -0.15 -0.04 1.49 1.37 3lcbB1 ILE 453 HG13 -0.34 -0.04 -0.11 -0.04 1.21 0.68 3lcbB1 ILE 453 HG23 -0.11 -0.04 -0.31 -0.04 0.93 0.43 3lcbB1 ILE 453 HD13 -0.48 0.01 -0.13 -0.04 0.88 0.24 3lcbB1 PHE 454 H 0.17 0.67 0.19 -0.55 8.34 8.82 3lcbB1 PHE 454 HA 0.18 0.23 0.84 -0.75 4.62 5.11 3lcbB1 PHE 454 HB2 0.16 -0.02 -0.12 -0.04 3.15 3.13 3lcbB1 PHE 454 HB3 0.02 -0.01 -0.01 -0.04 3.06 3.03 3lcbB1 PHE 454 HD2 0.11 -0.01 -0.10 -0.04 7.28 7.24 3lcbB1 PHE 454 HE2 -0.30 -0.03 -0.13 -0.04 7.38 6.88 3lcbB1 PHE 454 HZ -0.03 -0.03 -0.13 -0.04 7.32 7.08 3lcbB1 PRO 455 HA -0.43 0.04 0.34 -0.51 4.44 3.88 3lcbB1 PRO 455 HB2 -0.71 -0.05 0.07 -0.04 2.28 1.55 3lcbB1 PRO 455 HB3 -1.18 0.03 -0.02 -0.04 2.02 0.81 3lcbB1 PRO 455 HG2 -0.22 0.01 0.06 -0.04 2.03 1.84 3lcbB1 PRO 455 HG3 -0.26 0.09 0.01 -0.04 2.03 1.83 3lcbB1 PRO 455 HD2 -0.47 0.09 0.01 -0.04 3.68 3.26 3lcbB1 PRO 455 HD3 0.05 0.32 0.15 -0.04 3.65 4.13 3lcbB1 GLY 456 H -0.17 0.28 0.10 -0.55 8.43 8.09 3lcbB1 GLY 456 HA2 -0.19 0.05 0.14 -0.51 4.01 3.50 3lcbB1 GLY 456 HA3 -0.05 0.01 0.15 -0.51 4.01 3.62 3lcbB1 ASP 457 H -0.00 0.13 -0.04 -0.55 8.40 7.94 3lcbB1 ASP 457 HA -0.14 0.06 0.39 -0.75 4.63 4.19 3lcbB1 ASP 457 HB2 0.01 0.06 0.12 -0.04 2.71 2.86 3lcbB1 ASP 457 HB3 -0.01 -0.18 0.02 -0.04 2.70 2.49 3lcbB1 MET 458 H 0.11 0.04 -0.08 -0.55 8.47 7.99 3lcbB1 MET 458 HA 0.29 -0.01 0.20 -0.75 4.52 4.25 3lcbB1 MET 458 HB2 -0.35 0.37 -0.49 -0.04 2.15 1.63 3lcbB1 MET 458 HB3 -0.29 0.04 0.09 -0.04 2.03 1.83 3lcbB1 MET 458 HG2 0.02 -0.10 0.09 -0.04 2.63 2.60 3lcbB1 MET 458 HG3 -0.17 0.00 0.02 -0.04 2.56 2.37 3lcbB1 MET 458 HE3 -0.58 0.03 -0.08 -0.04 2.10 1.43 3lcbB1 LEU 459 H 0.02 -0.06 -0.50 -0.55 8.37 7.28 3lcbB1 LEU 459 HA -0.21 0.20 0.55 -0.75 4.35 4.14 3lcbB1 LEU 459 HB2 0.01 -0.08 -0.01 -0.04 1.64 1.52 3lcbB1 LEU 459 HB3 0.01 -0.13 0.05 -0.04 1.64 1.53 3lcbB1 LEU 459 HG -0.17 0.10 -0.08 -0.04 1.64 1.45 3lcbB1 LEU 459 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 3lcbB1 LEU 459 HD23 -0.08 0.04 -0.01 -0.04 0.89 0.79 3lcbB1 PHE 460 H -0.28 0.24 0.12 -0.55 8.34 7.87 3lcbB1 PHE 460 HA 0.13 0.18 0.32 -0.75 4.62 4.49 3lcbB1 PHE 460 HB2 0.06 -0.02 0.03 -0.04 3.15 3.18 3lcbB1 PHE 460 HB3 0.05 -0.01 -0.21 -0.04 3.06 2.86 3lcbB1 PHE 460 HD2 -0.21 -0.02 0.01 -0.04 7.28 7.01 3lcbB1 PHE 460 HE2 -0.54 0.03 0.05 -0.04 7.38 6.88 3lcbB1 PHE 460 HZ 0.26 0.14 0.10 -0.04 7.32 7.77 3lcbB1 LYS 461 H 0.19 0.12 -0.25 -0.55 8.42 7.92 3lcbB1 LYS 461 HA 0.19 -0.09 0.42 -0.75 4.32 4.09 3lcbB1 LYS 461 HB2 0.13 0.05 0.11 -0.04 1.87 2.12 3lcbB1 LYS 461 HB3 0.14 -0.01 0.09 -0.04 1.79 1.97 3lcbB1 LYS 461 HG2 0.09 -0.05 -0.05 -0.04 1.46 1.41 3lcbB1 LYS 461 HG3 0.08 0.05 -0.26 -0.04 1.46 1.30 3lcbB1 LYS 461 HD2 0.07 0.06 -0.09 -0.04 1.69 1.69 3lcbB1 LYS 461 HD3 0.08 -0.01 -0.02 -0.04 1.68 1.69 3lcbB1 LYS 461 HE2 0.05 0.01 -0.03 -0.04 2.99 2.97 3lcbB1 LYS 461 HE3 0.02 -0.03 -0.07 -0.04 2.99 2.87 3lcbB1 ASN 462 H 0.22 0.40 -0.68 -0.55 8.53 7.91 3lcbB1 ASN 462 HA -0.20 0.19 0.68 -0.75 4.76 4.67 3lcbB1 ASN 462 HB2 0.12 0.18 0.02 -0.04 2.88 3.17 3lcbB1 ASN 462 HB3 -0.29 -0.08 0.16 -0.04 2.79 2.54 3lcbB1 ASN 462 HD21 0.00 -0.02 -0.12 -0.04 7.03 6.86 3lcbB1 ASN 462 HD22 0.05 0.18 -0.19 -0.04 7.74 7.73 3lcbB1 PHE 463 H 0.15 0.34 -0.11 -0.55 8.34 8.16 3lcbB1 PHE 463 HA -0.42 0.20 1.03 -0.75 4.62 4.67 3lcbB1 PHE 463 HB2 0.13 -0.04 0.04 -0.04 3.15 3.24 3lcbB1 PHE 463 HB3 0.03 0.08 -0.11 -0.04 3.06 3.02 3lcbB1 PHE 463 HD2 0.11 -0.00 -0.30 -0.04 7.28 7.05 3lcbB1 PHE 463 HE2 -0.08 -0.02 -0.16 -0.04 7.38 7.08 3lcbB1 PHE 463 HZ -0.53 0.05 -0.07 -0.04 7.32 6.74 3lcbB1 GLY 464 H 0.01 0.76 0.25 -0.55 8.43 8.91 3lcbB1 GLY 464 HA2 0.19 0.08 0.66 -0.51 4.01 4.42 3lcbB1 GLY 464 HA3 0.25 0.01 0.10 -0.51 4.01 3.86 3lcbB1 VAL 465 H -0.02 0.44 0.05 -0.55 8.24 8.16 3lcbB1 VAL 465 HA -0.17 0.33 0.99 -0.75 4.13 4.52 3lcbB1 VAL 465 HB -0.51 0.02 0.14 -0.04 2.12 1.73 3lcbB1 VAL 465 HG13 -1.29 0.04 -0.17 -0.04 0.97 -0.49 3lcbB1 VAL 465 HG23 -0.38 -0.02 -0.20 -0.04 0.95 0.31 3lcbB1 THR 466 H -0.08 0.73 0.20 -0.55 8.28 8.58 3lcbB1 THR 466 HA 0.01 0.11 0.39 -0.75 4.39 4.14 3lcbB1 THR 466 HB 0.05 -0.30 0.06 -0.04 4.32 4.09 3lcbB1 THR 466 HG23 0.19 -0.03 0.05 -0.04 1.22 1.39 3lcbB1 ARG 467 H -0.07 0.19 0.15 -0.55 8.46 8.19 3lcbB1 ARG 467 HA -0.08 0.17 0.56 -0.75 4.34 4.24 3lcbB1 ARG 467 HB2 -0.28 -0.01 -0.00 -0.04 1.90 1.57 3lcbB1 ARG 467 HB3 -0.13 0.05 0.11 -0.04 1.80 1.79 3lcbB1 ARG 467 HG2 -0.08 0.05 0.07 -0.04 1.67 1.67 3lcbB1 ARG 467 HG3 -0.11 -0.03 0.10 -0.04 1.67 1.59 3lcbB1 ARG 467 HD2 -0.07 0.01 0.03 -0.04 3.22 3.15 3lcbB1 ARG 467 HD3 -0.09 0.06 0.03 -0.04 3.22 3.18 3lcbB1 HIS 468 H -0.01 -0.01 -0.30 -0.55 8.41 7.54 3lcbB1 HIS 468 HA 0.01 0.19 0.66 -0.75 4.63 4.74 3lcbB1 HIS 468 HB2 0.01 -0.06 -0.04 -0.04 3.26 3.13 3lcbB1 HIS 468 HB3 0.01 0.05 0.04 -0.04 3.20 3.26 3lcbB1 HIS 468 HD2 0.06 -0.02 -0.07 -0.04 6.97 6.89 3lcbB1 HIS 468 HE1 0.02 -0.05 0.00 -0.04 7.75 7.68 3lcbB1 GLY 469 H -0.07 0.40 -0.56 -0.55 8.43 7.66 3lcbB1 GLY 469 HA2 -0.36 0.10 0.19 -0.51 4.01 3.43 3lcbB1 GLY 469 HA3 -0.06 0.07 0.39 -0.51 4.01 3.90 3lcbB1 ARG 470 H -0.03 -0.13 -0.23 -0.55 8.46 7.52 3lcbB1 ARG 470 HA -0.05 0.19 0.67 -0.75 4.34 4.40 3lcbB1 ARG 470 HB2 0.01 -0.11 -0.07 -0.04 1.90 1.69 3lcbB1 ARG 470 HB3 -0.02 0.16 0.01 -0.04 1.80 1.90 3lcbB1 ARG 470 HG2 -0.01 0.06 -0.13 -0.04 1.67 1.55 3lcbB1 ARG 470 HG3 0.04 -0.08 -0.27 -0.04 1.67 1.32 3lcbB1 ARG 470 HD2 -0.04 -0.02 -0.09 -0.04 3.22 3.02 3lcbB1 ARG 470 HD3 -0.01 -0.06 -0.08 -0.04 3.22 3.04 3lcbB1 VAL 471 H -0.03 0.21 0.11 -0.55 8.24 7.98 3lcbB1 VAL 471 HA -0.00 0.28 0.90 -0.75 4.13 4.55 3lcbB1 VAL 471 HB -0.01 0.05 -0.06 -0.04 2.12 2.05 3lcbB1 VAL 471 HG13 0.12 -0.01 -0.19 -0.04 0.97 0.85 3lcbB1 VAL 471 HG23 -0.04 0.01 -0.17 -0.04 0.95 0.71 3lcbB1 VAL 472 H 0.13 0.64 0.26 -0.55 8.24 8.72 3lcbB1 VAL 472 HA 0.09 0.26 0.86 -0.75 4.13 4.59 3lcbB1 VAL 472 HB 0.16 -0.10 -0.10 -0.04 2.12 2.03 3lcbB1 VAL 472 HG13 0.04 0.02 -0.51 -0.04 0.97 0.48 3lcbB1 VAL 472 HG23 -0.03 0.01 -0.38 -0.04 0.95 0.51 3lcbB1 PHE 473 H 0.15 0.72 0.27 -0.55 8.34 8.93 3lcbB1 PHE 473 HA -0.99 0.02 0.71 -0.75 4.62 3.61 3lcbB1 PHE 473 HB2 -0.32 0.03 0.12 -0.04 3.15 2.94 3lcbB1 PHE 473 HB3 -0.19 0.11 0.17 -0.04 3.06 3.11 3lcbB1 PHE 473 HD2 -1.39 0.03 -0.10 -0.04 7.28 5.79 3lcbB1 PHE 473 HE2 -0.30 -0.10 -0.06 -0.04 7.38 6.89 3lcbB1 PHE 473 HZ -0.22 -0.08 -0.05 -0.04 7.32 6.93 3lcbB1 TYR 474 H -1.15 0.48 0.38 -0.55 8.29 7.46 3lcbB1 TYR 474 HA -0.61 0.17 0.72 -0.75 4.56 4.08 3lcbB1 TYR 474 HB2 -0.36 -0.02 0.06 -0.04 3.06 2.70 3lcbB1 TYR 474 HB3 -0.20 0.03 -0.25 -0.04 2.98 2.52 3lcbB1 TYR 474 HD2 -0.25 -0.02 -0.42 -0.04 7.15 6.42 3lcbB1 TYR 474 HE2 -0.07 -0.05 -0.24 -0.04 6.85 6.45 3lcbB1 ASP 475 H -1.42 0.17 0.19 -0.55 8.40 6.80 3lcbB1 ASP 475 HA -0.53 0.14 1.00 -0.75 4.63 4.50 3lcbB1 ASP 475 HB2 -0.17 0.05 0.06 -0.04 2.71 2.60 3lcbB1 ASP 475 HB3 -0.44 -0.02 0.21 -0.04 2.70 2.42 3lcbB1 TYR 476 H -0.44 0.14 0.07 -0.55 8.29 7.51 3lcbB1 TYR 476 HA -0.21 0.23 0.56 -0.75 4.56 4.39 3lcbB1 TYR 476 HB2 -0.43 -0.02 -0.12 -0.04 3.06 2.44 3lcbB1 TYR 476 HB3 -0.27 0.06 -0.06 -0.04 2.98 2.67 3lcbB1 TYR 476 HD2 -1.19 -0.00 -0.35 -0.04 7.15 5.56 3lcbB1 TYR 476 HE2 -0.50 0.03 -0.24 -0.04 6.85 6.09 3lcbB1 ASP 477 H -0.04 -0.02 -0.08 -0.55 8.40 7.71 3lcbB1 ASP 477 HA 0.04 0.11 0.71 -0.75 4.63 4.73 3lcbB1 ASP 477 HB2 -0.09 0.03 0.02 -0.04 2.71 2.63 3lcbB1 ASP 477 HB3 -0.10 0.01 0.07 -0.04 2.70 2.64 3lcbB1 GLU 478 H 0.03 0.14 0.08 -0.55 8.60 8.31 3lcbB1 GLU 478 HA 0.03 0.04 0.27 -0.75 4.29 3.87 3lcbB1 GLU 478 HB2 -0.00 -0.01 0.05 -0.04 2.09 2.08 3lcbB1 GLU 478 HB3 0.01 0.06 0.05 -0.04 1.99 2.07 3lcbB1 GLU 478 HG2 -0.04 -0.18 -0.57 -0.04 2.34 1.50 3lcbB1 GLU 478 HG3 -0.05 0.01 -0.19 -0.04 2.34 2.07 3lcbB1 ILE 479 H 0.07 0.16 -0.80 -0.55 8.25 7.12 3lcbB1 ILE 479 HA 0.05 0.10 0.67 -0.75 4.18 4.24 3lcbB1 ILE 479 HB 0.09 -0.03 0.02 -0.04 1.89 1.92 3lcbB1 ILE 479 HG12 0.07 -0.01 0.01 -0.04 1.49 1.52 3lcbB1 ILE 479 HG13 0.08 -0.01 -0.09 -0.04 1.21 1.14 3lcbB1 ILE 479 HG23 -0.10 0.00 -0.11 -0.04 0.93 0.69 3lcbB1 ILE 479 HD13 -0.16 0.01 -0.10 -0.04 0.88 0.60 3lcbB1 CYS 480 H 0.08 0.44 0.31 -0.55 8.50 8.78 3lcbB1 CYS 480 HA -0.12 0.06 0.27 -0.75 4.58 4.04 3lcbB1 CYS 480 HB2 0.02 -0.08 0.14 -0.04 2.97 3.02 3lcbB1 CYS 480 HB3 0.06 0.08 -0.14 -0.04 2.97 2.93 3lcbB1 TYR 481 H -0.03 0.10 0.13 -0.55 8.29 7.95 3lcbB1 TYR 481 HA 0.03 0.41 0.78 -0.75 4.56 5.02 3lcbB1 TYR 481 HB2 0.01 -0.05 0.14 -0.04 3.06 3.12 3lcbB1 TYR 481 HB3 0.03 -0.08 0.08 -0.04 2.98 2.97 3lcbB1 TYR 481 HD2 0.02 0.14 0.09 -0.04 7.15 7.36 3lcbB1 TYR 481 HE2 0.08 0.03 -0.01 -0.04 6.85 6.90 3lcbB1 MET 482 H 0.24 0.59 0.02 -0.55 8.47 8.78 3lcbB1 MET 482 HA 0.20 0.05 0.23 -0.75 4.52 4.24 3lcbB1 MET 482 HB2 0.23 0.03 -0.24 -0.04 2.15 2.14 3lcbB1 MET 482 HB3 0.17 0.00 0.01 -0.04 2.03 2.18 3lcbB1 MET 482 HG2 0.22 0.06 -0.08 -0.04 2.63 2.80 3lcbB1 MET 482 HG3 0.36 -0.05 0.01 -0.04 2.56 2.83 3lcbB1 MET 482 HE3 0.31 0.01 -0.04 -0.04 2.10 2.34 3lcbB1 THR 483 H 0.12 0.07 -0.33 -0.55 8.28 7.59 3lcbB1 THR 483 HA 0.05 0.13 0.44 -0.75 4.39 4.26 3lcbB1 THR 483 HB 0.01 0.02 0.10 -0.04 4.32 4.41 3lcbB1 THR 483 HG23 0.01 0.01 0.01 -0.04 1.22 1.21 3lcbB1 GLU 484 H 0.05 0.51 -0.42 -0.55 8.60 8.19 3lcbB1 GLU 484 HA -0.01 0.11 0.60 -0.75 4.29 4.23 3lcbB1 GLU 484 HB2 0.01 0.14 0.03 -0.04 2.09 2.23 3lcbB1 GLU 484 HB3 -0.00 -0.05 0.07 -0.04 1.99 1.96 3lcbB1 GLU 484 HG2 0.07 0.02 -0.04 -0.04 2.34 2.35 3lcbB1 GLU 484 HG3 0.15 -0.08 -0.03 -0.04 2.34 2.34 3lcbB1 VAL 485 H -0.15 0.27 -0.24 -0.55 8.24 7.57 3lcbB1 VAL 485 HA -0.34 0.18 0.81 -0.75 4.13 4.02 3lcbB1 VAL 485 HB -0.64 -0.01 -0.06 -0.04 2.12 1.36 3lcbB1 VAL 485 HG13 -0.51 0.02 -0.03 -0.04 0.97 0.41 3lcbB1 VAL 485 HG23 -1.53 0.01 -0.26 -0.04 0.95 -0.88 3lcbB1 ASN 486 H -0.39 0.42 0.02 -0.55 8.53 8.04 3lcbB1 ASN 486 HA -0.21 0.14 0.82 -0.75 4.76 4.75 3lcbB1 ASN 486 HB2 -0.15 0.05 -0.05 -0.04 2.88 2.70 3lcbB1 ASN 486 HB3 -0.22 -0.04 -0.01 -0.04 2.79 2.47 3lcbB1 ASN 486 HD21 -0.09 -0.02 -0.07 -0.04 7.03 6.80 3lcbB1 ASN 486 HD22 -0.10 0.01 -0.06 -0.04 7.74 7.55 3lcbB1 PHE 487 H -0.07 0.20 0.04 -0.55 8.34 7.95 3lcbB1 PHE 487 HA -0.34 0.18 0.76 -0.75 4.62 4.47 3lcbB1 PHE 487 HB2 -0.07 -0.03 0.13 -0.04 3.15 3.14 3lcbB1 PHE 487 HB3 -0.13 -0.05 0.03 -0.04 3.06 2.88 3lcbB1 PHE 487 HD2 -0.25 0.01 -0.07 -0.04 7.28 6.93 3lcbB1 PHE 487 HE2 -0.39 0.07 -0.09 -0.04 7.38 6.93 3lcbB1 PHE 487 HZ 0.03 0.03 -0.07 -0.04 7.32 7.27 3lcbB1 ARG 488 H -0.39 0.70 0.43 -0.55 8.46 8.65 3lcbB1 ARG 488 HA -0.09 0.12 0.96 -0.75 4.34 4.58 3lcbB1 ARG 488 HB2 -0.30 0.03 -0.08 -0.04 1.90 1.51 3lcbB1 ARG 488 HB3 -0.11 0.00 0.08 -0.04 1.80 1.73 3lcbB1 ARG 488 HG2 -0.37 -0.01 -0.36 -0.04 1.67 0.90 3lcbB1 ARG 488 HG3 -0.88 -0.05 -0.00 -0.04 1.67 0.70 3lcbB1 ARG 488 HD2 -0.11 0.00 -0.05 -0.04 3.22 3.02 3lcbB1 ARG 488 HD3 -0.17 -0.00 -0.08 -0.04 3.22 2.93 3lcbB1 ASP 489 H -0.01 0.13 0.14 -0.55 8.40 8.11 3lcbB1 ASP 489 HA 0.06 0.00 0.78 -0.75 4.63 4.72 3lcbB1 ASP 489 HB2 0.00 0.07 -0.09 -0.04 2.71 2.65 3lcbB1 ASP 489 HB3 0.03 0.03 0.11 -0.04 2.70 2.83 3lcbB1 ILE 490 H 0.05 0.05 0.12 -0.55 8.25 7.93 3lcbB1 ILE 490 HA -0.20 0.14 0.64 -0.75 4.18 4.00 3lcbB1 ILE 490 HB -0.01 -0.05 0.10 -0.04 1.89 1.89 3lcbB1 ILE 490 HG12 -0.18 0.06 -0.01 -0.04 1.49 1.32 3lcbB1 ILE 490 HG13 0.06 -0.14 0.04 -0.04 1.21 1.13 3lcbB1 ILE 490 HG23 -0.08 0.07 -0.10 -0.04 0.93 0.79 3lcbB1 ILE 490 HD13 -0.02 0.01 -0.03 -0.04 0.88 0.79 3lcbB1 PRO 491 HA -0.06 0.06 0.46 -0.51 4.44 4.39 3lcbB1 PRO 491 HB2 -0.08 0.03 -0.03 -0.04 2.28 2.16 3lcbB1 PRO 491 HB3 -0.07 0.01 0.08 -0.04 2.02 2.00 3lcbB1 PRO 491 HG2 -1.12 -0.05 0.06 -0.04 2.03 0.89 3lcbB1 PRO 491 HG3 -0.39 0.05 0.07 -0.04 2.03 1.72 3lcbB1 PRO 491 HD2 -1.36 0.03 0.18 -0.04 3.68 2.50 3lcbB1 PRO 491 HD3 -0.58 0.28 0.27 -0.04 3.65 3.58 3lcbB1 PRO 492 HA 0.12 0.11 0.51 -0.51 4.44 4.67 3lcbB1 PRO 492 HB2 0.04 0.14 -0.01 -0.04 2.28 2.40 3lcbB1 PRO 492 HB3 0.05 -0.01 0.11 -0.04 2.02 2.12 3lcbB1 PRO 492 HG2 0.05 0.01 -0.02 -0.04 2.03 2.04 3lcbB1 PRO 492 HG3 0.03 0.01 0.05 -0.04 2.03 2.07 3lcbB1 PRO 492 HD2 0.03 0.03 0.20 -0.04 3.68 3.90 3lcbB1 PRO 492 HD3 0.03 0.14 0.16 -0.04 3.65 3.94 3lcbB1 PRO 493 HA -0.24 0.02 0.53 -0.51 4.44 4.24 3lcbB1 PRO 493 HB2 -0.16 0.07 -0.17 -0.04 2.28 1.98 3lcbB1 PRO 493 HB3 -0.14 0.01 -0.03 -0.04 2.02 1.82 3lcbB1 PRO 493 HG2 -0.02 0.01 0.00 -0.04 2.03 1.99 3lcbB1 PRO 493 HG3 0.01 0.04 0.01 -0.04 2.03 2.05 3lcbB1 PRO 493 HD2 0.06 0.06 0.19 -0.04 3.68 3.95 3lcbB1 PRO 493 HD3 0.13 0.18 0.10 -0.04 3.65 4.02 3lcbB1 ARG 494 H -0.64 0.08 0.17 -0.55 8.46 7.52 3lcbB1 ARG 494 HA -0.31 0.16 0.67 -0.75 4.34 4.09 3lcbB1 ARG 494 HB2 -1.81 -0.08 0.09 -0.04 1.90 0.06 3lcbB1 ARG 494 HB3 -1.02 0.01 0.05 -0.04 1.80 0.79 3lcbB1 ARG 494 HG2 -0.26 0.00 0.02 -0.04 1.67 1.40 3lcbB1 ARG 494 HG3 -0.16 0.10 0.01 -0.04 1.67 1.57 3lcbB1 ARG 494 HD2 -0.08 0.06 0.03 -0.04 3.22 3.19 3lcbB1 ARG 494 HD3 -1.04 -0.10 0.12 -0.04 3.22 2.15 3lcbB1 TYR 495 H -0.53 0.04 0.09 -0.55 8.29 7.34 3lcbB1 TYR 495 HA -0.09 0.30 0.81 -0.75 4.56 4.82 3lcbB1 TYR 495 HB2 -0.17 -0.14 -0.01 -0.04 3.06 2.70 3lcbB1 TYR 495 HB3 -0.10 0.06 0.09 -0.04 2.98 3.00 3lcbB1 TYR 495 HD2 -0.14 0.06 -0.10 -0.04 7.15 6.93 3lcbB1 TYR 495 HE2 -0.08 0.04 -0.04 -0.04 6.85 6.74 3lcbB1 PRO 496 HA -0.03 0.13 0.46 -0.51 4.44 4.50 3lcbB1 PRO 496 HB2 -0.01 0.02 0.03 -0.04 2.28 2.28 3lcbB1 PRO 496 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 3lcbB1 PRO 496 HG2 0.00 0.06 0.08 -0.04 2.03 2.14 3lcbB1 PRO 496 HG3 0.01 0.09 0.07 -0.04 2.03 2.16 3lcbB1 PRO 496 HD2 0.05 0.07 0.21 -0.04 3.68 3.97 3lcbB1 PRO 496 HD3 0.06 0.22 0.21 -0.04 3.65 4.10 3lcbB1 GLU 497 H 0.00 0.12 -0.18 -0.55 8.60 7.99 3lcbB1 GLU 497 HA -0.03 0.11 0.37 -0.75 4.29 3.99 3lcbB1 GLU 497 HB2 -0.03 0.05 0.05 -0.04 2.09 2.12 3lcbB1 GLU 497 HB3 -0.03 0.01 0.07 -0.04 1.99 1.99 3lcbB1 GLU 497 HG2 0.03 -0.10 -0.05 -0.04 2.34 2.18 3lcbB1 GLU 497 HG3 -0.04 0.06 -0.27 -0.04 2.34 2.05 3lcbB1 ASP 498 H -0.14 0.30 -0.48 -0.55 8.40 7.53 3lcbB1 ASP 498 HA -0.24 0.07 0.44 -0.75 4.63 4.15 3lcbB1 ASP 498 HB2 -0.46 0.26 0.16 -0.04 2.71 2.62 3lcbB1 ASP 498 HB3 -1.05 0.07 0.04 -0.04 2.70 1.73 3lcbB1 GLU 499 H -0.07 0.37 -0.22 -0.55 8.60 8.13 3lcbB1 GLU 499 HA 0.03 0.10 0.54 -0.75 4.29 4.20 3lcbB1 GLU 499 HB2 -0.01 0.10 0.08 -0.04 2.09 2.22 3lcbB1 GLU 499 HB3 0.00 -0.02 0.09 -0.04 1.99 2.03 3lcbB1 GLU 499 HG2 0.00 0.00 0.04 -0.04 2.34 2.34 3lcbB1 GLU 499 HG3 -0.04 -0.01 0.10 -0.04 2.34 2.34 3lcbB1 LEU 500 H -0.01 0.23 -0.44 -0.55 8.37 7.60 3lcbB1 LEU 500 HA 0.00 0.24 0.85 -0.75 4.35 4.69 3lcbB1 LEU 500 HB2 -0.01 0.02 0.02 -0.04 1.64 1.63 3lcbB1 LEU 500 HB3 -0.01 -0.04 0.13 -0.04 1.64 1.68 3lcbB1 LEU 500 HG -0.01 -0.04 -0.39 -0.04 1.64 1.16 3lcbB1 LEU 500 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.81 3lcbB1 LEU 500 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 3lcbB1 ALA 501 H 0.03 0.17 -0.21 -0.55 8.40 7.85 3lcbB1 ALA 501 HA 0.02 -0.01 0.62 -0.75 4.34 4.22 3lcbB1 ALA 501 HB3 0.09 0.03 0.06 -0.04 1.41 1.54 3lcbB1 SER 502 H 0.02 0.03 0.17 -0.55 8.46 8.13 3lcbB1 SER 502 HA -0.00 0.15 0.62 -0.75 4.49 4.50 3lcbB1 SER 502 HB2 -0.00 0.00 0.01 -0.04 3.95 3.92 3lcbB1 SER 502 HB3 -0.00 0.02 0.09 -0.04 3.93 4.00 3lcbB1 GLU 503 H 0.01 -0.02 0.07 -0.55 8.60 8.11 3lcbB1 GLU 503 HA -0.04 0.18 0.70 -0.75 4.29 4.37 3lcbB1 GLU 503 HB2 -0.03 0.15 -0.05 -0.04 2.09 2.12 3lcbB1 GLU 503 HB3 -0.01 -0.02 0.05 -0.04 1.99 1.97 3lcbB1 GLU 503 HG2 0.01 -0.12 0.10 -0.04 2.34 2.29 3lcbB1 GLU 503 HG3 0.02 0.01 -0.03 -0.04 2.34 2.30 3lcbB1 PRO 504 HA -0.14 0.05 0.40 -0.51 4.44 4.25 3lcbB1 PRO 504 HB2 -0.75 0.16 0.01 -0.04 2.28 1.65 3lcbB1 PRO 504 HB3 -1.21 -0.02 0.05 -0.04 2.02 0.80 3lcbB1 PRO 504 HG2 -0.33 0.01 0.06 -0.04 2.03 1.74 3lcbB1 PRO 504 HG3 -0.28 0.07 0.04 -0.04 2.03 1.82 3lcbB1 PRO 504 HD2 -0.15 0.06 0.20 -0.04 3.68 3.75 3lcbB1 PRO 504 HD3 -0.10 0.26 0.25 -0.04 3.65 4.02 3lcbB1 TRP 505 H 0.38 0.10 0.17 -0.55 7.97 8.07 3lcbB1 TRP 505 HA -0.08 0.12 0.56 -0.75 4.62 4.47 3lcbB1 TRP 505 HB2 0.02 -0.02 0.04 -0.04 3.23 3.23 3lcbB1 TRP 505 HB3 -0.00 -0.00 0.11 -0.04 3.23 3.29 3lcbB1 TRP 505 HD1 0.07 -0.00 -0.12 -0.04 7.22 7.12 3lcbB1 TRP 505 HE1 0.04 0.05 -0.02 -0.04 10.20 10.23 3lcbB1 TRP 505 HE3 -0.05 0.02 0.17 -0.04 7.59 7.69 3lcbB1 TRP 505 HZ2 0.03 0.35 -0.29 -0.04 7.44 7.49 3lcbB1 TRP 505 HZ3 0.03 0.18 0.03 -0.04 7.13 7.33 3lcbB1 TRP 505 HH2 0.07 0.08 -0.16 -0.04 7.19 7.13 3lcbB1 TYR 506 H -1.33 0.01 -0.09 -0.55 8.29 6.34 3lcbB1 TYR 506 HA -0.13 0.07 0.67 -0.75 4.56 4.42 3lcbB1 TYR 506 HB2 -0.22 0.09 0.02 -0.04 3.06 2.91 3lcbB1 TYR 506 HB3 -0.44 -0.02 0.07 -0.04 2.98 2.55 3lcbB1 TYR 506 HD2 -1.28 0.02 -0.16 -0.04 7.15 5.70 3lcbB1 TYR 506 HE2 -1.12 0.03 -0.04 -0.04 6.85 5.68 3lcbB1 SER 507 H 0.06 0.09 0.15 -0.55 8.46 8.21 3lcbB1 SER 507 HA -0.04 0.19 0.81 -0.75 4.49 4.70 3lcbB1 SER 507 HB2 0.02 0.06 -0.04 -0.04 3.95 3.95 3lcbB1 SER 507 HB3 0.01 0.02 0.03 -0.04 3.93 3.96 3lcbB1 VAL 508 H 0.01 0.22 0.18 -0.55 8.24 8.10 3lcbB1 VAL 508 HA 0.13 0.15 0.84 -0.75 4.13 4.50 3lcbB1 VAL 508 HB 0.28 0.00 0.03 -0.04 2.12 2.40 3lcbB1 VAL 508 HG13 0.06 0.02 -0.20 -0.04 0.97 0.82 3lcbB1 VAL 508 HG23 0.07 -0.00 -0.19 -0.04 0.95 0.78 3lcbB1 SER 509 H 0.03 0.21 0.16 -0.55 8.46 8.31 3lcbB1 SER 509 HA 0.01 0.20 0.85 -0.75 4.49 4.80 3lcbB1 SER 509 HB2 -0.01 0.11 0.00 -0.04 3.95 4.01 3lcbB1 SER 509 HB3 0.00 0.01 0.01 -0.04 3.93 3.92 3lcbB1 PRO 510 HA -0.02 -0.00 0.43 -0.51 4.44 4.33 3lcbB1 PRO 510 HB2 -0.02 0.04 0.10 -0.04 2.28 2.36 3lcbB1 PRO 510 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 3lcbB1 PRO 510 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 3lcbB1 PRO 510 HG3 -0.01 0.04 0.10 -0.04 2.03 2.13 3lcbB1 PRO 510 HD2 -0.01 0.10 0.22 -0.04 3.68 3.95 3lcbB1 PRO 510 HD3 -0.00 0.16 0.18 -0.04 3.65 3.95 3lcbB1 GLY 511 H -0.07 0.13 0.16 -0.55 8.43 8.10 3lcbB1 GLY 511 HA2 -0.15 0.01 0.35 -0.51 4.01 3.71 3lcbB1 GLY 511 HA3 -0.13 0.22 0.85 -0.51 4.01 4.44 3lcbB1 ASP 512 H -0.11 0.50 -0.06 -0.55 8.40 8.18 3lcbB1 ASP 512 HA -0.36 0.29 0.64 -0.75 4.63 4.45 3lcbB1 ASP 512 HB2 -0.02 -0.04 0.13 -0.04 2.71 2.75 3lcbB1 ASP 512 HB3 -0.39 -0.01 0.04 -0.04 2.70 2.29 3lcbB1 VAL 513 H -0.62 0.52 0.38 -0.55 8.24 7.98 3lcbB1 VAL 513 HA -0.17 0.11 0.69 -0.75 4.13 4.00 3lcbB1 VAL 513 HB -0.76 -0.01 -0.05 -0.04 2.12 1.25 3lcbB1 VAL 513 HG13 -0.00 -0.02 -0.20 -0.04 0.97 0.70 3lcbB1 VAL 513 HG23 -0.45 0.04 -0.22 -0.04 0.95 0.28 3lcbB1 PHE 514 H 0.08 0.20 0.01 -0.55 8.34 8.08 3lcbB1 PHE 514 HA -0.12 0.42 1.04 -0.75 4.62 5.20 3lcbB1 PHE 514 HB2 -0.05 -0.03 0.16 -0.04 3.15 3.18 3lcbB1 PHE 514 HB3 -0.08 -0.06 0.06 -0.04 3.06 2.94 3lcbB1 PHE 514 HD2 -0.06 0.00 -0.30 -0.04 7.28 6.88 3lcbB1 PHE 514 HE2 -0.10 0.05 -0.16 -0.04 7.38 7.14 3lcbB1 PHE 514 HZ -0.01 0.01 -0.11 -0.04 7.32 7.17 3lcbB1 PRO 515 HA -1.89 0.09 0.37 -0.51 4.44 2.51 3lcbB1 PRO 515 HB2 0.04 -0.06 -0.59 -0.04 2.28 1.63 3lcbB1 PRO 515 HB3 0.10 0.35 -0.14 -0.04 2.02 2.30 3lcbB1 PRO 515 HG2 -0.14 -0.05 -0.18 -0.04 2.03 1.62 3lcbB1 PRO 515 HG3 -0.73 0.10 -0.08 -0.04 2.03 1.27 3lcbB1 PRO 515 HD2 -0.09 0.18 0.16 -0.04 3.68 3.89 3lcbB1 PRO 515 HD3 -0.18 0.16 -0.33 -0.04 3.65 3.26 3lcbB1 GLU 516 H -0.02 0.04 -0.28 -0.55 8.60 7.79 3lcbB1 GLU 516 HA 0.07 0.17 0.56 -0.75 4.29 4.34 3lcbB1 GLU 516 HB2 0.05 -0.09 0.12 -0.04 2.09 2.13 3lcbB1 GLU 516 HB3 0.02 0.03 0.01 -0.04 1.99 2.01 3lcbB1 GLU 516 HG2 0.05 0.02 0.12 -0.04 2.34 2.50 3lcbB1 GLU 516 HG3 0.08 0.12 0.19 -0.04 2.34 2.69 3lcbB1 GLU 517 H -0.02 0.51 -0.17 -0.55 8.60 8.37 3lcbB1 GLU 517 HA 0.10 0.08 0.43 -0.75 4.29 4.16 3lcbB1 GLU 517 HB2 0.24 -0.01 0.11 -0.04 2.09 2.38 3lcbB1 GLU 517 HB3 0.10 -0.03 0.11 -0.04 1.99 2.13 3lcbB1 GLU 517 HG2 0.18 0.23 0.06 -0.04 2.34 2.77 3lcbB1 GLU 517 HG3 0.48 -0.03 -0.29 -0.04 2.34 2.46 3lcbB1 PHE 518 H 0.03 0.34 -0.25 -0.55 8.34 7.91 3lcbB1 PHE 518 HA 0.33 0.03 0.35 -0.75 4.62 4.58 3lcbB1 PHE 518 HB2 0.57 0.16 0.03 -0.04 3.15 3.87 3lcbB1 PHE 518 HB3 0.34 -0.05 0.02 -0.04 3.06 3.33 3lcbB1 PHE 518 HD2 0.25 0.01 -0.01 -0.04 7.28 7.49 3lcbB1 PHE 518 HE2 -0.11 -0.01 -0.06 -0.04 7.38 7.16 3lcbB1 PHE 518 HZ -0.01 -0.02 -0.13 -0.04 7.32 7.12 3lcbB1 ARG 519 H -0.02 0.34 -0.56 -0.55 8.46 7.67 3lcbB1 ARG 519 HA -0.46 -0.02 0.22 -0.75 4.34 3.33 3lcbB1 ARG 519 HB2 -0.77 0.09 0.09 -0.04 1.90 1.27 3lcbB1 ARG 519 HB3 -0.24 0.07 0.03 -0.04 1.80 1.62 3lcbB1 ARG 519 HG2 -0.24 -0.01 -0.08 -0.04 1.67 1.30 3lcbB1 ARG 519 HG3 -0.64 -0.04 0.01 -0.04 1.67 0.97 3lcbB1 ARG 519 HD2 -0.20 0.04 -0.01 -0.04 3.22 3.01 3lcbB1 ARG 519 HD3 -0.14 -0.01 -0.04 -0.04 3.22 2.99 3lcbB1 HIS 520 H 0.06 0.40 -0.20 -0.55 8.41 8.13 3lcbB1 HIS 520 HA -0.25 0.10 0.39 -0.75 4.63 4.11 3lcbB1 HIS 520 HB2 -0.42 0.02 0.09 -0.04 3.26 2.90 3lcbB1 HIS 520 HB3 -1.16 0.04 0.08 -0.04 3.20 2.13 3lcbB1 HIS 520 HD2 -0.26 0.02 0.02 -0.04 6.97 6.71 3lcbB1 HIS 520 HE1 -0.38 -0.03 -0.04 -0.04 7.75 7.26 3lcbB1 TRP 521 H 0.34 0.28 -0.13 -0.55 7.97 7.92 3lcbB1 TRP 521 HA -0.21 0.08 0.51 -0.75 4.62 4.24 3lcbB1 TRP 521 HB2 -0.05 0.15 0.09 -0.04 3.23 3.38 3lcbB1 TRP 521 HB3 -0.13 -0.09 0.04 -0.04 3.23 3.02 3lcbB1 TRP 521 HD1 -0.02 -0.05 0.01 -0.04 7.22 7.11 3lcbB1 TRP 521 HE1 0.08 -0.02 -0.03 -0.04 10.20 10.20 3lcbB1 TRP 521 HE3 0.13 0.08 0.05 -0.04 7.59 7.82 3lcbB1 TRP 521 HZ2 0.08 -0.01 -0.02 -0.04 7.44 7.45 3lcbB1 TRP 521 HZ3 0.12 0.07 -0.04 -0.04 7.13 7.24 3lcbB1 TRP 521 HH2 0.06 0.00 -0.01 -0.04 7.19 7.19 3lcbB1 LEU 522 H 0.03 0.35 -0.13 -0.55 8.37 8.08 3lcbB1 LEU 522 HA -0.32 0.08 0.68 -0.75 4.35 4.04 3lcbB1 LEU 522 HB2 -0.03 0.16 -0.01 -0.04 1.64 1.72 3lcbB1 LEU 522 HB3 -0.73 -0.01 -0.12 -0.04 1.64 0.74 3lcbB1 LEU 522 HG -0.41 -0.05 -0.00 -0.04 1.64 1.14 3lcbB1 LEU 522 HD13 -0.46 0.05 -0.08 -0.04 0.93 0.41 3lcbB1 LEU 522 HD23 0.14 0.01 -0.07 -0.04 0.89 0.93 3lcbB1 CYS 523 H -0.11 0.54 -0.13 -0.55 8.50 8.25 3lcbB1 CYS 523 HA 0.12 0.14 0.70 -0.75 4.58 4.80 3lcbB1 CYS 523 HB2 -0.10 0.16 0.11 -0.04 2.97 3.11 3lcbB1 CYS 523 HB3 0.04 -0.08 0.14 -0.04 2.97 3.03 3lcbB1 ALA 524 H -0.01 0.13 -0.51 -0.55 8.40 7.46 3lcbB1 ALA 524 HA -0.10 0.11 0.48 -0.75 4.34 4.07 3lcbB1 ALA 524 HB3 -0.13 0.03 0.06 -0.04 1.41 1.34 3lcbB1 ASP 525 H 0.08 0.08 -0.09 -0.55 8.40 7.92 3lcbB1 ASP 525 HA 0.02 0.14 0.45 -0.75 4.63 4.48 3lcbB1 ASP 525 HB2 0.06 0.08 0.11 -0.04 2.71 2.91 3lcbB1 ASP 525 HB3 0.07 -0.07 0.11 -0.04 2.70 2.76 3lcbB1 PRO 526 HA 0.03 0.15 0.41 -0.51 4.44 4.51 3lcbB1 PRO 526 HB2 0.01 0.01 -0.01 -0.04 2.28 2.26 3lcbB1 PRO 526 HB3 0.01 0.07 0.14 -0.04 2.02 2.20 3lcbB1 PRO 526 HG2 0.01 -0.04 0.09 -0.04 2.03 2.05 3lcbB1 PRO 526 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 3lcbB1 PRO 526 HD2 0.01 0.03 0.26 -0.04 3.68 3.94 3lcbB1 PRO 526 HD3 0.01 0.27 0.25 -0.04 3.65 4.13 3lcbB1 ARG 527 H 0.02 0.06 -0.24 -0.55 8.46 7.74 3lcbB1 ARG 527 HA 0.01 0.14 0.66 -0.75 4.34 4.40 3lcbB1 ARG 527 HB2 -0.01 -0.01 0.09 -0.04 1.90 1.93 3lcbB1 ARG 527 HB3 -0.01 -0.00 0.03 -0.04 1.80 1.77 3lcbB1 ARG 527 HG2 -0.01 0.01 0.03 -0.04 1.67 1.65 3lcbB1 ARG 527 HG3 -0.00 -0.06 0.01 -0.04 1.67 1.58 3lcbB1 ARG 527 HD2 -0.02 0.02 0.04 -0.04 3.22 3.22 3lcbB1 ARG 527 HD3 -0.01 -0.02 0.05 -0.04 3.22 3.20 3lcbB1 ILE 528 H 0.04 0.06 -0.09 -0.55 8.25 7.71 3lcbB1 ILE 528 HA 0.03 0.02 0.27 -0.75 4.18 3.74 3lcbB1 ILE 528 HB 0.08 0.01 0.12 -0.04 1.89 2.06 3lcbB1 ILE 528 HG12 0.13 -0.02 0.01 -0.04 1.49 1.58 3lcbB1 ILE 528 HG13 0.33 0.16 -0.23 -0.04 1.21 1.43 3lcbB1 ILE 528 HG23 -0.06 -0.02 0.03 -0.04 0.93 0.85 3lcbB1 ILE 528 HD13 0.24 -0.04 0.04 -0.04 0.88 1.08 3lcbB1 GLY 529 H 0.11 0.24 -0.62 -0.55 8.43 7.62 3lcbB1 GLY 529 HA2 0.26 0.02 0.37 -0.51 4.01 4.15 3lcbB1 GLY 529 HA3 0.12 0.17 0.21 -0.51 4.01 3.99 3lcbB1 PRO 530 HA 0.09 0.04 0.43 -0.51 4.44 4.48 3lcbB1 PRO 530 HB2 0.04 0.03 0.04 -0.04 2.28 2.34 3lcbB1 PRO 530 HB3 0.04 -0.00 0.05 -0.04 2.02 2.07 3lcbB1 PRO 530 HG2 0.03 0.09 0.13 -0.04 2.03 2.24 3lcbB1 PRO 530 HG3 0.04 -0.00 0.08 -0.04 2.03 2.11 3lcbB1 PRO 530 HD2 0.06 0.25 -0.10 -0.04 3.68 3.86 3lcbB1 PRO 530 HD3 0.07 0.12 0.08 -0.04 3.65 3.88 3lcbB1 LEU 531 H 0.06 0.29 -0.35 -0.55 8.37 7.83 3lcbB1 LEU 531 HA -0.02 0.01 0.40 -0.75 4.35 3.98 3lcbB1 LEU 531 HB2 -0.08 0.17 0.02 -0.04 1.64 1.71 3lcbB1 LEU 531 HB3 -0.11 -0.04 -0.01 -0.04 1.64 1.44 3lcbB1 LEU 531 HG -0.01 0.03 0.01 -0.04 1.64 1.62 3lcbB1 LEU 531 HD13 -0.04 -0.00 -0.13 -0.04 0.93 0.71 3lcbB1 LEU 531 HD23 -0.04 -0.02 -0.01 -0.04 0.89 0.78 3lcbB1 PHE 532 H 0.26 0.45 -0.24 -0.55 8.34 8.25 3lcbB1 PHE 532 HA 0.20 -0.02 0.40 -0.75 4.62 4.44 3lcbB1 PHE 532 HB2 0.26 0.26 0.14 -0.04 3.15 3.77 3lcbB1 PHE 532 HB3 0.49 -0.02 -0.14 -0.04 3.06 3.34 3lcbB1 PHE 532 HD2 0.18 0.15 0.02 -0.04 7.28 7.59 3lcbB1 PHE 532 HE2 0.31 0.01 -0.01 -0.04 7.38 7.65 3lcbB1 PHE 532 HZ 0.01 -0.03 -0.01 -0.04 7.32 7.25 3lcbB1 GLU 533 H 0.27 0.40 -0.14 -0.55 8.60 8.58 3lcbB1 GLU 533 HA 0.23 0.02 0.36 -0.75 4.29 4.15 3lcbB1 GLU 533 HB2 0.11 0.07 0.06 -0.04 2.09 2.29 3lcbB1 GLU 533 HB3 0.11 -0.04 0.04 -0.04 1.99 2.06 3lcbB1 GLU 533 HG2 0.21 0.13 -0.01 -0.04 2.34 2.63 3lcbB1 GLU 533 HG3 0.11 -0.02 -0.05 -0.04 2.34 2.33 3lcbB1 GLU 534 H 0.07 0.39 -0.38 -0.55 8.60 8.14 3lcbB1 GLU 534 HA 0.01 0.05 0.52 -0.75 4.29 4.11 3lcbB1 GLU 534 HB2 0.01 0.04 0.05 -0.04 2.09 2.15 3lcbB1 GLU 534 HB3 -0.03 0.03 0.19 -0.04 1.99 2.14 3lcbB1 GLU 534 HG2 -0.04 0.01 -0.18 -0.04 2.34 2.09 3lcbB1 GLU 534 HG3 -0.01 -0.03 0.00 -0.04 2.34 2.25 3lcbB1 MET 535 H -0.10 0.59 0.12 -0.55 8.47 8.53 3lcbB1 MET 535 HA -0.16 0.20 0.88 -0.75 4.52 4.68 3lcbB1 MET 535 HB2 -0.50 -0.02 0.10 -0.04 2.15 1.69 3lcbB1 MET 535 HB3 -0.20 -0.03 0.03 -0.04 2.03 1.79 3lcbB1 MET 535 HG2 -0.20 0.27 0.17 -0.04 2.63 2.83 3lcbB1 MET 535 HG3 -0.57 -0.01 -0.06 -0.04 2.56 1.87 3lcbB1 MET 535 HE3 -0.11 0.01 0.01 -0.04 2.10 1.97 3lcbB1 HIS 536 H 0.01 0.51 -0.05 -0.55 8.41 8.34 3lcbB1 HIS 536 HA -0.10 0.14 0.98 -0.75 4.63 4.90 3lcbB1 HIS 536 HB2 0.16 0.04 0.14 -0.04 3.26 3.57 3lcbB1 HIS 536 HB3 0.01 -0.08 0.19 -0.04 3.20 3.28 3lcbB1 HIS 536 HD2 -0.24 0.01 -0.16 -0.04 6.97 6.54 3lcbB1 HIS 536 HE1 -0.07 0.03 -0.02 -0.04 7.75 7.64 3lcbB1 ALA 537 H 0.01 0.24 -0.18 -0.55 8.40 7.93 3lcbB1 ALA 537 HA 0.17 0.11 0.38 -0.75 4.34 4.25 3lcbB1 ALA 537 HB3 0.07 0.06 0.05 -0.04 1.41 1.55 3lcbB1 ASP 538 H -0.15 0.13 -0.30 -0.55 8.40 7.53 3lcbB1 ASP 538 HA -0.16 0.04 0.36 -0.75 4.63 4.11 3lcbB1 ASP 538 HB2 -0.97 0.07 -0.06 -0.04 2.71 1.70 3lcbB1 ASP 538 HB3 -1.05 -0.01 0.03 -0.04 2.70 1.62 3lcbB1 LEU 539 H -0.29 0.30 -0.34 -0.55 8.37 7.49 3lcbB1 LEU 539 HA -0.07 0.07 0.29 -0.75 4.35 3.89 3lcbB1 LEU 539 HB2 -0.43 0.17 0.03 -0.04 1.64 1.36 3lcbB1 LEU 539 HB3 0.08 0.02 0.04 -0.04 1.64 1.73 3lcbB1 LEU 539 HG -0.27 -0.07 0.02 -0.04 1.64 1.28 3lcbB1 LEU 539 HD13 -0.12 0.01 0.03 -0.04 0.93 0.81 3lcbB1 LEU 539 HD23 -0.36 0.00 -0.07 -0.04 0.89 0.42 3lcbB1 PHE 540 H -0.01 0.28 -0.53 -0.55 8.34 7.53 3lcbB1 PHE 540 HA 0.18 0.30 0.64 -0.75 4.62 4.99 3lcbB1 PHE 540 HB2 0.11 0.07 -0.01 -0.04 3.15 3.27 3lcbB1 PHE 540 HB3 0.09 -0.05 0.08 -0.04 3.06 3.14 3lcbB1 PHE 540 HD2 0.19 0.13 -0.08 -0.04 7.28 7.48 3lcbB1 PHE 540 HE2 0.15 -0.03 -0.25 -0.04 7.38 7.21 3lcbB1 PHE 540 HZ -0.49 -0.02 -0.16 -0.04 7.32 6.61 3lcbB1 ARG 541 H 0.23 0.45 -0.26 -0.55 8.46 8.33 3lcbB1 ARG 541 HA 0.15 0.12 0.88 -0.75 4.34 4.74 3lcbB1 ARG 541 HB2 0.14 0.06 0.17 -0.04 1.90 2.22 3lcbB1 ARG 541 HB3 0.12 -0.14 0.07 -0.04 1.80 1.81 3lcbB1 ARG 541 HG2 0.12 0.04 -0.10 -0.04 1.67 1.69 3lcbB1 ARG 541 HG3 0.11 0.26 -0.02 -0.04 1.67 1.98 3lcbB1 ARG 541 HD2 0.07 -0.03 -0.01 -0.04 3.22 3.21 3lcbB1 ARG 541 HD3 0.07 0.04 -0.06 -0.04 3.22 3.23 3lcbB1 ALA 542 H 0.11 0.20 0.10 -0.55 8.40 8.26 3lcbB1 ALA 542 HA 0.11 0.13 0.43 -0.75 4.34 4.25 3lcbB1 ALA 542 HB3 0.05 0.06 -0.16 -0.04 1.41 1.32 3lcbB1 ASP 543 H 0.11 0.06 -0.23 -0.55 8.40 7.79 3lcbB1 ASP 543 HA 0.05 0.09 0.27 -0.75 4.63 4.28 3lcbB1 ASP 543 HB2 0.08 0.05 -0.04 -0.04 2.71 2.76 3lcbB1 ASP 543 HB3 0.05 0.05 0.04 -0.04 2.70 2.80 3lcbB1 TYR 544 H 0.22 0.23 -0.38 -0.55 8.29 7.81 3lcbB1 TYR 544 HA -0.06 0.05 0.38 -0.75 4.56 4.18 3lcbB1 TYR 544 HB2 -0.06 -0.08 0.07 -0.04 3.06 2.95 3lcbB1 TYR 544 HB3 -0.05 0.32 0.16 -0.04 2.98 3.37 3lcbB1 TYR 544 HD2 -0.50 0.02 -0.12 -0.04 7.15 6.51 3lcbB1 TYR 544 HE2 -0.56 0.03 -0.10 -0.04 6.85 6.18 3lcbB1 TRP 545 H 0.27 0.27 -0.08 -0.55 7.97 7.89 3lcbB1 TRP 545 HA -0.46 0.08 0.44 -0.75 4.62 3.93 3lcbB1 TRP 545 HB2 -1.12 0.02 0.11 -0.04 3.23 2.20 3lcbB1 TRP 545 HB3 -1.65 0.03 -0.00 -0.04 3.23 1.57 3lcbB1 TRP 545 HD1 -0.01 0.23 0.03 -0.04 7.22 7.43 3lcbB1 TRP 545 HE1 0.18 0.36 0.01 -0.04 10.20 10.71 3lcbB1 TRP 545 HE3 0.06 -0.01 -0.01 -0.04 7.59 7.59 3lcbB1 TRP 545 HZ2 0.28 0.03 0.02 -0.04 7.44 7.74 3lcbB1 TRP 545 HZ3 0.31 0.05 0.02 -0.04 7.13 7.46 3lcbB1 TRP 545 HH2 0.02 0.02 -0.01 -0.04 7.19 7.18 3lcbB1 ARG 546 H -0.07 0.48 -0.15 -0.55 8.46 8.17 3lcbB1 ARG 546 HA 0.06 0.04 0.43 -0.75 4.34 4.12 3lcbB1 ARG 546 HB2 0.01 0.14 0.12 -0.04 1.90 2.13 3lcbB1 ARG 546 HB3 0.02 -0.03 -0.01 -0.04 1.80 1.74 3lcbB1 ARG 546 HG2 0.14 -0.02 0.07 -0.04 1.67 1.81 3lcbB1 ARG 546 HG3 0.07 0.17 0.03 -0.04 1.67 1.90 3lcbB1 ARG 546 HD2 0.04 -0.06 -0.05 -0.04 3.22 3.11 3lcbB1 ARG 546 HD3 0.04 -0.02 0.00 -0.04 3.22 3.20 3lcbB1 ALA 547 H -0.09 0.43 -0.16 -0.55 8.40 8.03 3lcbB1 ALA 547 HA -0.07 -0.03 0.41 -0.75 4.34 3.90 3lcbB1 ALA 547 HB3 -0.13 0.05 0.12 -0.04 1.41 1.41 3lcbB1 LEU 548 H -0.30 0.42 -0.30 -0.55 8.37 7.64 3lcbB1 LEU 548 HA -0.17 0.00 0.52 -0.75 4.35 3.94 3lcbB1 LEU 548 HB2 -0.40 0.10 0.19 -0.04 1.64 1.49 3lcbB1 LEU 548 HB3 -0.15 0.05 -0.08 -0.04 1.64 1.41 3lcbB1 LEU 548 HG -0.23 -0.02 0.02 -0.04 1.64 1.36 3lcbB1 LEU 548 HD13 -0.75 0.00 -0.05 -0.04 0.93 0.09 3lcbB1 LEU 548 HD23 -0.44 -0.02 -0.07 -0.04 0.89 0.32 3lcbB1 GLN 549 H -0.02 0.50 -0.02 -0.55 8.47 8.39 3lcbB1 GLN 549 HA 0.07 0.05 0.51 -0.75 4.36 4.23 3lcbB1 GLN 549 HB2 0.13 -0.02 0.01 -0.04 2.15 2.23 3lcbB1 GLN 549 HB3 0.21 0.04 0.06 -0.04 2.02 2.30 3lcbB1 GLN 549 HG2 0.11 0.03 0.18 -0.04 2.40 2.69 3lcbB1 GLN 549 HG3 0.07 -0.04 -0.19 -0.04 2.39 2.19 3lcbB1 GLN 549 HE21 0.11 0.07 0.08 -0.04 6.97 7.18 3lcbB1 GLN 549 HE22 0.12 -0.08 0.04 -0.04 7.69 7.73 3lcbB1 ASN 550 H -0.01 0.62 -0.07 -0.55 8.53 8.53 3lcbB1 ASN 550 HA 0.01 0.03 0.58 -0.75 4.76 4.62 3lcbB1 ASN 550 HB2 -0.03 0.13 0.15 -0.04 2.88 3.08 3lcbB1 ASN 550 HB3 -0.02 -0.05 0.00 -0.04 2.79 2.69 3lcbB1 ASN 550 HD21 0.00 -0.05 -0.05 -0.04 7.03 6.89 3lcbB1 ASN 550 HD22 -0.02 -0.02 -0.04 -0.04 7.74 7.63 3lcbB1 ARG 551 H -0.05 0.47 -0.12 -0.55 8.46 8.20 3lcbB1 ARG 551 HA -0.08 -0.02 0.38 -0.75 4.34 3.88 3lcbB1 ARG 551 HB2 -0.06 0.23 0.19 -0.04 1.90 2.23 3lcbB1 ARG 551 HB3 -0.20 -0.05 0.01 -0.04 1.80 1.52 3lcbB1 ARG 551 HG2 -0.15 -0.08 0.08 -0.04 1.67 1.48 3lcbB1 ARG 551 HG3 -0.15 0.13 0.09 -0.04 1.67 1.71 3lcbB1 ARG 551 HD2 -0.21 -0.05 -0.00 -0.04 3.22 2.92 3lcbB1 ARG 551 HD3 -0.37 0.01 -0.00 -0.04 3.22 2.81 3lcbB1 ILE 552 H 0.03 0.40 -0.22 -0.55 8.25 7.92 3lcbB1 ILE 552 HA 0.10 0.14 0.62 -0.75 4.18 4.29 3lcbB1 ILE 552 HB 0.06 0.07 0.20 -0.04 1.89 2.18 3lcbB1 ILE 552 HG12 0.07 0.03 0.15 -0.04 1.49 1.70 3lcbB1 ILE 552 HG13 0.07 0.05 0.17 -0.04 1.21 1.46 3lcbB1 ILE 552 HG23 0.04 -0.04 -0.03 -0.04 0.93 0.87 3lcbB1 ILE 552 HD13 0.08 -0.01 0.04 -0.04 0.88 0.94 3lcbB1 ARG 553 H 0.03 0.61 -0.03 -0.55 8.46 8.52 3lcbB1 ARG 553 HA 0.03 0.03 0.51 -0.75 4.34 4.15 3lcbB1 ARG 553 HB2 0.02 0.04 0.22 -0.04 1.90 2.13 3lcbB1 ARG 553 HB3 0.02 -0.08 0.10 -0.04 1.80 1.80 3lcbB1 ARG 553 HG2 0.02 -0.06 0.05 -0.04 1.67 1.64 3lcbB1 ARG 553 HG3 0.03 0.16 0.08 -0.04 1.67 1.90 3lcbB1 ARG 553 HD2 0.01 -0.05 0.04 -0.04 3.22 3.18 3lcbB1 ARG 553 HD3 0.01 -0.00 0.04 -0.04 3.22 3.23 3lcbB1 GLU 554 H 0.03 0.69 -0.17 -0.55 8.60 8.61 3lcbB1 GLU 554 HA 0.02 0.03 0.66 -0.75 4.29 4.25 3lcbB1 GLU 554 HB2 0.01 0.09 0.07 -0.04 2.09 2.22 3lcbB1 GLU 554 HB3 0.01 -0.08 0.13 -0.04 1.99 2.01 3lcbB1 GLU 554 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.25 3lcbB1 GLU 554 HG3 0.00 0.01 -0.02 -0.04 2.34 2.28 3lcbB1 GLY 555 H 0.07 0.34 -0.66 -0.55 8.43 7.64 3lcbB1 GLY 555 HA2 0.13 0.07 0.28 -0.51 4.01 3.98 3lcbB1 GLY 555 HA3 0.05 -0.04 0.32 -0.51 4.01 3.83 3lcbB1 HIS 556 H 0.18 0.44 0.16 -0.55 8.41 8.65 3lcbB1 HIS 556 HA 0.07 0.09 0.92 -0.75 4.63 4.95 3lcbB1 HIS 556 HB2 0.02 -0.03 -0.01 -0.04 3.26 3.20 3lcbB1 HIS 556 HB3 0.01 0.20 0.03 -0.04 3.20 3.40 3lcbB1 HIS 556 HD2 -0.02 0.03 -0.31 -0.04 6.97 6.63 3lcbB1 HIS 556 HE1 -0.03 -0.07 -0.06 -0.04 7.75 7.55 3lcbB1 VAL 557 H -0.30 0.17 0.15 -0.55 8.24 7.71 3lcbB1 VAL 557 HA -0.21 0.21 0.88 -0.75 4.13 4.26 3lcbB1 VAL 557 HB -0.26 -0.04 0.12 -0.04 2.12 1.89 3lcbB1 VAL 557 HG13 -0.21 0.01 -0.10 -0.04 0.97 0.62 3lcbB1 VAL 557 HG23 0.13 0.02 -0.14 -0.04 0.95 0.91 3lcbB1 GLU 558 H -0.23 0.26 0.08 -0.55 8.60 8.16 3lcbB1 GLU 558 HA -0.25 0.00 0.43 -0.75 4.29 3.72 3lcbB1 GLU 558 HB2 0.05 0.06 0.05 -0.04 2.09 2.21 3lcbB1 GLU 558 HB3 -0.09 0.02 0.01 -0.04 1.99 1.89 3lcbB1 GLU 558 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.25 3lcbB1 GLU 558 HG3 -0.07 0.15 -0.11 -0.04 2.34 2.28 3lcbB1 ASP 559 H -0.18 0.08 0.19 -0.55 8.40 7.95 3lcbB1 ASP 559 HA -0.34 -0.00 0.40 -0.75 4.63 3.94 3lcbB1 ASP 559 HB2 -0.25 -0.04 0.11 -0.04 2.71 2.49 3lcbB1 ASP 559 HB3 -0.55 0.03 -0.03 -0.04 2.70 2.11 3lcbB1 VAL 560 H -0.35 0.10 0.20 -0.55 8.24 7.64 3lcbB1 VAL 560 HA -0.36 0.19 0.86 -0.75 4.13 4.07 3lcbB1 VAL 560 HB -0.19 -0.08 -0.00 -0.04 2.12 1.81 3lcbB1 VAL 560 HG13 -0.16 -0.00 -0.10 -0.04 0.97 0.67 3lcbB1 VAL 560 HG23 -0.19 0.02 -0.03 -0.04 0.95 0.71 3lcbB1 TYR 561 H -0.23 0.26 0.08 -0.55 8.29 7.85 3lcbB1 TYR 561 HA -0.42 0.14 0.89 -0.75 4.56 4.42 3lcbB1 TYR 561 HB2 -0.34 0.07 0.11 -0.04 3.06 2.86 3lcbB1 TYR 561 HB3 -1.10 -0.03 -0.06 -0.04 2.98 1.75 3lcbB1 TYR 561 HD2 -0.16 0.00 -0.07 -0.04 7.15 6.87 3lcbB1 TYR 561 HE2 -0.20 0.00 -0.09 -0.04 6.85 6.52 3lcbB1 ALA 562 H -0.14 0.18 -0.03 -0.55 8.40 7.86 3lcbB1 ALA 562 HA -0.09 0.17 0.44 -0.75 4.34 4.11 3lcbB1 ALA 562 HB3 0.03 0.01 0.03 -0.04 1.41 1.45 3lcbB1 TYR 563 H -0.39 0.36 -0.96 -0.55 8.29 6.76 3lcbB1 TYR 563 HA 0.01 0.08 0.46 -0.75 4.56 4.36 3lcbB1 TYR 563 HB2 0.01 -0.02 -0.03 -0.04 3.06 2.98 3lcbB1 TYR 563 HB3 0.06 0.08 -0.09 -0.04 2.98 2.99 3lcbB1 TYR 563 HD2 0.13 0.14 -0.43 -0.04 7.15 6.94 3lcbB1 TYR 563 HE2 0.05 0.03 -0.16 -0.04 6.85 6.73 3lcbB1 ARG 564 H 0.12 0.09 0.09 -0.55 8.46 8.21 3lcbB1 ARG 564 HA 0.02 0.17 0.57 -0.75 4.34 4.35 3lcbB1 ARG 564 HB2 0.02 -0.09 0.04 -0.04 1.90 1.83 3lcbB1 ARG 564 HB3 0.02 0.10 0.10 -0.04 1.80 1.98 3lcbB1 ARG 564 HG2 0.06 -0.00 0.13 -0.04 1.67 1.82 3lcbB1 ARG 564 HG3 0.04 -0.09 0.06 -0.04 1.67 1.64 3lcbB1 ARG 564 HD2 0.02 0.02 0.01 -0.04 3.22 3.24 3lcbB1 ARG 564 HD3 0.02 0.01 -0.00 -0.04 3.22 3.20 3lcbB1 ARG 565 H -0.02 0.19 0.17 -0.55 8.46 8.25 3lcbB1 ARG 565 HA -0.14 0.10 0.24 -0.75 4.34 3.78 3lcbB1 ARG 565 HB2 -0.06 0.03 -0.02 -0.04 1.90 1.81 3lcbB1 ARG 565 HB3 -0.13 0.05 0.11 -0.04 1.80 1.79 3lcbB1 ARG 565 HG2 -0.02 -0.10 0.17 -0.04 1.67 1.68 3lcbB1 ARG 565 HG3 -0.02 0.03 0.06 -0.04 1.67 1.70 3lcbB1 ARG 565 HD2 -0.04 0.02 0.04 -0.04 3.22 3.20 3lcbB1 ARG 565 HD3 0.02 0.04 0.07 -0.04 3.22 3.31 3lcbB1 ARG 566 H -0.02 -0.04 -0.41 -0.55 8.46 7.43 3lcbB1 ARG 566 HA -0.04 0.23 0.57 -0.75 4.34 4.34 3lcbB1 ARG 566 HB2 -0.02 0.06 0.06 -0.04 1.90 1.96 3lcbB1 ARG 566 HB3 -0.02 -0.08 0.04 -0.04 1.80 1.70 3lcbB1 ARG 566 HG2 -0.00 -0.12 -0.08 -0.04 1.67 1.43 3lcbB1 ARG 566 HG3 -0.01 0.09 -0.34 -0.04 1.67 1.36 3lcbB1 ARG 566 HD2 -0.01 0.02 -0.06 -0.04 3.22 3.13 3lcbB1 ARG 566 HD3 -0.01 0.02 -0.03 -0.04 3.22 3.16 3lcbB1 GLN 567 H -0.00 0.18 -0.18 -0.55 8.47 7.93 3lcbB1 GLN 567 HA -0.05 0.06 0.40 -0.75 4.36 4.02 3lcbB1 GLN 567 HB2 0.01 0.14 0.02 -0.04 2.15 2.28 3lcbB1 GLN 567 HB3 -0.15 -0.02 -0.05 -0.04 2.02 1.76 3lcbB1 GLN 567 HG2 0.01 -0.09 0.03 -0.04 2.40 2.32 3lcbB1 GLN 567 HG3 0.02 -0.07 0.03 -0.04 2.39 2.33 3lcbB1 GLN 567 HE21 -0.01 0.03 -0.01 -0.04 6.97 6.94 3lcbB1 GLN 567 HE22 0.00 -0.05 -0.02 -0.04 7.69 7.58 3lcbB1 ARG 568 H -0.08 0.08 -0.55 -0.55 8.46 7.35 3lcbB1 ARG 568 HA -0.31 0.04 0.36 -0.75 4.34 3.67 3lcbB1 ARG 568 HB2 -0.14 -0.08 0.02 -0.04 1.90 1.65 3lcbB1 ARG 568 HB3 -0.14 0.23 0.06 -0.04 1.80 1.91 3lcbB1 ARG 568 HG2 -0.14 -0.08 -0.05 -0.04 1.67 1.36 3lcbB1 ARG 568 HG3 -0.13 0.08 0.07 -0.04 1.67 1.64 3lcbB1 ARG 568 HD2 -0.36 -0.03 -0.05 -0.04 3.22 2.73 3lcbB1 ARG 568 HD3 -0.53 -0.01 -0.03 -0.04 3.22 2.61 3lcbB1 PHE 569 H -0.27 0.64 0.34 -0.55 8.34 8.49 3lcbB1 PHE 569 HA -0.26 0.09 0.06 -0.75 4.62 3.76 3lcbB1 PHE 569 HB2 -0.37 0.08 0.14 -0.04 3.15 2.96 3lcbB1 PHE 569 HB3 -1.19 -0.10 0.06 -0.04 3.06 1.78 3lcbB1 PHE 569 HD2 -0.16 0.16 -0.08 -0.04 7.28 7.16 3lcbB1 PHE 569 HE2 0.03 0.02 -0.19 -0.04 7.38 7.21 3lcbB1 PHE 569 HZ -0.02 -0.03 -0.33 -0.04 7.32 6.90 3lcbB1 SER 570 H -0.07 0.08 -0.31 -0.55 8.46 7.61 3lcbB1 SER 570 HA -0.03 0.02 0.80 -0.75 4.49 4.52 3lcbB1 SER 570 HB2 -0.03 -0.05 0.06 -0.04 3.95 3.90 3lcbB1 SER 570 HB3 -0.05 -0.05 0.08 -0.04 3.93 3.87 3lcbB1 VAL 571 H 0.00 0.09 0.07 -0.55 8.24 7.85 3lcbB1 VAL 571 HA -0.01 0.06 0.44 -0.75 4.13 3.87 3lcbB1 VAL 571 HB -0.02 0.41 -0.26 -0.04 2.12 2.21 3lcbB1 VAL 571 HG13 0.03 -0.01 -0.24 -0.04 0.97 0.71 3lcbB1 VAL 571 HG23 -0.01 -0.06 0.01 -0.04 0.95 0.86