============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. TYR 2 0.840 29.766 -41.300 27.004 -99.200 -91.000 PHE 11 1.000 39.990 -36.114 9.350 -99.200 -91.000 HIS 22 0.900 50.065 -57.243 11.590 -99.200 -91.000 TRP 28 1.040 47.561 -48.628 5.357 -99.200 -91.000 TRP6 28 1.020 45.627 -49.350 6.531 -99.200 -91.000 HIS 30 0.900 54.192 -45.401 7.467 -99.200 -91.000 HIS 33 0.900 46.617 -38.340 -1.816 -99.200 -91.000 PHE 35 1.000 51.018 -41.421 7.492 -99.200 -91.000 PHE 37 1.000 41.293 -36.545 3.413 -99.200 -91.000 TYR 44 0.840 39.164 -24.873 7.331 -99.200 -91.000 PHE 62 1.000 46.763 -38.925 18.637 -99.200 -91.000 TYR 67 0.840 51.474 -39.279 21.371 -99.200 -91.000 TYR 98 0.840 41.644 -34.323 29.723 -99.200 -91.000 HIS 114 0.900 38.123 -27.232 21.966 -99.200 -91.000 PHE 118 1.000 39.112 -32.295 13.259 -99.200 -91.000 PHE 124 1.000 40.957 -51.171 23.795 -99.200 -91.000 TYR 126 0.840 38.800 -44.645 15.284 -99.200 -91.000 TYR 139 0.840 36.272 -34.872 7.283 -99.200 -91.000 TYR 147 0.840 47.198 -53.669 3.108 -99.200 -91.000 TYR 152 0.840 39.552 -56.825 12.579 -99.200 -91.000 PHE 153 1.000 35.852 -46.622 11.967 -99.200 -91.000 PHE 160 1.000 27.491 -41.502 11.691 -99.200 -91.000 PHE 169 1.000 43.493 -38.821 -5.289 -99.200 -91.000 PHE 173 1.000 51.325 -49.051 -0.754 -99.200 -91.000 TYR 176 0.840 45.088 -43.574 -1.791 -99.200 -91.000 PHE 178 1.000 42.012 -38.993 0.539 -99.200 -91.000 TYR 181 0.840 30.716 -43.729 5.815 -99.200 -91.000 PHE 190 1.000 14.234 -14.303 -9.049 -99.200 -91.000 TYR 207 0.840 14.242 -42.317 -13.416 -99.200 -91.000 HIS 218 0.900 34.489 -43.383 -8.038 -99.200 -91.000 PHE 221 1.000 29.204 -39.872 -7.465 -99.200 -91.000 TYR 223 0.840 27.670 -45.841 -16.696 -99.200 -91.000 HIS 233 0.900 16.226 -33.782 -17.903 -99.200 -91.000 TYR 246 0.840 12.701 -44.116 -22.007 -99.200 -91.000 PHE 249 1.000 24.253 -35.722 -31.189 -99.200 -91.000 TYR 251 0.840 24.865 -37.035 -22.176 -99.200 -91.000 PHE 255 1.000 36.060 -42.247 -17.313 -99.200 -91.000 PHE 261 1.000 40.865 -50.663 -16.103 -99.200 -91.000 TRP 280 1.040 38.035 -60.979 -31.948 -99.200 -91.000 TRP6 280 1.020 36.188 -59.550 -32.353 -99.200 -91.000 PHE 281 1.000 37.648 -54.510 -30.493 -99.200 -91.000 TRP 299 1.040 32.018 -58.091 -30.570 -99.200 -91.000 TRP6 299 1.020 31.010 -56.578 -32.093 -99.200 -91.000 PHE 307 1.000 22.692 -58.439 -36.661 -99.200 -91.000 PHE 313 1.000 25.741 -57.908 -43.973 -99.200 -91.000 HIS 319 0.900 29.139 -67.028 -34.446 -99.200 -91.000 TYR 325 0.840 34.596 -51.970 -33.473 -99.200 -91.000 PHE 327 1.000 39.843 -55.665 -43.637 -99.200 -91.000 TRP 329 1.040 41.169 -50.645 -34.381 -99.200 -91.000 TRP6 329 1.020 41.572 -51.191 -32.110 -99.200 -91.000 HIS 331 0.900 45.540 -56.584 -42.253 -99.200 -91.000 PHE 332 1.000 40.581 -46.820 -43.912 -99.200 -91.000 TYR 336 0.840 36.177 -59.096 -44.337 -99.200 -91.000 HIS 340 0.900 37.473 -68.846 -42.438 -99.200 -91.000 TYR 343 0.840 41.770 -59.921 -45.229 -99.200 -91.000 TRP 372 1.040 31.805 -43.927 -40.589 -99.200 -91.000 TRP6 372 1.020 30.168 -45.241 -39.478 -99.200 -91.000 HIS 386 0.900 34.996 -49.547 -30.055 -99.200 -91.000 PHE 388 1.000 38.546 -39.747 -35.727 -99.200 -91.000 PHE 389 1.000 41.833 -45.940 -31.430 -99.200 -91.000 PHE 391 1.000 46.364 -43.701 -28.857 -99.200 -91.000 TYR 392 0.840 47.661 -33.364 -26.223 -99.200 -91.000 HIS 403 0.900 32.037 -39.512 -32.731 -99.200 -91.000 PHE 415 1.000 31.981 -55.696 -21.699 -99.200 -91.000 TYR 420 0.840 38.613 -47.270 -27.499 -99.200 -91.000 PHE 438 1.000 38.446 -43.346 -23.075 -99.200 -91.000 HIS 440 0.900 33.423 -43.349 -23.762 -99.200 -91.000 HIS 446 0.900 21.575 -46.018 -27.698 -99.200 -91.000 TYR 448 0.840 19.175 -50.784 -26.813 -99.200 -91.000 HIS 451 0.900 19.881 -52.724 -21.282 -99.200 -91.000 HIS 464 0.900 32.157 -50.698 -3.198 -99.200 -91.000 PHE 466 1.000 36.421 -45.604 -11.576 -99.200 -91.000 PHE 481 1.000 50.837 -54.942 -23.387 -99.200 -91.000 TYR 491 0.840 35.726 -54.581 -10.338 -99.200 -91.000 HIS 494 0.900 27.523 -51.107 -4.785 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k2hB1 SER 4 HA -0.13 -0.01 0.21 -0.75 4.49 3.81 3k2hB1 SER 4 HB2 -0.08 -0.03 0.05 -0.04 3.95 3.85 3k2hB1 SER 4 HB3 -0.34 -0.02 -0.06 -0.04 3.93 3.47 3k2hB1 TYR 5 H 0.08 0.18 0.03 -0.55 8.29 8.03 3k2hB1 TYR 5 HA -0.00 0.21 0.86 -0.75 4.56 4.88 3k2hB1 TYR 5 HB2 0.01 0.05 0.07 -0.04 3.06 3.14 3k2hB1 TYR 5 HB3 0.01 -0.01 0.12 -0.04 2.98 3.06 3k2hB1 TYR 5 HD2 0.01 0.04 -0.02 -0.04 7.15 7.13 3k2hB1 TYR 5 HE2 0.01 -0.09 -0.05 -0.04 6.85 6.68 3k2hB1 GLU 6 H 0.02 0.18 -0.33 -0.55 8.60 7.93 3k2hB1 GLU 6 HA 0.05 -0.01 0.46 -0.75 4.29 4.03 3k2hB1 GLU 6 HB2 0.01 0.03 0.07 -0.04 2.09 2.16 3k2hB1 GLU 6 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 3k2hB1 GLU 6 HG2 0.01 0.04 -0.08 -0.04 2.34 2.27 3k2hB1 GLU 6 HG3 0.02 -0.03 0.05 -0.04 2.34 2.34 3k2hB1 GLY 7 H 0.03 0.09 0.19 -0.55 8.43 8.20 3k2hB1 GLY 7 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 3k2hB1 GLY 7 HA3 0.02 0.10 0.33 -0.51 4.01 3.96 3k2hB1 CYS 8 H 0.07 0.35 -0.18 -0.55 8.50 8.19 3k2hB1 CYS 8 HA 0.04 0.22 0.75 -0.75 4.58 4.84 3k2hB1 CYS 8 HB2 0.19 0.07 0.03 -0.04 2.97 3.22 3k2hB1 CYS 8 HB3 0.12 -0.10 0.09 -0.04 2.97 3.04 3k2hB1 GLY 9 H 0.03 0.01 -0.20 -0.55 8.43 7.72 3k2hB1 GLY 9 HA2 0.02 0.17 0.71 -0.51 4.01 4.39 3k2hB1 GLY 9 HA3 0.02 -0.03 0.29 -0.51 4.01 3.79 3k2hB1 ASP 10 H 0.03 0.09 0.05 -0.55 8.40 8.03 3k2hB1 ASP 10 HA 0.05 -0.13 0.33 -0.75 4.63 4.13 3k2hB1 ASP 10 HB2 0.02 -0.07 -0.08 -0.04 2.71 2.55 3k2hB1 ASP 10 HB3 0.02 0.18 0.18 -0.04 2.70 3.03 3k2hB1 LEU 11 H 0.05 0.79 0.14 -0.55 8.37 8.81 3k2hB1 LEU 11 HA 0.01 0.22 0.85 -0.75 4.35 4.69 3k2hB1 LEU 11 HB2 0.06 -0.11 -0.06 -0.04 1.64 1.49 3k2hB1 LEU 11 HB3 0.05 -0.07 -0.10 -0.04 1.64 1.47 3k2hB1 LEU 11 HG 0.02 0.16 -0.15 -0.04 1.64 1.63 3k2hB1 LEU 11 HD13 0.01 -0.06 -0.06 -0.04 0.93 0.78 3k2hB1 LEU 11 HD23 -0.01 0.02 -0.20 -0.04 0.89 0.66 3k2hB1 THR 12 H 0.04 0.50 0.22 -0.55 8.28 8.50 3k2hB1 THR 12 HA 0.20 0.17 0.95 -0.75 4.39 4.95 3k2hB1 THR 12 HB 0.18 0.11 0.20 -0.04 4.32 4.77 3k2hB1 THR 12 HG23 0.59 0.00 -0.20 -0.04 1.22 1.57 3k2hB1 ILE 13 H 0.20 0.47 0.41 -0.55 8.25 8.78 3k2hB1 ILE 13 HA 0.35 0.15 0.74 -0.75 4.18 4.67 3k2hB1 ILE 13 HB 0.10 -0.01 0.19 -0.04 1.89 2.14 3k2hB1 ILE 13 HG12 0.45 -0.02 -0.04 -0.04 1.49 1.84 3k2hB1 ILE 13 HG13 0.22 -0.00 -0.14 -0.04 1.21 1.25 3k2hB1 ILE 13 HG23 0.09 0.01 -0.20 -0.04 0.93 0.80 3k2hB1 ILE 13 HD13 0.16 -0.01 -0.06 -0.04 0.88 0.92 3k2hB1 PHE 14 H 0.47 0.57 0.39 -0.55 8.34 9.21 3k2hB1 PHE 14 HA 0.20 0.28 0.74 -0.75 4.62 5.08 3k2hB1 PHE 14 HB2 0.08 0.01 0.15 -0.04 3.15 3.35 3k2hB1 PHE 14 HB3 0.11 -0.05 -0.02 -0.04 3.06 3.07 3k2hB1 PHE 14 HD2 0.08 -0.04 -0.14 -0.04 7.28 7.15 3k2hB1 PHE 14 HE2 -0.63 0.02 -0.12 -0.04 7.38 6.61 3k2hB1 PHE 14 HZ -1.21 0.01 -0.04 -0.04 7.32 6.05 3k2hB1 VAL 15 H 0.09 0.64 0.33 -0.55 8.24 8.75 3k2hB1 VAL 15 HA 0.21 0.10 0.63 -0.75 4.13 4.32 3k2hB1 VAL 15 HB -0.38 0.03 -0.21 -0.04 2.12 1.53 3k2hB1 VAL 15 HG13 -0.97 -0.00 -0.17 -0.04 0.97 -0.21 3k2hB1 VAL 15 HG23 -0.17 0.01 -0.07 -0.04 0.95 0.68 3k2hB1 ALA 16 H 0.22 0.22 0.19 -0.55 8.40 8.48 3k2hB1 ALA 16 HA 0.04 0.17 0.93 -0.75 4.34 4.73 3k2hB1 ALA 16 HB3 0.29 -0.00 0.07 -0.04 1.41 1.73 3k2hB1 VAL 17 H -0.10 0.64 0.29 -0.55 8.24 8.51 3k2hB1 VAL 17 HA 0.21 0.21 0.92 -0.75 4.13 4.71 3k2hB1 VAL 17 HB -0.06 0.01 0.04 -0.04 2.12 2.07 3k2hB1 VAL 17 HG13 0.10 0.10 -0.15 -0.04 0.97 0.98 3k2hB1 VAL 17 HG23 -0.30 -0.02 -0.31 -0.04 0.95 0.29 3k2hB1 ALA 18 H 0.23 0.62 0.23 -0.55 8.40 8.92 3k2hB1 ALA 18 HA -0.12 0.11 0.64 -0.75 4.34 4.22 3k2hB1 ALA 18 HB3 0.30 -0.01 0.19 -0.04 1.41 1.85 3k2hB1 LEU 19 H 0.04 0.52 0.09 -0.55 8.37 8.47 3k2hB1 LEU 19 HA 0.01 0.15 0.32 -0.75 4.35 4.08 3k2hB1 LEU 19 HB2 -0.02 0.08 -0.17 -0.04 1.64 1.50 3k2hB1 LEU 19 HB3 -0.00 -0.16 -0.29 -0.04 1.64 1.15 3k2hB1 LEU 19 HG -0.02 -0.02 -0.18 -0.04 1.64 1.38 3k2hB1 LEU 19 HD13 -0.07 0.02 -0.00 -0.04 0.93 0.84 3k2hB1 LEU 19 HD23 -0.07 0.02 -0.12 -0.04 0.89 0.69 3k2hB1 ASN 20 H 0.08 0.01 -0.14 -0.55 8.53 7.94 3k2hB1 ASN 20 HA 0.09 0.23 0.71 -0.75 4.76 5.03 3k2hB1 ASN 20 HB2 0.15 0.05 0.17 -0.04 2.88 3.21 3k2hB1 ASN 20 HB3 0.07 0.01 0.08 -0.04 2.79 2.91 3k2hB1 ASN 20 HD21 0.07 0.57 0.09 -0.04 7.03 7.73 3k2hB1 ASN 20 HD22 0.09 -0.00 0.01 -0.04 7.74 7.80 3k2hB1 LYS 21 H 0.11 0.53 -0.65 -0.55 8.42 7.86 3k2hB1 LYS 21 HA 0.16 0.15 0.23 -0.75 4.32 4.10 3k2hB1 LYS 21 HB2 0.33 0.07 -0.02 -0.04 1.87 2.20 3k2hB1 LYS 21 HB3 0.25 0.08 0.14 -0.04 1.79 2.22 3k2hB1 LYS 21 HG2 0.13 0.03 -0.08 -0.04 1.46 1.50 3k2hB1 LYS 21 HG3 0.12 -0.01 -0.35 -0.04 1.46 1.19 3k2hB1 LYS 21 HD2 0.11 -0.04 -0.12 -0.04 1.69 1.60 3k2hB1 LYS 21 HD3 0.10 0.05 -0.11 -0.04 1.68 1.68 3k2hB1 LYS 21 HE2 0.06 -0.00 -0.06 -0.04 2.99 2.96 3k2hB1 LYS 21 HE3 0.06 0.04 -0.07 -0.04 2.99 2.98 3k2hB1 VAL 22 H 0.10 -0.03 -0.57 -0.55 8.24 7.19 3k2hB1 VAL 22 HA -0.40 0.11 0.56 -0.75 4.13 3.64 3k2hB1 VAL 22 HB 0.09 -0.10 0.05 -0.04 2.12 2.11 3k2hB1 VAL 22 HG13 -0.01 0.01 -0.24 -0.04 0.97 0.70 3k2hB1 VAL 22 HG23 -0.44 0.04 -0.09 -0.04 0.95 0.43 3k2hB1 ILE 23 H 0.00 0.66 0.52 -0.55 8.25 8.89 3k2hB1 ILE 23 HA 0.30 0.24 0.94 -0.75 4.18 4.90 3k2hB1 ILE 23 HB 0.23 0.02 0.17 -0.04 1.89 2.27 3k2hB1 ILE 23 HG12 0.23 -0.03 -0.36 -0.04 1.49 1.28 3k2hB1 ILE 23 HG13 0.17 -0.03 -0.33 -0.04 1.21 0.98 3k2hB1 ILE 23 HG23 0.26 0.07 -0.08 -0.04 0.93 1.13 3k2hB1 ILE 23 HD13 0.46 -0.03 -0.17 -0.04 0.88 1.10 3k2hB1 GLY 24 H -0.04 0.22 0.36 -0.55 8.43 8.43 3k2hB1 GLY 24 HA2 -0.12 0.40 0.80 -0.51 4.01 4.57 3k2hB1 GLY 24 HA3 -0.00 -0.10 0.29 -0.51 4.01 3.69 3k2hB1 HIS 25 H -0.02 0.77 0.18 -0.55 8.41 8.79 3k2hB1 HIS 25 HA -0.03 -0.08 0.83 -0.75 4.63 4.60 3k2hB1 HIS 25 HB2 -0.05 0.17 -0.09 -0.04 3.26 3.25 3k2hB1 HIS 25 HB3 -0.10 0.11 -0.04 -0.04 3.20 3.13 3k2hB1 HIS 25 HD2 -0.03 0.07 -0.11 -0.04 6.97 6.86 3k2hB1 HIS 25 HE1 0.02 -0.02 -0.09 -0.04 7.75 7.62 3k2hB1 LYS 26 H -0.16 0.11 0.08 -0.55 8.42 7.90 3k2hB1 LYS 26 HA -0.13 0.01 0.30 -0.75 4.32 3.74 3k2hB1 LYS 26 HB2 -0.30 0.18 0.02 -0.04 1.87 1.73 3k2hB1 LYS 26 HB3 -0.16 0.03 0.15 -0.04 1.79 1.77 3k2hB1 LYS 26 HG2 -0.22 -0.00 0.01 -0.04 1.46 1.20 3k2hB1 LYS 26 HG3 -0.83 -0.09 -0.14 -0.04 1.46 0.36 3k2hB1 LYS 26 HD2 -0.33 0.05 -0.09 -0.04 1.69 1.28 3k2hB1 LYS 26 HD3 -0.15 0.02 -0.02 -0.04 1.68 1.48 3k2hB1 LYS 26 HE2 -0.07 -0.01 -0.02 -0.04 2.99 2.84 3k2hB1 LYS 26 HE3 -0.12 -0.02 -0.05 -0.04 2.99 2.76 3k2hB1 ASN 27 H -0.04 -0.04 -0.20 -0.55 8.53 7.71 3k2hB1 ASN 27 HA -0.02 -0.10 0.18 -0.75 4.76 4.06 3k2hB1 ASN 27 HB2 -0.04 0.08 -0.22 -0.04 2.88 2.65 3k2hB1 ASN 27 HB3 -0.04 0.10 0.20 -0.04 2.79 3.01 3k2hB1 ASN 27 HD21 -0.01 -0.07 -0.02 -0.04 7.03 6.89 3k2hB1 ASN 27 HD22 -0.02 0.07 -0.09 -0.04 7.74 7.66 3k2hB1 GLN 28 H -0.07 0.19 -0.41 -0.55 8.47 7.63 3k2hB1 GLN 28 HA -0.06 0.19 0.81 -0.75 4.36 4.54 3k2hB1 GLN 28 HB2 -0.06 0.12 -0.03 -0.04 2.15 2.13 3k2hB1 GLN 28 HB3 -0.05 -0.00 0.09 -0.04 2.02 2.02 3k2hB1 GLN 28 HG2 -0.05 0.06 -0.07 -0.04 2.40 2.30 3k2hB1 GLN 28 HG3 -0.07 0.19 -0.32 -0.04 2.39 2.14 3k2hB1 GLN 28 HE21 -0.04 -0.07 -0.02 -0.04 6.97 6.80 3k2hB1 GLN 28 HE22 -0.04 0.03 -0.03 -0.04 7.69 7.61 3k2hB1 ILE 29 H -0.09 0.19 0.15 -0.55 8.25 7.94 3k2hB1 ILE 29 HA -0.48 0.14 0.67 -0.75 4.18 3.76 3k2hB1 ILE 29 HB -0.15 0.01 0.14 -0.04 1.89 1.86 3k2hB1 ILE 29 HG12 -0.15 0.01 0.07 -0.04 1.49 1.38 3k2hB1 ILE 29 HG13 -0.12 -0.03 0.09 -0.04 1.21 1.12 3k2hB1 ILE 29 HG23 -1.00 -0.02 -0.06 -0.04 0.93 -0.19 3k2hB1 ILE 29 HD13 0.00 -0.00 0.05 -0.04 0.88 0.89 3k2hB1 PRO 30 HA -0.15 0.10 0.26 -0.51 4.44 4.14 3k2hB1 PRO 30 HB2 -0.08 -0.03 -0.18 -0.04 2.28 1.95 3k2hB1 PRO 30 HB3 -0.06 0.26 -0.05 -0.04 2.02 2.13 3k2hB1 PRO 30 HG2 -0.27 -0.05 -0.41 -0.04 2.03 1.26 3k2hB1 PRO 30 HG3 -0.20 -0.19 -0.30 -0.04 2.03 1.31 3k2hB1 PRO 30 HD2 -2.36 0.07 0.05 -0.04 3.68 1.40 3k2hB1 PRO 30 HD3 -0.68 0.27 0.16 -0.04 3.65 3.36 3k2hB1 TRP 31 H -1.36 0.04 -0.25 -0.55 7.97 5.85 3k2hB1 TRP 31 HA -0.55 0.18 0.73 -0.75 4.62 4.23 3k2hB1 TRP 31 HB2 -0.38 0.12 -0.04 -0.04 3.23 2.89 3k2hB1 TRP 31 HB3 -1.71 -0.03 -0.07 -0.04 3.23 1.38 3k2hB1 TRP 31 HD1 -0.11 0.24 -0.28 -0.04 7.22 7.03 3k2hB1 TRP 31 HE1 -0.13 -0.07 -0.08 -0.04 10.20 9.89 3k2hB1 TRP 31 HE3 -0.55 0.01 -0.18 -0.04 7.59 6.82 3k2hB1 TRP 31 HZ2 -0.02 -0.03 -0.07 -0.04 7.44 7.28 3k2hB1 TRP 31 HZ3 -0.02 0.05 -0.07 -0.04 7.13 7.04 3k2hB1 TRP 31 HH2 -0.01 0.26 0.04 -0.04 7.19 7.43 3k2hB1 PRO 32 HA -0.18 0.07 0.54 -0.51 4.44 4.36 3k2hB1 PRO 32 HB2 -1.39 -0.00 -0.05 -0.04 2.28 0.79 3k2hB1 PRO 32 HB3 -0.41 0.02 0.08 -0.04 2.02 1.67 3k2hB1 PRO 32 HG2 -0.75 0.02 0.04 -0.04 2.03 1.30 3k2hB1 PRO 32 HG3 -0.26 0.07 0.05 -0.04 2.03 1.84 3k2hB1 PRO 32 HD2 -0.30 0.05 0.13 -0.04 3.68 3.52 3k2hB1 PRO 32 HD3 -0.01 0.19 0.15 -0.04 3.65 3.93 3k2hB1 HIS 33 H -0.05 0.09 0.12 -0.55 8.41 8.03 3k2hB1 HIS 33 HA -0.04 0.06 0.19 -0.75 4.63 4.09 3k2hB1 HIS 33 HB2 0.04 -0.02 0.09 -0.04 3.26 3.33 3k2hB1 HIS 33 HB3 -0.10 -0.04 -0.10 -0.04 3.20 2.92 3k2hB1 HIS 33 HD2 -0.05 0.12 -0.05 -0.04 6.97 6.95 3k2hB1 HIS 33 HE1 0.08 0.03 0.03 -0.04 7.75 7.85 3k2hB1 ILE 34 H -0.19 0.21 0.07 -0.55 8.25 7.79 3k2hB1 ILE 34 HA 0.05 0.18 0.84 -0.75 4.18 4.50 3k2hB1 ILE 34 HB -0.27 -0.04 0.18 -0.04 1.89 1.73 3k2hB1 ILE 34 HG12 -0.11 -0.00 -0.09 -0.04 1.49 1.24 3k2hB1 ILE 34 HG13 0.24 0.21 -0.21 -0.04 1.21 1.41 3k2hB1 ILE 34 HG23 -0.53 -0.06 -0.06 -0.04 0.93 0.24 3k2hB1 ILE 34 HD13 -0.52 0.01 -0.10 -0.04 0.88 0.22 3k2hB1 THR 35 H 0.03 0.30 0.03 -0.55 8.28 8.09 3k2hB1 THR 35 HA -0.07 0.09 0.27 -0.75 4.39 3.93 3k2hB1 THR 35 HB 0.15 0.05 0.03 -0.04 4.32 4.51 3k2hB1 THR 35 HG23 0.17 0.04 -0.03 -0.04 1.22 1.35 3k2hB1 HIS 36 H 0.13 0.10 -0.17 -0.55 8.41 7.92 3k2hB1 HIS 36 HA 0.06 0.10 0.47 -0.75 4.63 4.51 3k2hB1 HIS 36 HB2 0.04 0.06 0.06 -0.04 3.26 3.38 3k2hB1 HIS 36 HB3 0.06 -0.03 -0.01 -0.04 3.20 3.17 3k2hB1 HIS 36 HD2 0.03 -0.04 0.05 -0.04 6.97 6.96 3k2hB1 HIS 36 HE1 -2.11 0.06 -0.07 -0.04 7.75 5.59 3k2hB1 ASP 37 H -0.09 0.15 -0.36 -0.55 8.40 7.55 3k2hB1 ASP 37 HA 0.18 0.07 0.43 -0.75 4.63 4.55 3k2hB1 ASP 37 HB2 -0.22 -0.03 0.04 -0.04 2.71 2.46 3k2hB1 ASP 37 HB3 -0.16 0.13 0.11 -0.04 2.70 2.74 3k2hB1 PHE 38 H -0.04 0.33 -0.10 -0.55 8.34 7.98 3k2hB1 PHE 38 HA 0.05 0.06 0.38 -0.75 4.62 4.35 3k2hB1 PHE 38 HB2 0.05 0.10 0.17 -0.04 3.15 3.42 3k2hB1 PHE 38 HB3 0.01 0.03 0.00 -0.04 3.06 3.06 3k2hB1 PHE 38 HD2 0.02 -0.02 -0.05 -0.04 7.28 7.20 3k2hB1 PHE 38 HE2 -0.17 0.01 -0.03 -0.04 7.38 7.15 3k2hB1 PHE 38 HZ -0.70 0.05 0.00 -0.04 7.32 6.63 3k2hB1 ARG 39 H 0.19 0.50 -0.18 -0.55 8.46 8.42 3k2hB1 ARG 39 HA 0.07 0.00 0.43 -0.75 4.34 4.08 3k2hB1 ARG 39 HB2 0.12 0.00 0.07 -0.04 1.90 2.04 3k2hB1 ARG 39 HB3 0.17 0.00 0.14 -0.04 1.80 2.07 3k2hB1 ARG 39 HG2 0.09 -0.02 -0.04 -0.04 1.67 1.66 3k2hB1 ARG 39 HG3 0.06 0.01 -0.25 -0.04 1.67 1.45 3k2hB1 ARG 39 HD2 0.03 0.02 -0.02 -0.04 3.22 3.20 3k2hB1 ARG 39 HD3 0.01 -0.05 0.07 -0.04 3.22 3.21 3k2hB1 PHE 40 H 0.15 0.53 -0.12 -0.55 8.34 8.34 3k2hB1 PHE 40 HA -0.19 0.03 0.46 -0.75 4.62 4.17 3k2hB1 PHE 40 HB2 -0.63 0.02 0.10 -0.04 3.15 2.59 3k2hB1 PHE 40 HB3 -0.21 0.11 0.18 -0.04 3.06 3.09 3k2hB1 PHE 40 HD2 -0.36 0.02 -0.12 -0.04 7.28 6.77 3k2hB1 PHE 40 HE2 -0.01 0.00 -0.11 -0.04 7.38 7.22 3k2hB1 PHE 40 HZ 0.19 0.02 -0.10 -0.04 7.32 7.39 3k2hB1 LEU 41 H 0.19 0.65 -0.08 -0.55 8.37 8.58 3k2hB1 LEU 41 HA -0.32 0.01 0.41 -0.75 4.35 3.70 3k2hB1 LEU 41 HB2 0.19 -0.03 0.04 -0.04 1.64 1.80 3k2hB1 LEU 41 HB3 0.08 0.13 0.12 -0.04 1.64 1.93 3k2hB1 LEU 41 HG -0.22 0.04 -0.36 -0.04 1.64 1.06 3k2hB1 LEU 41 HD13 -0.19 -0.01 -0.04 -0.04 0.93 0.64 3k2hB1 LEU 41 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 3k2hB1 ARG 42 H -0.06 0.56 -0.15 -0.55 8.46 8.25 3k2hB1 ARG 42 HA -0.17 0.05 0.38 -0.75 4.34 3.85 3k2hB1 ARG 42 HB2 -0.05 0.02 0.10 -0.04 1.90 1.93 3k2hB1 ARG 42 HB3 -0.05 -0.00 0.18 -0.04 1.80 1.89 3k2hB1 ARG 42 HG2 -0.07 0.01 -0.21 -0.04 1.67 1.36 3k2hB1 ARG 42 HG3 -0.06 0.03 -0.01 -0.04 1.67 1.59 3k2hB1 ARG 42 HD2 -0.02 0.01 -0.05 -0.04 3.22 3.12 3k2hB1 ARG 42 HD3 -0.01 -0.05 -0.03 -0.04 3.22 3.09 3k2hB1 ASN 43 H -0.18 0.68 -0.09 -0.55 8.53 8.40 3k2hB1 ASN 43 HA -0.12 0.02 0.33 -0.75 4.76 4.23 3k2hB1 ASN 43 HB2 -0.23 0.06 0.16 -0.04 2.88 2.82 3k2hB1 ASN 43 HB3 -0.16 -0.05 -0.02 -0.04 2.79 2.53 3k2hB1 ASN 43 HD21 -0.00 -0.07 -0.05 -0.04 7.03 6.87 3k2hB1 ASN 43 HD22 -0.04 -0.03 -0.07 -0.04 7.74 7.55 3k2hB1 GLY 44 H -0.53 0.61 -0.15 -0.55 8.43 7.82 3k2hB1 GLY 44 HA2 -0.39 -0.02 0.41 -0.51 4.01 3.50 3k2hB1 GLY 44 HA3 -0.66 0.00 0.29 -0.51 4.01 3.14 3k2hB1 THR 45 H -0.68 0.51 -0.22 -0.55 8.28 7.35 3k2hB1 THR 45 HA -1.53 0.08 0.34 -0.75 4.39 2.53 3k2hB1 THR 45 HB -0.46 -0.04 -0.00 -0.04 4.32 3.78 3k2hB1 THR 45 HG23 -1.34 -0.03 -0.04 -0.04 1.22 -0.23 3k2hB1 THR 46 H -0.23 0.29 -0.23 -0.55 8.28 7.57 3k2hB1 THR 46 HA -0.03 0.14 0.71 -0.75 4.39 4.46 3k2hB1 THR 46 HB -0.03 -0.05 0.05 -0.04 4.32 4.25 3k2hB1 THR 46 HG23 -0.08 0.02 -0.04 -0.04 1.22 1.09 3k2hB1 TYR 47 H 0.03 0.23 -0.26 -0.55 8.29 7.74 3k2hB1 TYR 47 HA -0.02 -0.06 0.16 -0.75 4.56 3.88 3k2hB1 TYR 47 HB2 -0.06 0.06 0.09 -0.04 3.06 3.11 3k2hB1 TYR 47 HB3 -0.02 0.08 0.08 -0.04 2.98 3.08 3k2hB1 TYR 47 HD2 0.03 0.01 -0.10 -0.04 7.15 7.05 3k2hB1 TYR 47 HE2 0.03 -0.04 -0.10 -0.04 6.85 6.71 3k2hB1 ILE 48 H -0.38 0.15 0.14 -0.55 8.25 7.61 3k2hB1 ILE 48 HA -0.35 0.18 0.84 -0.75 4.18 4.10 3k2hB1 ILE 48 HB -0.17 -0.06 0.05 -0.04 1.89 1.67 3k2hB1 ILE 48 HG12 -0.09 0.13 -0.07 -0.04 1.49 1.42 3k2hB1 ILE 48 HG13 -0.06 0.12 -0.02 -0.04 1.21 1.20 3k2hB1 ILE 48 HG23 -0.12 0.02 -0.13 -0.04 0.93 0.67 3k2hB1 ILE 48 HD13 -0.03 -0.01 -0.18 -0.04 0.88 0.62 3k2hB1 PRO 49 HA -0.14 0.13 0.45 -0.51 4.44 4.36 3k2hB1 PRO 49 HB2 -0.05 -0.21 0.05 -0.04 2.28 2.03 3k2hB1 PRO 49 HB3 0.04 0.04 0.11 -0.04 2.02 2.17 3k2hB1 PRO 49 HG2 -0.01 0.05 0.06 -0.04 2.03 2.09 3k2hB1 PRO 49 HG3 0.09 0.08 0.03 -0.04 2.03 2.19 3k2hB1 PRO 49 HD2 -0.17 0.11 0.17 -0.04 3.68 3.74 3k2hB1 PRO 49 HD3 -0.35 0.27 0.01 -0.04 3.65 3.54 3k2hB1 PRO 50 HA -0.02 0.14 0.45 -0.51 4.44 4.51 3k2hB1 PRO 50 HB2 0.02 0.02 0.02 -0.04 2.28 2.30 3k2hB1 PRO 50 HB3 0.03 0.07 0.12 -0.04 2.02 2.19 3k2hB1 PRO 50 HG2 0.05 -0.03 0.13 -0.04 2.03 2.14 3k2hB1 PRO 50 HG3 0.07 0.08 0.10 -0.04 2.03 2.24 3k2hB1 PRO 50 HD2 0.14 0.07 0.25 -0.04 3.68 4.10 3k2hB1 PRO 50 HD3 0.13 0.21 0.19 -0.04 3.65 4.14 3k2hB1 GLU 51 H 0.01 0.12 -0.13 -0.55 8.60 8.05 3k2hB1 GLU 51 HA -0.00 0.06 0.29 -0.75 4.29 3.88 3k2hB1 VAL 52 H -0.03 0.08 -0.24 -0.55 8.24 7.50 3k2hB1 VAL 52 HA -0.03 0.03 0.39 -0.75 4.13 3.76 3k2hB1 VAL 52 HB -0.07 0.08 0.06 -0.04 2.12 2.15 3k2hB1 VAL 52 HG13 -0.05 0.02 -0.08 -0.04 0.97 0.82 3k2hB1 VAL 52 HG23 -0.03 -0.01 0.02 -0.04 0.95 0.89 3k2hB1 LEU 53 H -0.05 0.41 -0.36 -0.55 8.37 7.82 3k2hB1 LEU 53 HA -0.04 0.19 0.21 -0.75 4.35 3.95 3k2hB1 LEU 53 HB2 -0.08 0.04 -0.06 -0.04 1.64 1.50 3k2hB1 LEU 53 HB3 -0.04 0.01 0.05 -0.04 1.64 1.61 3k2hB1 LEU 53 HG -0.02 -0.06 -0.15 -0.04 1.64 1.37 3k2hB1 LEU 53 HD13 -0.03 0.04 0.06 -0.04 0.93 0.96 3k2hB1 LEU 53 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.77 3k2hB1 SER 54 H -0.02 0.47 -0.11 -0.55 8.46 8.25 3k2hB1 SER 54 HA -0.01 0.05 0.48 -0.75 4.49 4.26 3k2hB1 SER 54 HB2 -0.00 -0.06 0.06 -0.04 3.95 3.90 3k2hB1 SER 54 HB3 -0.00 -0.00 0.07 -0.04 3.93 3.95 3k2hB1 LYS 55 H -0.01 0.31 -0.24 -0.55 8.42 7.92 3k2hB1 LYS 55 HA -0.01 0.02 0.52 -0.75 4.32 4.10 3k2hB1 ASN 56 H -0.02 0.59 -0.04 -0.55 8.53 8.51 3k2hB1 ASN 56 HA -0.01 0.00 0.81 -0.75 4.76 4.80 3k2hB1 ASN 56 HB2 -0.02 0.00 -0.02 -0.04 2.88 2.80 3k2hB1 ASN 56 HB3 -0.02 0.00 0.16 -0.04 2.79 2.89 3k2hB1 ASN 56 HD21 -0.01 0.02 -0.11 -0.04 7.03 6.89 3k2hB1 ASN 56 HD22 -0.02 0.02 -0.05 -0.04 7.74 7.65 3k2hB1 PRO 57 HA -0.02 0.28 0.51 -0.51 4.44 4.71 3k2hB1 PRO 57 HB2 -0.01 -0.05 -0.01 -0.04 2.28 2.17 3k2hB1 PRO 57 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 3k2hB1 PRO 57 HG2 -0.00 -0.05 0.04 -0.04 2.03 1.97 3k2hB1 PRO 57 HG3 -0.01 0.16 0.03 -0.04 2.03 2.16 3k2hB1 PRO 57 HD2 -0.01 -0.01 0.11 -0.04 3.68 3.73 3k2hB1 PRO 57 HD3 -0.01 0.31 -0.10 -0.04 3.65 3.81 3k2hB1 ASP 58 H -0.01 0.03 -0.28 -0.55 8.40 7.60 3k2hB1 ASP 58 HA -0.00 0.19 0.76 -0.75 4.63 4.83 3k2hB1 ASP 58 HB2 -0.00 -0.03 -0.02 -0.04 2.71 2.62 3k2hB1 ASP 58 HB3 0.00 0.01 0.09 -0.04 2.70 2.76 3k2hB1 ILE 59 H -0.01 0.31 -0.37 -0.55 8.25 7.62 3k2hB1 ILE 59 HA 0.00 0.03 0.29 -0.75 4.18 3.75 3k2hB1 ILE 59 HB -0.02 -0.07 0.04 -0.04 1.89 1.79 3k2hB1 ILE 59 HG12 -0.01 0.01 -0.22 -0.04 1.49 1.23 3k2hB1 ILE 59 HG13 -0.01 0.00 -0.15 -0.04 1.21 1.01 3k2hB1 ILE 59 HG23 -0.03 0.03 -0.11 -0.04 0.93 0.78 3k2hB1 ILE 59 HD13 -0.05 0.04 -0.21 -0.04 0.88 0.61 3k2hB1 GLN 60 H 0.03 0.18 0.22 -0.55 8.47 8.35 3k2hB1 GLN 60 HA 0.01 0.24 0.85 -0.75 4.36 4.71 3k2hB1 GLN 60 HB2 0.03 -0.10 0.03 -0.04 2.15 2.07 3k2hB1 GLN 60 HB3 0.03 0.22 0.23 -0.04 2.02 2.46 3k2hB1 GLN 60 HG2 0.01 0.11 -0.18 -0.04 2.40 2.30 3k2hB1 GLN 60 HG3 0.01 0.09 -0.26 -0.04 2.39 2.19 3k2hB1 GLN 60 HE21 0.01 -0.12 -0.09 -0.04 6.97 6.73 3k2hB1 GLN 60 HE22 0.01 0.05 -0.06 -0.04 7.69 7.64 3k2hB1 ASN 61 H 0.06 0.31 0.26 -0.55 8.53 8.61 3k2hB1 ASN 61 HA 0.09 -0.19 0.99 -0.75 4.76 4.90 3k2hB1 ASN 61 HB2 0.18 0.16 0.19 -0.04 2.88 3.37 3k2hB1 ASN 61 HB3 0.30 0.09 0.23 -0.04 2.79 3.37 3k2hB1 ASN 61 HD21 0.17 0.44 -0.39 -0.04 7.03 7.21 3k2hB1 ASN 61 HD22 0.17 0.42 -0.18 -0.04 7.74 8.10 3k2hB1 VAL 62 H 0.00 0.80 0.48 -0.55 8.24 8.97 3k2hB1 VAL 62 HA -0.02 0.22 1.04 -0.75 4.13 4.63 3k2hB1 VAL 62 HB -0.20 -0.09 0.16 -0.04 2.12 1.96 3k2hB1 VAL 62 HG13 -0.12 -0.02 -0.22 -0.04 0.97 0.57 3k2hB1 VAL 62 HG23 -0.26 -0.00 -0.11 -0.04 0.95 0.54 3k2hB1 VAL 63 H -0.05 0.84 0.36 -0.55 8.24 8.85 3k2hB1 VAL 63 HA -0.06 0.20 0.92 -0.75 4.13 4.43 3k2hB1 VAL 63 HB -0.46 -0.07 -0.00 -0.04 2.12 1.55 3k2hB1 VAL 63 HG13 -0.03 0.01 -0.13 -0.04 0.97 0.77 3k2hB1 VAL 63 HG23 -0.05 -0.00 0.00 -0.04 0.95 0.85 3k2hB1 ILE 64 H -0.21 0.50 0.32 -0.55 8.25 8.30 3k2hB1 ILE 64 HA -0.20 0.33 1.08 -0.75 4.18 4.63 3k2hB1 ILE 64 HB -0.07 -0.09 0.10 -0.04 1.89 1.78 3k2hB1 ILE 64 HG12 -0.09 0.07 -0.28 -0.04 1.49 1.15 3k2hB1 ILE 64 HG13 -0.08 0.15 -0.16 -0.04 1.21 1.08 3k2hB1 ILE 64 HG23 -0.02 -0.03 -0.20 -0.04 0.93 0.64 3k2hB1 ILE 64 HD13 -0.07 -0.02 -0.15 -0.04 0.88 0.60 3k2hB1 PHE 65 H 0.02 0.62 0.37 -0.55 8.34 8.80 3k2hB1 PHE 65 HA -0.01 0.28 0.95 -0.75 4.62 5.09 3k2hB1 PHE 65 HB2 -0.02 -0.05 -0.02 -0.04 3.15 3.02 3k2hB1 PHE 65 HB3 0.04 -0.02 0.05 -0.04 3.06 3.09 3k2hB1 PHE 65 HD2 -0.01 0.06 -0.13 -0.04 7.28 7.16 3k2hB1 PHE 65 HE2 0.08 0.01 -0.08 -0.04 7.38 7.35 3k2hB1 PHE 65 HZ 0.07 0.02 -0.07 -0.04 7.32 7.30 3k2hB1 GLY 66 H 0.10 0.43 0.51 -0.55 8.43 8.93 3k2hB1 GLY 66 HA2 0.02 0.27 0.86 -0.51 4.01 4.64 3k2hB1 GLY 66 HA3 -0.00 -0.18 0.48 -0.51 4.01 3.80 3k2hB1 ARG 67 H -0.04 0.24 0.25 -0.55 8.46 8.35 3k2hB1 ARG 67 HA 0.02 0.19 0.44 -0.75 4.34 4.23 3k2hB1 ARG 67 HB2 -0.01 0.07 0.01 -0.04 1.90 1.93 3k2hB1 ARG 67 HB3 -0.02 0.08 0.05 -0.04 1.80 1.87 3k2hB1 ARG 67 HG2 -0.05 0.05 0.21 -0.04 1.67 1.83 3k2hB1 ARG 67 HG3 -0.07 -0.12 0.16 -0.04 1.67 1.60 3k2hB1 ARG 67 HD2 -0.03 0.10 -0.02 -0.04 3.22 3.23 3k2hB1 ARG 67 HD3 -0.04 -0.12 0.03 -0.04 3.22 3.05 3k2hB1 LYS 68 H -0.05 -0.01 -0.10 -0.55 8.42 7.71 3k2hB1 LYS 68 HA -0.03 0.15 0.22 -0.75 4.32 3.91 3k2hB1 LYS 68 HB2 -0.03 -0.13 0.11 -0.04 1.87 1.79 3k2hB1 LYS 68 HB3 -0.01 0.07 0.04 -0.04 1.79 1.85 3k2hB1 LYS 68 HG2 -0.04 0.10 0.02 -0.04 1.46 1.50 3k2hB1 LYS 68 HG3 -0.10 -0.09 0.09 -0.04 1.46 1.32 3k2hB1 LYS 68 HD2 -0.03 -0.06 0.04 -0.04 1.69 1.59 3k2hB1 LYS 68 HD3 -0.01 0.06 0.01 -0.04 1.68 1.70 3k2hB1 LYS 68 HE2 -0.09 0.03 0.03 -0.04 2.99 2.91 3k2hB1 LYS 68 HE3 -0.26 -0.06 0.05 -0.04 2.99 2.68 3k2hB1 THR 69 H 0.02 -0.08 -0.23 -0.55 8.28 7.45 3k2hB1 THR 69 HA -0.00 0.08 0.43 -0.75 4.39 4.14 3k2hB1 THR 69 HB 0.13 0.06 -0.04 -0.04 4.32 4.44 3k2hB1 THR 69 HG23 0.13 0.11 -0.15 -0.04 1.22 1.27 3k2hB1 TYR 70 H 0.01 0.26 -0.31 -0.55 8.29 7.70 3k2hB1 TYR 70 HA -0.67 0.05 0.36 -0.75 4.56 3.55 3k2hB1 TYR 70 HB2 -0.28 -0.01 0.06 -0.04 3.06 2.79 3k2hB1 TYR 70 HB3 -0.17 0.06 0.09 -0.04 2.98 2.92 3k2hB1 TYR 70 HD2 -0.67 -0.03 -0.07 -0.04 7.15 6.34 3k2hB1 TYR 70 HE2 -0.09 -0.03 -0.05 -0.04 6.85 6.64 3k2hB1 GLU 71 H -0.06 0.28 -0.19 -0.55 8.60 8.08 3k2hB1 GLU 71 HA -0.23 0.17 0.64 -0.75 4.29 4.12 3k2hB1 GLU 71 HB2 -0.07 0.04 0.02 -0.04 2.09 2.04 3k2hB1 GLU 71 HB3 -0.08 -0.03 0.10 -0.04 1.99 1.93 3k2hB1 GLU 71 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 3k2hB1 GLU 71 HG3 -0.03 0.03 0.05 -0.04 2.34 2.35 3k2hB1 SER 72 H -0.11 0.20 -0.19 -0.55 8.46 7.81 3k2hB1 SER 72 HA -0.08 0.09 0.49 -0.75 4.49 4.23 3k2hB1 SER 72 HB2 -0.06 -0.09 0.01 -0.04 3.95 3.77 3k2hB1 SER 72 HB3 -0.08 0.32 0.23 -0.04 3.93 4.35 3k2hB1 ILE 73 H -0.24 0.19 -1.16 -0.55 8.25 6.48 3k2hB1 ILE 73 HA -0.20 0.06 0.81 -0.75 4.18 4.10 3k2hB1 ILE 73 HB -0.41 0.15 0.01 -0.04 1.89 1.60 3k2hB1 ILE 73 HG12 -0.21 -0.06 -0.22 -0.04 1.49 0.96 3k2hB1 ILE 73 HG13 -0.30 0.10 -0.17 -0.04 1.21 0.81 3k2hB1 ILE 73 HG23 -0.26 -0.04 -0.11 -0.04 0.93 0.49 3k2hB1 ILE 73 HD13 -0.39 -0.03 -0.07 -0.04 0.88 0.35 3k2hB1 PRO 74 HA -0.09 0.11 0.47 -0.51 4.44 4.42 3k2hB1 PRO 74 HB2 -0.07 -0.24 0.07 -0.04 2.28 1.99 3k2hB1 PRO 74 HB3 -0.04 0.05 0.16 -0.04 2.02 2.15 3k2hB1 PRO 74 HG2 -0.14 0.00 -0.01 -0.04 2.03 1.84 3k2hB1 PRO 74 HG3 -0.05 0.04 0.05 -0.04 2.03 2.04 3k2hB1 PRO 74 HD2 -0.21 0.12 0.23 -0.04 3.68 3.79 3k2hB1 PRO 74 HD3 -0.06 0.17 0.10 -0.04 3.65 3.82 3k2hB1 LYS 75 H -0.07 0.09 0.20 -0.55 8.42 8.08 3k2hB1 LYS 75 HA -0.11 0.29 0.84 -0.75 4.32 4.59 3k2hB1 ALA 76 H -0.05 0.00 0.11 -0.55 8.40 7.91 3k2hB1 ALA 76 HA -0.03 0.09 0.31 -0.75 4.34 3.96 3k2hB1 ALA 76 HB3 -0.02 0.00 0.09 -0.04 1.41 1.43 3k2hB1 SER 77 H -0.09 -0.05 -0.93 -0.55 8.46 6.85 3k2hB1 SER 77 HA -0.06 0.20 0.73 -0.75 4.49 4.60 3k2hB1 SER 77 HB2 -0.16 -0.02 -0.12 -0.04 3.95 3.61 3k2hB1 SER 77 HB3 -0.14 0.01 0.03 -0.04 3.93 3.79 3k2hB1 LEU 78 H -0.09 0.40 -0.28 -0.55 8.37 7.86 3k2hB1 LEU 78 HA -0.08 0.02 0.63 -0.75 4.35 4.17 3k2hB1 LEU 78 HB2 -0.24 0.24 -0.07 -0.04 1.64 1.53 3k2hB1 LEU 78 HB3 -0.19 -0.06 0.07 -0.04 1.64 1.42 3k2hB1 LEU 78 HG -0.40 -0.05 -0.02 -0.04 1.64 1.13 3k2hB1 LEU 78 HD13 -0.42 -0.05 -0.03 -0.04 0.93 0.39 3k2hB1 LEU 78 HD23 -0.99 0.02 -0.02 -0.04 0.89 -0.14 3k2hB1 PRO 79 HA 0.14 -0.00 0.34 -0.51 4.44 4.41 3k2hB1 PRO 79 HB2 0.10 0.14 -0.08 -0.04 2.28 2.40 3k2hB1 PRO 79 HB3 0.18 0.02 0.05 -0.04 2.02 2.24 3k2hB1 PRO 79 HG2 0.04 0.01 0.04 -0.04 2.03 2.08 3k2hB1 PRO 79 HG3 0.06 -0.03 0.08 -0.04 2.03 2.09 3k2hB1 PRO 79 HD2 0.02 0.13 0.57 -0.04 3.68 4.36 3k2hB1 PRO 79 HD3 0.06 0.07 -0.02 -0.04 3.65 3.72 3k2hB1 LEU 80 H 0.18 0.04 0.09 -0.55 8.37 8.13 3k2hB1 LEU 80 HA 0.02 0.15 0.44 -0.75 4.35 4.20 3k2hB1 LEU 80 HB2 0.16 -0.04 0.08 -0.04 1.64 1.80 3k2hB1 LEU 80 HB3 0.05 0.08 -0.03 -0.04 1.64 1.69 3k2hB1 LEU 80 HG 0.25 -0.06 0.04 -0.04 1.64 1.82 3k2hB1 LEU 80 HD13 0.20 -0.01 -0.06 -0.04 0.93 1.02 3k2hB1 LEU 80 HD23 -0.04 0.07 -0.01 -0.04 0.89 0.87 3k2hB1 LYS 81 H -0.00 0.09 0.19 -0.55 8.42 8.15 3k2hB1 LYS 81 HA 0.01 0.02 0.34 -0.75 4.32 3.93 3k2hB1 LYS 81 HB2 -0.01 0.06 0.12 -0.04 1.87 2.01 3k2hB1 LYS 81 HB3 -0.01 -0.04 0.10 -0.04 1.79 1.79 3k2hB1 LYS 81 HG2 -0.00 0.03 -0.12 -0.04 1.46 1.33 3k2hB1 LYS 81 HG3 0.00 -0.02 0.04 -0.04 1.46 1.45 3k2hB1 LYS 81 HD2 -0.00 0.00 -0.00 -0.04 1.69 1.65 3k2hB1 LYS 81 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.61 3k2hB1 LYS 81 HE2 -0.00 -0.04 -0.02 -0.04 2.99 2.89 3k2hB1 LYS 81 HE3 -0.00 0.02 -0.05 -0.04 2.99 2.92 3k2hB1 ASN 82 H 0.01 0.10 0.17 -0.55 8.53 8.26 3k2hB1 ASN 82 HA 0.01 -0.01 0.34 -0.75 4.76 4.34 3k2hB1 ASN 82 HB2 -0.01 0.15 -0.24 -0.04 2.88 2.74 3k2hB1 ASN 82 HB3 -0.00 0.04 0.21 -0.04 2.79 3.00 3k2hB1 ASN 82 HD21 -0.00 -0.04 -0.05 -0.04 7.03 6.89 3k2hB1 ASN 82 HD22 -0.01 0.03 -0.15 -0.04 7.74 7.57 3k2hB1 ARG 83 H 0.02 0.35 -0.26 -0.55 8.46 8.02 3k2hB1 ARG 83 HA 0.03 0.19 0.87 -0.75 4.34 4.67 3k2hB1 ARG 83 HB2 0.02 -0.01 -0.20 -0.04 1.90 1.67 3k2hB1 ARG 83 HB3 0.02 -0.01 -0.14 -0.04 1.80 1.64 3k2hB1 ARG 83 HG2 0.03 0.05 -0.11 -0.04 1.67 1.60 3k2hB1 ARG 83 HG3 -0.00 0.08 -0.40 -0.04 1.67 1.31 3k2hB1 ARG 83 HD2 -0.05 -0.12 -0.22 -0.04 3.22 2.79 3k2hB1 ARG 83 HD3 -0.11 -0.04 -0.47 -0.04 3.22 2.56 3k2hB1 ILE 84 H 0.02 0.61 0.26 -0.55 8.25 8.60 3k2hB1 ILE 84 HA 0.02 0.07 0.76 -0.75 4.18 4.28 3k2hB1 ILE 84 HB -0.01 -0.04 0.15 -0.04 1.89 1.95 3k2hB1 ILE 84 HG12 0.02 -0.02 0.01 -0.04 1.49 1.46 3k2hB1 ILE 84 HG13 0.03 -0.00 -0.02 -0.04 1.21 1.17 3k2hB1 ILE 84 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 3k2hB1 ILE 84 HD13 0.05 0.01 -0.07 -0.04 0.88 0.83 3k2hB1 ASN 85 H 0.04 0.25 0.25 -0.55 8.53 8.52 3k2hB1 ASN 85 HA 0.05 0.19 0.96 -0.75 4.76 5.21 3k2hB1 ASN 85 HB2 0.07 0.09 0.13 -0.04 2.88 3.13 3k2hB1 ASN 85 HB3 0.19 -0.06 -0.02 -0.04 2.79 2.87 3k2hB1 ASN 85 HD21 0.09 0.47 -0.04 -0.04 7.03 7.51 3k2hB1 ASN 85 HD22 0.07 -0.08 -0.17 -0.04 7.74 7.52 3k2hB1 VAL 86 H -0.02 0.59 0.39 -0.55 8.24 8.65 3k2hB1 VAL 86 HA 0.01 0.25 1.00 -0.75 4.13 4.63 3k2hB1 VAL 86 HB -0.02 0.06 0.07 -0.04 2.12 2.19 3k2hB1 VAL 86 HG13 0.16 -0.04 -0.24 -0.04 0.97 0.81 3k2hB1 VAL 86 HG23 0.05 -0.00 -0.26 -0.04 0.95 0.70 3k2hB1 ILE 87 H -0.01 0.69 0.37 -0.55 8.25 8.75 3k2hB1 ILE 87 HA 0.08 0.25 1.00 -0.75 4.18 4.75 3k2hB1 ILE 87 HB -0.11 0.03 0.00 -0.04 1.89 1.77 3k2hB1 ILE 87 HG12 -0.28 -0.01 -0.15 -0.04 1.49 1.01 3k2hB1 ILE 87 HG13 -0.20 -0.01 -0.53 -0.04 1.21 0.44 3k2hB1 ILE 87 HG23 -0.05 -0.04 -0.34 -0.04 0.93 0.47 3k2hB1 ILE 87 HD13 -0.84 0.01 -0.17 -0.04 0.88 -0.16 3k2hB1 LEU 88 H 0.04 0.65 0.37 -0.55 8.37 8.89 3k2hB1 LEU 88 HA 0.06 0.35 0.93 -0.75 4.35 4.94 3k2hB1 LEU 88 HB2 0.03 -0.09 0.09 -0.04 1.64 1.63 3k2hB1 LEU 88 HB3 0.03 -0.04 -0.10 -0.04 1.64 1.50 3k2hB1 LEU 88 HG 0.04 0.07 -0.23 -0.04 1.64 1.49 3k2hB1 LEU 88 HD13 0.03 -0.03 -0.16 -0.04 0.93 0.73 3k2hB1 LEU 88 HD23 0.06 -0.02 -0.34 -0.04 0.89 0.55 3k2hB1 SER 89 H 0.02 0.79 0.29 -0.55 8.46 9.02 3k2hB1 SER 89 HA -0.04 -0.06 0.64 -0.75 4.49 4.28 3k2hB1 SER 89 HB2 -0.03 0.07 -0.03 -0.04 3.95 3.91 3k2hB1 SER 89 HB3 -0.03 0.20 -0.20 -0.04 3.93 3.86 3k2hB1 ARG 90 H -0.03 0.08 0.21 -0.55 8.46 8.16 3k2hB1 ARG 90 HA -0.00 0.00 0.85 -0.75 4.34 4.43 3k2hB1 ARG 90 HB2 -0.01 -0.07 0.13 -0.04 1.90 1.91 3k2hB1 ARG 90 HB3 -0.00 0.03 0.11 -0.04 1.80 1.90 3k2hB1 ARG 90 HG2 0.01 0.02 0.11 -0.04 1.67 1.76 3k2hB1 ARG 90 HG3 0.01 0.00 0.04 -0.04 1.67 1.68 3k2hB1 ARG 90 HD2 0.01 -0.00 0.04 -0.04 3.22 3.23 3k2hB1 ARG 90 HD3 0.02 0.00 0.03 -0.04 3.22 3.23 3k2hB1 THR 91 H -0.03 -0.09 0.02 -0.55 8.28 7.64 3k2hB1 THR 91 HA -0.02 0.32 1.03 -0.75 4.39 4.97 3k2hB1 THR 91 HB -0.02 0.07 0.06 -0.04 4.32 4.39 3k2hB1 THR 91 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.03 3k2hB1 VAL 92 H -0.03 -0.06 -0.01 -0.55 8.24 7.60 3k2hB1 VAL 92 HA -0.02 0.21 0.90 -0.75 4.13 4.46 3k2hB1 VAL 92 HB -0.03 -0.04 -0.06 -0.04 2.12 1.95 3k2hB1 VAL 92 HG13 -0.02 0.00 -0.11 -0.04 0.97 0.80 3k2hB1 VAL 92 HG23 -0.02 -0.01 -0.10 -0.04 0.95 0.78 3k2hB1 LYS 93 H -0.03 0.11 0.08 -0.55 8.42 8.03 3k2hB1 LYS 93 HA -0.04 0.17 0.67 -0.75 4.32 4.37 3k2hB1 GLU 94 H -0.03 0.07 0.09 -0.55 8.60 8.18 3k2hB1 GLU 94 HA -0.06 0.25 0.87 -0.75 4.29 4.59 3k2hB1 VAL 95 H -0.05 0.36 0.05 -0.55 8.24 8.05 3k2hB1 VAL 95 HA -0.01 0.15 0.59 -0.75 4.13 4.11 3k2hB1 VAL 95 HB -0.11 -0.01 -0.11 -0.04 2.12 1.86 3k2hB1 VAL 95 HG13 0.01 0.06 -0.11 -0.04 0.97 0.88 3k2hB1 VAL 95 HG23 -0.06 -0.03 -0.33 -0.04 0.95 0.49 3k2hB1 PRO 96 HA 0.00 -0.01 0.54 -0.51 4.44 4.46 3k2hB1 PRO 96 HB2 0.03 0.09 0.01 -0.04 2.28 2.37 3k2hB1 PRO 96 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 3k2hB1 PRO 96 HG2 0.04 0.06 0.09 -0.04 2.03 2.18 3k2hB1 PRO 96 HG3 0.01 0.04 0.06 -0.04 2.03 2.10 3k2hB1 PRO 96 HD2 0.01 0.11 0.18 -0.04 3.68 3.94 3k2hB1 PRO 96 HD3 0.00 0.11 0.00 -0.04 3.65 3.72 3k2hB1 GLY 97 H 0.00 0.12 0.21 -0.55 8.43 8.22 3k2hB1 GLY 97 HA2 0.01 0.00 0.36 -0.51 4.01 3.87 3k2hB1 GLY 97 HA3 0.04 0.12 0.44 -0.51 4.01 4.10 3k2hB1 CYS 98 H -0.03 0.33 -0.24 -0.55 8.50 8.01 3k2hB1 CYS 98 HA -0.02 0.29 1.05 -0.75 4.58 5.14 3k2hB1 CYS 98 HB2 -0.13 -0.08 -0.20 -0.04 2.97 2.52 3k2hB1 CYS 98 HB3 -0.13 0.07 -0.12 -0.04 2.97 2.75 3k2hB1 LEU 99 H -0.04 0.60 0.40 -0.55 8.37 8.78 3k2hB1 LEU 99 HA -0.13 0.12 0.85 -0.75 4.35 4.44 3k2hB1 LEU 99 HB2 0.01 -0.03 0.10 -0.04 1.64 1.69 3k2hB1 LEU 99 HB3 -0.21 -0.02 0.06 -0.04 1.64 1.43 3k2hB1 LEU 99 HG -0.01 0.05 0.02 -0.04 1.64 1.66 3k2hB1 LEU 99 HD13 0.07 0.00 -0.05 -0.04 0.93 0.91 3k2hB1 LEU 99 HD23 -0.05 0.01 -0.03 -0.04 0.89 0.78 3k2hB1 VAL 100 H -0.31 0.25 0.17 -0.55 8.24 7.81 3k2hB1 VAL 100 HA -0.08 0.27 1.03 -0.75 4.13 4.60 3k2hB1 VAL 100 HB -0.13 0.10 0.09 -0.04 2.12 2.14 3k2hB1 VAL 100 HG13 -0.06 -0.03 -0.24 -0.04 0.97 0.60 3k2hB1 VAL 100 HG23 -0.10 -0.03 -0.41 -0.04 0.95 0.37 3k2hB1 TYR 101 H 0.10 0.60 0.37 -0.55 8.29 8.81 3k2hB1 TYR 101 HA -0.02 0.23 0.85 -0.75 4.56 4.87 3k2hB1 TYR 101 HB2 -0.01 -0.02 0.01 -0.04 3.06 3.00 3k2hB1 TYR 101 HB3 -0.01 -0.15 0.12 -0.04 2.98 2.90 3k2hB1 TYR 101 HD2 -0.02 -0.04 -0.13 -0.04 7.15 6.92 3k2hB1 TYR 101 HE2 -0.02 0.03 -0.09 -0.04 6.85 6.72 3k2hB1 GLU 102 H 0.12 0.15 0.18 -0.55 8.60 8.52 3k2hB1 GLU 102 HA 0.03 0.38 0.52 -0.75 4.29 4.47 3k2hB1 GLU 102 HB2 0.05 -0.03 0.15 -0.04 2.09 2.22 3k2hB1 GLU 102 HB3 0.03 -0.03 0.02 -0.04 1.99 1.97 3k2hB1 GLU 102 HG2 0.01 0.09 0.11 -0.04 2.34 2.51 3k2hB1 GLU 102 HG3 0.02 0.03 0.06 -0.04 2.34 2.41 3k2hB1 ASP 103 H 0.08 0.16 0.01 -0.55 8.40 8.10 3k2hB1 ASP 103 HA 0.05 0.15 0.40 -0.75 4.63 4.48 3k2hB1 ASP 103 HB2 0.04 -0.08 0.13 -0.04 2.71 2.76 3k2hB1 ASP 103 HB3 0.04 0.20 -0.01 -0.04 2.70 2.88 3k2hB1 LEU 104 H 0.07 0.19 0.09 -0.55 8.37 8.18 3k2hB1 LEU 104 HA -0.00 0.11 0.24 -0.75 4.35 3.94 3k2hB1 LEU 104 HB2 0.06 -0.02 0.05 -0.04 1.64 1.69 3k2hB1 LEU 104 HB3 0.16 -0.01 0.10 -0.04 1.64 1.84 3k2hB1 LEU 104 HG 0.09 0.08 -0.28 -0.04 1.64 1.49 3k2hB1 LEU 104 HD13 -0.00 0.00 -0.05 -0.04 0.93 0.84 3k2hB1 LEU 104 HD23 0.03 0.02 -0.09 -0.04 0.89 0.80 3k2hB1 SER 105 H 0.07 0.05 -0.09 -0.55 8.46 7.95 3k2hB1 SER 105 HA 0.08 0.15 0.32 -0.75 4.49 4.28 3k2hB1 SER 105 HB2 -0.11 0.24 0.08 -0.04 3.95 4.12 3k2hB1 SER 105 HB3 -0.18 -0.01 0.06 -0.04 3.93 3.76 3k2hB1 THR 106 H -0.03 -0.01 -0.23 -0.55 8.28 7.46 3k2hB1 THR 106 HA -0.05 0.11 0.46 -0.75 4.39 4.15 3k2hB1 THR 106 HB 0.02 -0.04 0.10 -0.04 4.32 4.35 3k2hB1 THR 106 HG23 0.08 0.02 -0.03 -0.04 1.22 1.25 3k2hB1 ALA 107 H -0.20 0.38 -0.18 -0.55 8.40 7.86 3k2hB1 ALA 107 HA -1.77 -0.01 0.24 -0.75 4.34 2.05 3k2hB1 ALA 107 HB3 -0.34 0.01 0.02 -0.04 1.41 1.05 3k2hB1 ILE 108 H -0.15 0.58 -0.07 -0.55 8.25 8.06 3k2hB1 ILE 108 HA -0.13 0.01 0.28 -0.75 4.18 3.58 3k2hB1 ILE 108 HB -0.02 0.01 0.07 -0.04 1.89 1.92 3k2hB1 ILE 108 HG12 -0.04 0.13 0.04 -0.04 1.49 1.58 3k2hB1 ILE 108 HG13 0.00 0.05 -0.02 -0.04 1.21 1.20 3k2hB1 ILE 108 HG23 -0.01 0.01 -0.06 -0.04 0.93 0.83 3k2hB1 ILE 108 HD13 -0.07 -0.02 -0.09 -0.04 0.88 0.66 3k2hB1 ARG 109 H -0.07 0.43 -0.08 -0.55 8.46 8.18 3k2hB1 ARG 109 HA -0.02 0.06 0.46 -0.75 4.34 4.08 3k2hB1 ARG 109 HB2 -0.05 0.14 0.18 -0.04 1.90 2.14 3k2hB1 ARG 109 HB3 -0.02 -0.07 -0.06 -0.04 1.80 1.61 3k2hB1 ARG 109 HG2 -0.01 -0.04 0.01 -0.04 1.67 1.59 3k2hB1 ARG 109 HG3 -0.01 0.07 0.01 -0.04 1.67 1.69 3k2hB1 ARG 109 HD2 -0.02 -0.08 -0.05 -0.04 3.22 3.02 3k2hB1 ARG 109 HD3 -0.01 -0.07 -0.04 -0.04 3.22 3.06 3k2hB1 ASP 110 H -0.13 0.67 -0.09 -0.55 8.40 8.30 3k2hB1 ASP 110 HA 0.02 -0.01 0.39 -0.75 4.63 4.27 3k2hB1 ASP 110 HB2 0.05 -0.03 0.08 -0.04 2.71 2.77 3k2hB1 ASP 110 HB3 -0.12 0.07 0.10 -0.04 2.70 2.71 3k2hB1 LEU 111 H -0.14 0.69 -0.04 -0.55 8.37 8.33 3k2hB1 LEU 111 HA 0.03 -0.05 0.38 -0.75 4.35 3.96 3k2hB1 LEU 111 HB2 -0.13 0.12 0.19 -0.04 1.64 1.77 3k2hB1 LEU 111 HB3 -0.23 0.02 -0.05 -0.04 1.64 1.34 3k2hB1 LEU 111 HG -0.14 0.02 0.02 -0.04 1.64 1.51 3k2hB1 LEU 111 HD13 -0.17 -0.04 -0.17 -0.04 0.93 0.50 3k2hB1 LEU 111 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.75 3k2hB1 ARG 112 H 0.03 0.66 -0.05 -0.55 8.46 8.54 3k2hB1 ARG 112 HA 0.22 0.09 0.36 -0.75 4.34 4.26 3k2hB1 ARG 112 HB2 0.04 0.03 0.08 -0.04 1.90 2.01 3k2hB1 ARG 112 HB3 0.05 -0.07 0.08 -0.04 1.80 1.83 3k2hB1 ARG 112 HG2 0.23 -0.03 -0.02 -0.04 1.67 1.81 3k2hB1 ARG 112 HG3 0.06 0.09 0.07 -0.04 1.67 1.86 3k2hB1 ARG 112 HD2 0.03 0.13 0.02 -0.04 3.22 3.36 3k2hB1 ARG 112 HD3 0.04 -0.07 0.02 -0.04 3.22 3.17 3k2hB1 ALA 113 H 0.03 0.44 -0.23 -0.55 8.40 8.09 3k2hB1 ALA 113 HA 0.02 0.08 0.79 -0.75 4.34 4.47 3k2hB1 ALA 113 HB3 0.02 -0.04 0.08 -0.04 1.41 1.43 3k2hB1 ASN 114 H 0.05 0.51 0.02 -0.55 8.53 8.57 3k2hB1 ASN 114 HA 0.03 0.17 0.85 -0.75 4.76 5.06 3k2hB1 ASN 114 HB2 0.06 0.06 0.01 -0.04 2.88 2.96 3k2hB1 ASN 114 HB3 0.04 -0.08 0.05 -0.04 2.79 2.76 3k2hB1 ASN 114 HD21 0.03 -0.06 -0.04 -0.04 7.03 6.91 3k2hB1 ASN 114 HD22 0.05 -0.01 0.03 -0.04 7.74 7.76 3k2hB1 VAL 115 H 0.09 0.49 0.11 -0.55 8.24 8.37 3k2hB1 VAL 115 HA 0.06 0.19 1.00 -0.75 4.13 4.63 3k2hB1 VAL 115 HB 0.09 -0.02 0.15 -0.04 2.12 2.30 3k2hB1 VAL 115 HG13 0.06 0.00 -0.11 -0.04 0.97 0.88 3k2hB1 VAL 115 HG23 0.08 -0.02 -0.20 -0.04 0.95 0.77 3k2hB1 PRO 116 HA -0.02 0.03 0.49 -0.51 4.44 4.43 3k2hB1 PRO 116 HB2 0.02 -0.02 0.09 -0.04 2.28 2.33 3k2hB1 PRO 116 HB3 -0.01 -0.00 0.05 -0.04 2.02 2.02 3k2hB1 PRO 116 HG2 0.01 -0.02 0.05 -0.04 2.03 2.03 3k2hB1 PRO 116 HG3 0.00 0.04 0.01 -0.04 2.03 2.05 3k2hB1 PRO 116 HD2 0.03 0.05 0.18 -0.04 3.68 3.91 3k2hB1 PRO 116 HD3 0.03 0.23 -0.22 -0.04 3.65 3.66 3k2hB1 HIS 117 H -0.19 0.29 0.30 -0.55 8.41 8.26 3k2hB1 HIS 117 HA -0.01 0.10 0.66 -0.75 4.63 4.62 3k2hB1 HIS 117 HB2 -0.01 -0.03 0.04 -0.04 3.26 3.23 3k2hB1 HIS 117 HB3 -0.00 0.08 -0.34 -0.04 3.20 2.90 3k2hB1 HIS 117 HD2 -0.06 -0.14 -0.74 -0.04 6.97 5.98 3k2hB1 HIS 117 HE1 -0.02 -0.07 -0.37 -0.04 7.75 7.25 3k2hB1 ASN 118 H 0.11 0.48 0.21 -0.55 8.53 8.78 3k2hB1 ASN 118 HA -0.09 0.14 0.87 -0.75 4.76 4.93 3k2hB1 ASN 118 HB2 -0.02 -0.01 -0.09 -0.04 2.88 2.71 3k2hB1 ASN 118 HB3 0.02 -0.01 0.03 -0.04 2.79 2.79 3k2hB1 ASN 118 HD21 -0.00 -0.07 -0.00 -0.04 7.03 6.91 3k2hB1 ASN 118 HD22 0.03 0.10 0.03 -0.04 7.74 7.85 3k2hB1 LYS 119 H 0.06 0.16 0.27 -0.55 8.42 8.35 3k2hB1 LYS 119 HA -0.03 0.18 0.92 -0.75 4.32 4.63 3k2hB1 LYS 119 HB2 -0.05 -0.02 -0.11 -0.04 1.87 1.65 3k2hB1 LYS 119 HB3 -0.34 0.05 0.03 -0.04 1.79 1.49 3k2hB1 LYS 119 HG2 -0.60 0.07 -0.01 -0.04 1.46 0.88 3k2hB1 LYS 119 HG3 -0.15 0.02 0.12 -0.04 1.46 1.42 3k2hB1 LYS 119 HD2 0.03 -0.03 -0.01 -0.04 1.69 1.63 3k2hB1 LYS 119 HD3 0.08 0.05 -0.03 -0.04 1.68 1.74 3k2hB1 LYS 119 HE2 0.21 -0.04 -0.03 -0.04 2.99 3.09 3k2hB1 LYS 119 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 3k2hB1 ILE 120 H -0.16 0.23 0.23 -0.55 8.25 7.99 3k2hB1 ILE 120 HA -0.17 0.12 0.97 -0.75 4.18 4.35 3k2hB1 ILE 120 HB -0.10 0.02 0.16 -0.04 1.89 1.93 3k2hB1 ILE 120 HG12 -0.38 0.01 -0.10 -0.04 1.49 0.98 3k2hB1 ILE 120 HG13 -0.01 0.01 -0.05 -0.04 1.21 1.12 3k2hB1 ILE 120 HG23 -0.09 -0.02 -0.17 -0.04 0.93 0.61 3k2hB1 ILE 120 HD13 -0.09 0.01 -0.05 -0.04 0.88 0.71 3k2hB1 PHE 121 H 0.02 0.89 0.40 -0.55 8.34 9.11 3k2hB1 PHE 121 HA 0.11 0.24 1.08 -0.75 4.62 5.30 3k2hB1 PHE 121 HB2 -0.05 0.03 0.19 -0.04 3.15 3.29 3k2hB1 PHE 121 HB3 0.11 -0.06 0.08 -0.04 3.06 3.15 3k2hB1 PHE 121 HD2 0.15 0.06 -0.04 -0.04 7.28 7.41 3k2hB1 PHE 121 HE2 0.11 0.03 -0.05 -0.04 7.38 7.43 3k2hB1 PHE 121 HZ 0.08 0.03 -0.03 -0.04 7.32 7.35 3k2hB1 ILE 122 H 0.32 0.82 0.32 -0.55 8.25 9.17 3k2hB1 ILE 122 HA 0.05 0.13 0.98 -0.75 4.18 4.58 3k2hB1 ILE 122 HB 0.27 -0.02 -0.02 -0.04 1.89 2.08 3k2hB1 ILE 122 HG12 0.11 0.03 -0.35 -0.04 1.49 1.24 3k2hB1 ILE 122 HG13 0.11 -0.01 -0.23 -0.04 1.21 1.04 3k2hB1 ILE 122 HG23 0.13 -0.03 -0.14 -0.04 0.93 0.84 3k2hB1 ILE 122 HD13 0.02 0.03 -0.18 -0.04 0.88 0.71 3k2hB1 LEU 123 H -0.06 0.74 0.34 -0.55 8.37 8.85 3k2hB1 LEU 123 HA 0.29 0.36 1.11 -0.75 4.35 5.35 3k2hB1 LEU 123 HB2 -0.15 0.03 0.02 -0.04 1.64 1.50 3k2hB1 LEU 123 HB3 0.22 -0.02 0.18 -0.04 1.64 1.97 3k2hB1 LEU 123 HG -0.24 -0.03 -0.12 -0.04 1.64 1.22 3k2hB1 LEU 123 HD13 0.05 0.01 -0.07 -0.04 0.93 0.88 3k2hB1 LEU 123 HD23 0.09 -0.01 -0.30 -0.04 0.89 0.63 3k2hB1 GLY 124 H -0.21 0.03 0.01 -0.55 8.43 7.71 3k2hB1 GLY 124 HA2 -1.28 0.04 0.34 -0.51 4.01 2.61 3k2hB1 GLY 124 HA3 -0.34 0.15 0.40 -0.51 4.01 3.71 3k2hB1 GLY 125 H 0.02 -0.10 0.16 -0.55 8.43 7.96 3k2hB1 GLY 125 HA2 -0.05 0.28 0.34 -0.51 4.01 4.08 3k2hB1 GLY 125 HA3 0.10 0.04 0.37 -0.51 4.01 4.01 3k2hB1 SER 126 H 0.23 0.19 0.12 -0.55 8.46 8.45 3k2hB1 SER 126 HA 0.33 0.15 0.26 -0.75 4.49 4.47 3k2hB1 SER 126 HB2 0.16 -0.08 0.19 -0.04 3.95 4.17 3k2hB1 SER 126 HB3 0.08 0.11 0.07 -0.04 3.93 4.14 3k2hB1 PHE 127 H 0.48 0.05 -0.05 -0.55 8.34 8.26 3k2hB1 PHE 127 HA 0.03 0.13 0.41 -0.75 4.62 4.44 3k2hB1 PHE 127 HB2 0.02 -0.14 0.09 -0.04 3.15 3.08 3k2hB1 PHE 127 HB3 0.02 0.08 0.01 -0.04 3.06 3.14 3k2hB1 PHE 127 HD2 0.03 -0.06 0.07 -0.04 7.28 7.28 3k2hB1 PHE 127 HE2 0.03 0.04 0.04 -0.04 7.38 7.45 3k2hB1 PHE 127 HZ 0.03 0.06 0.03 -0.04 7.32 7.40 3k2hB1 LEU 128 H 0.13 0.03 -0.30 -0.55 8.37 7.69 3k2hB1 LEU 128 HA 0.07 0.04 0.27 -0.75 4.35 3.97 3k2hB1 LEU 128 HB2 0.01 -0.08 -0.09 -0.04 1.64 1.45 3k2hB1 LEU 128 HB3 -0.13 0.05 -0.07 -0.04 1.64 1.44 3k2hB1 LEU 128 HG -0.03 0.04 -0.23 -0.04 1.64 1.38 3k2hB1 LEU 128 HD13 0.03 -0.00 -0.07 -0.04 0.93 0.85 3k2hB1 LEU 128 HD23 -0.03 0.03 -0.26 -0.04 0.89 0.59 3k2hB1 TYR 129 H -0.06 0.56 0.00 -0.55 8.29 8.24 3k2hB1 TYR 129 HA 0.05 0.04 0.39 -0.75 4.56 4.29 3k2hB1 TYR 129 HB2 0.00 0.03 0.06 -0.04 3.06 3.11 3k2hB1 TYR 129 HB3 -0.19 0.04 -0.06 -0.04 2.98 2.73 3k2hB1 TYR 129 HD2 0.25 -0.03 -0.16 -0.04 7.15 7.17 3k2hB1 TYR 129 HE2 0.26 0.12 -0.12 -0.04 6.85 7.07 3k2hB1 LYS 130 H 0.09 0.71 -0.16 -0.55 8.42 8.51 3k2hB1 LYS 130 HA -0.05 0.02 0.48 -0.75 4.32 4.02 3k2hB1 LYS 130 HB2 -0.03 0.01 0.12 -0.04 1.87 1.92 3k2hB1 LYS 130 HB3 -0.01 0.10 0.20 -0.04 1.79 2.04 3k2hB1 LYS 130 HG2 -0.06 -0.03 -0.00 -0.04 1.46 1.32 3k2hB1 LYS 130 HG3 -0.03 -0.01 -0.15 -0.04 1.46 1.24 3k2hB1 LYS 130 HD2 -0.06 -0.03 0.09 -0.04 1.69 1.65 3k2hB1 LYS 130 HD3 -0.07 -0.00 0.04 -0.04 1.68 1.60 3k2hB1 LYS 130 HE2 -0.06 -0.01 0.00 -0.04 2.99 2.89 3k2hB1 LYS 130 HE3 -0.04 0.00 -0.00 -0.04 2.99 2.91 3k2hB1 GLU 131 H 0.05 0.53 -0.00 -0.55 8.60 8.63 3k2hB1 GLU 131 HA 0.00 0.02 0.42 -0.75 4.29 3.98 3k2hB1 GLU 131 HB2 0.07 -0.04 0.10 -0.04 2.09 2.19 3k2hB1 GLU 131 HB3 0.05 0.07 0.17 -0.04 1.99 2.24 3k2hB1 GLU 131 HG2 -0.03 0.06 -0.27 -0.04 2.34 2.06 3k2hB1 GLU 131 HG3 0.01 0.01 -0.02 -0.04 2.34 2.30 3k2hB1 VAL 132 H 0.03 0.60 -0.14 -0.55 8.24 8.17 3k2hB1 VAL 132 HA -0.07 0.03 0.31 -0.75 4.13 3.64 3k2hB1 VAL 132 HB 0.10 0.08 0.12 -0.04 2.12 2.38 3k2hB1 VAL 132 HG13 0.08 -0.01 -0.23 -0.04 0.97 0.77 3k2hB1 VAL 132 HG23 0.04 0.01 -0.06 -0.04 0.95 0.91 3k2hB1 LEU 133 H -0.01 0.59 -0.11 -0.55 8.37 8.29 3k2hB1 LEU 133 HA 0.04 -0.01 0.49 -0.75 4.35 4.11 3k2hB1 LEU 133 HB2 -0.09 0.05 0.15 -0.04 1.64 1.71 3k2hB1 LEU 133 HB3 -0.05 -0.01 0.03 -0.04 1.64 1.57 3k2hB1 LEU 133 HG -0.05 0.05 0.04 -0.04 1.64 1.64 3k2hB1 LEU 133 HD13 -0.39 0.00 -0.14 -0.04 0.93 0.36 3k2hB1 LEU 133 HD23 -0.12 -0.02 -0.06 -0.04 0.89 0.65 3k2hB1 ASP 134 H -0.03 0.71 0.07 -0.55 8.40 8.60 3k2hB1 ASP 134 HA -0.01 0.00 0.47 -0.75 4.63 4.34 3k2hB1 ASP 134 HB2 -0.02 0.09 0.13 -0.04 2.71 2.86 3k2hB1 ASP 134 HB3 -0.01 -0.06 0.07 -0.04 2.70 2.67 3k2hB1 ASN 135 H -0.08 0.27 -0.59 -0.55 8.53 7.59 3k2hB1 ASN 135 HA -0.05 0.18 0.85 -0.75 4.76 4.99 3k2hB1 ASN 135 HB2 -0.40 0.19 0.07 -0.04 2.88 2.71 3k2hB1 ASN 135 HB3 -0.45 -0.06 0.13 -0.04 2.79 2.36 3k2hB1 ASN 135 HD21 0.05 -0.10 -0.04 -0.04 7.03 6.90 3k2hB1 ASN 135 HD22 -0.12 0.41 0.10 -0.04 7.74 8.08 3k2hB1 GLY 136 H -0.01 0.39 -0.23 -0.55 8.43 8.04 3k2hB1 GLY 136 HA2 0.04 0.01 0.35 -0.51 4.01 3.90 3k2hB1 GLY 136 HA3 -0.00 0.03 0.35 -0.51 4.01 3.87 3k2hB1 LEU 137 H -0.03 0.56 -0.01 -0.55 8.37 8.35 3k2hB1 LEU 137 HA -0.01 0.06 0.38 -0.75 4.35 4.03 3k2hB1 LEU 137 HB2 -0.04 -0.07 0.06 -0.04 1.64 1.55 3k2hB1 LEU 137 HB3 -0.03 0.22 0.19 -0.04 1.64 1.98 3k2hB1 LEU 137 HG -0.25 0.00 -0.16 -0.04 1.64 1.19 3k2hB1 LEU 137 HD13 -0.42 -0.03 -0.07 -0.04 0.93 0.37 3k2hB1 LEU 137 HD23 -0.16 0.01 -0.18 -0.04 0.89 0.53 3k2hB1 CYS 138 H 0.12 0.12 -0.28 -0.55 8.50 7.92 3k2hB1 CYS 138 HA 0.13 0.37 1.05 -0.75 4.58 5.37 3k2hB1 CYS 138 HB2 0.12 -0.04 -0.09 -0.04 2.97 2.92 3k2hB1 CYS 138 HB3 0.21 -0.05 -0.00 -0.04 2.97 3.08 3k2hB1 ASP 139 H 0.15 0.26 0.16 -0.55 8.40 8.42 3k2hB1 ASP 139 HA 0.11 0.15 0.96 -0.75 4.63 5.10 3k2hB1 ASP 139 HB2 0.09 0.06 0.06 -0.04 2.71 2.88 3k2hB1 ASP 139 HB3 0.06 0.02 0.12 -0.04 2.70 2.86 3k2hB1 LYS 140 H 0.23 0.21 0.06 -0.55 8.42 8.37 3k2hB1 LYS 140 HA 0.21 0.28 0.92 -0.75 4.32 4.98 3k2hB1 LYS 140 HB2 0.13 0.04 -0.31 -0.04 1.87 1.69 3k2hB1 LYS 140 HB3 0.18 -0.04 -0.02 -0.04 1.79 1.87 3k2hB1 LYS 140 HG2 -0.10 -0.02 -0.22 -0.04 1.46 1.08 3k2hB1 LYS 140 HG3 -0.03 0.08 0.06 -0.04 1.46 1.52 3k2hB1 LYS 140 HD2 0.12 0.01 -0.07 -0.04 1.69 1.71 3k2hB1 LYS 140 HD3 0.29 0.01 -0.09 -0.04 1.68 1.86 3k2hB1 LYS 140 HE2 -0.18 -0.02 -0.07 -0.04 2.99 2.68 3k2hB1 LYS 140 HE3 -0.03 -0.01 -0.06 -0.04 2.99 2.85 3k2hB1 ILE 141 H 0.03 0.71 0.35 -0.55 8.25 8.78 3k2hB1 ILE 141 HA 0.02 0.22 1.10 -0.75 4.18 4.77 3k2hB1 ILE 141 HB -0.09 -0.10 0.07 -0.04 1.89 1.73 3k2hB1 ILE 141 HG12 -0.13 0.03 -0.16 -0.04 1.49 1.19 3k2hB1 ILE 141 HG13 -0.33 -0.07 -0.39 -0.04 1.21 0.38 3k2hB1 ILE 141 HG23 -0.16 -0.00 -0.27 -0.04 0.93 0.46 3k2hB1 ILE 141 HD13 -0.57 0.00 -0.14 -0.04 0.88 0.13 3k2hB1 TYR 142 H -0.05 0.93 0.36 -0.55 8.29 8.98 3k2hB1 TYR 142 HA -0.08 0.23 1.09 -0.75 4.56 5.04 3k2hB1 TYR 142 HB2 -1.84 0.04 0.33 -0.04 3.06 1.54 3k2hB1 TYR 142 HB3 -0.49 -0.04 0.07 -0.04 2.98 2.47 3k2hB1 TYR 142 HD2 -0.12 0.03 -0.07 -0.04 7.15 6.95 3k2hB1 TYR 142 HE2 0.11 -0.01 -0.09 -0.04 6.85 6.82 3k2hB1 LEU 143 H 0.08 0.71 0.28 -0.55 8.37 8.89 3k2hB1 LEU 143 HA -0.02 0.32 1.07 -0.75 4.35 4.97 3k2hB1 LEU 143 HB2 -0.07 -0.06 -0.31 -0.04 1.64 1.16 3k2hB1 LEU 143 HB3 0.13 -0.04 -0.03 -0.04 1.64 1.66 3k2hB1 LEU 143 HG -0.23 0.06 -0.09 -0.04 1.64 1.33 3k2hB1 LEU 143 HD13 -0.36 -0.01 -0.16 -0.04 0.93 0.36 3k2hB1 LEU 143 HD23 -0.01 -0.01 -0.45 -0.04 0.89 0.38 3k2hB1 THR 144 H 0.04 0.57 0.43 -0.55 8.28 8.78 3k2hB1 THR 144 HA -0.03 0.24 1.08 -0.75 4.39 4.93 3k2hB1 THR 144 HB 0.01 -0.13 0.29 -0.04 4.32 4.46 3k2hB1 THR 144 HG23 -0.21 -0.00 -0.11 -0.04 1.22 0.85 3k2hB1 ARG 145 H -0.10 0.59 0.32 -0.55 8.46 8.71 3k2hB1 ARG 145 HA -0.07 0.20 0.73 -0.75 4.34 4.45 3k2hB1 ARG 145 HB2 -0.05 -0.12 0.16 -0.04 1.90 1.85 3k2hB1 ARG 145 HB3 -0.01 0.07 -0.05 -0.04 1.80 1.76 3k2hB1 ARG 145 HG2 0.03 0.02 -0.18 -0.04 1.67 1.50 3k2hB1 ARG 145 HG3 0.00 0.02 -0.13 -0.04 1.67 1.52 3k2hB1 ARG 145 HD2 0.06 0.03 -0.07 -0.04 3.22 3.20 3k2hB1 ARG 145 HD3 0.06 -0.01 -0.09 -0.04 3.22 3.13 3k2hB1 LEU 146 H -0.17 0.62 0.31 -0.55 8.37 8.58 3k2hB1 LEU 146 HA -0.09 0.27 1.10 -0.75 4.35 4.87 3k2hB1 LEU 146 HB2 -0.41 0.01 0.11 -0.04 1.64 1.31 3k2hB1 LEU 146 HB3 -0.19 -0.05 0.05 -0.04 1.64 1.42 3k2hB1 LEU 146 HG -0.45 0.02 -0.11 -0.04 1.64 1.06 3k2hB1 LEU 146 HD13 -0.57 -0.02 -0.33 -0.04 0.93 -0.03 3k2hB1 LEU 146 HD23 -1.75 -0.01 -0.13 -0.04 0.89 -1.04 3k2hB1 ASN 147 H -0.02 0.66 0.31 -0.55 8.53 8.94 3k2hB1 ASN 147 HA -0.03 0.10 0.37 -0.75 4.76 4.44 3k2hB1 ASN 147 HB2 0.00 0.04 0.23 -0.04 2.88 3.11 3k2hB1 ASN 147 HB3 -0.00 -0.00 0.29 -0.04 2.79 3.04 3k2hB1 ASN 147 HD21 0.05 0.29 0.04 -0.04 7.03 7.37 3k2hB1 ASN 147 HD22 0.05 0.45 0.15 -0.04 7.74 8.34 3k2hB1 LYS 148 H 0.00 0.24 -0.63 -0.55 8.42 7.47 3k2hB1 LYS 148 HA -0.05 0.12 0.86 -0.75 4.32 4.50 3k2hB1 LYS 148 HB2 -0.01 0.03 -0.13 -0.04 1.87 1.71 3k2hB1 LYS 148 HB3 0.08 -0.05 -0.02 -0.04 1.79 1.76 3k2hB1 LYS 148 HG2 -0.55 0.18 -0.20 -0.04 1.46 0.85 3k2hB1 LYS 148 HG3 -0.18 -0.05 0.11 -0.04 1.46 1.30 3k2hB1 LYS 148 HD2 0.00 0.01 0.07 -0.04 1.69 1.73 3k2hB1 LYS 148 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.58 3k2hB1 LYS 148 HE2 -0.38 -0.01 0.03 -0.04 2.99 2.58 3k2hB1 LYS 148 HE3 -0.18 -0.04 0.06 -0.04 2.99 2.79 3k2hB1 GLU 149 H -0.08 0.20 0.16 -0.55 8.60 8.33 3k2hB1 GLU 149 HA 0.05 -0.16 0.77 -0.75 4.29 4.20 3k2hB1 GLU 149 HB2 -0.06 0.04 0.11 -0.04 2.09 2.14 3k2hB1 GLU 149 HB3 0.00 0.06 0.00 -0.04 1.99 2.02 3k2hB1 GLU 149 HG2 0.02 -0.12 -0.05 -0.04 2.34 2.15 3k2hB1 GLU 149 HG3 -0.03 0.03 0.02 -0.04 2.34 2.32 3k2hB1 TYR 150 H 0.20 0.12 0.17 -0.55 8.29 8.22 3k2hB1 TYR 150 HA 0.05 0.22 0.75 -0.75 4.56 4.83 3k2hB1 TYR 150 HB2 0.29 -0.12 -0.05 -0.04 3.06 3.14 3k2hB1 TYR 150 HB3 0.13 0.20 -0.12 -0.04 2.98 3.15 3k2hB1 TYR 150 HD2 0.12 0.06 -0.13 -0.04 7.15 7.16 3k2hB1 TYR 150 HE2 0.06 -0.03 -0.05 -0.04 6.85 6.78 3k2hB1 PRO 151 HA -0.03 0.03 0.56 -0.51 4.44 4.49 3k2hB1 PRO 151 HB2 -0.50 0.02 0.03 -0.04 2.28 1.78 3k2hB1 PRO 151 HB3 -0.13 0.02 0.10 -0.04 2.02 1.97 3k2hB1 PRO 151 HG2 -0.08 0.06 0.08 -0.04 2.03 2.04 3k2hB1 PRO 151 HG3 -0.05 0.03 0.06 -0.04 2.03 2.03 3k2hB1 PRO 151 HD2 0.10 0.18 0.21 -0.04 3.68 4.13 3k2hB1 PRO 151 HD3 -0.03 0.15 0.13 -0.04 3.65 3.86 3k2hB1 GLY 152 H -0.01 0.28 0.28 -0.55 8.43 8.44 3k2hB1 GLY 152 HA2 0.11 0.03 0.46 -0.51 4.01 4.11 3k2hB1 GLY 152 HA3 -0.08 0.03 0.41 -0.51 4.01 3.86 3k2hB1 ASP 153 H 0.03 0.50 0.51 -0.55 8.40 8.89 3k2hB1 ASP 153 HA 0.20 0.21 0.87 -0.75 4.63 5.16 3k2hB1 ASP 153 HB2 0.11 0.02 0.15 -0.04 2.71 2.95 3k2hB1 ASP 153 HB3 0.13 0.07 -0.06 -0.04 2.70 2.79 3k2hB1 THR 154 H -0.05 0.24 0.36 -0.55 8.28 8.28 3k2hB1 THR 154 HA 0.20 0.16 0.84 -0.75 4.39 4.84 3k2hB1 THR 154 HB 0.06 -0.06 0.20 -0.04 4.32 4.48 3k2hB1 THR 154 HG23 0.18 0.02 -0.01 -0.04 1.22 1.36 3k2hB1 TYR 155 H 0.34 0.19 0.16 -0.55 8.29 8.44 3k2hB1 TYR 155 HA 0.16 0.18 1.16 -0.75 4.56 5.31 3k2hB1 TYR 155 HB2 0.06 -0.07 -0.09 -0.04 3.06 2.91 3k2hB1 TYR 155 HB3 0.09 0.25 -0.11 -0.04 2.98 3.16 3k2hB1 TYR 155 HD2 0.07 0.01 -0.25 -0.04 7.15 6.94 3k2hB1 TYR 155 HE2 0.06 0.06 -0.14 -0.04 6.85 6.79 3k2hB1 PHE 156 H 0.35 0.60 0.21 -0.55 8.34 8.95 3k2hB1 PHE 156 HA 0.10 0.01 0.74 -0.75 4.62 4.72 3k2hB1 PHE 156 HB2 0.03 -0.05 0.02 -0.04 3.15 3.11 3k2hB1 PHE 156 HB3 0.01 0.04 0.03 -0.04 3.06 3.11 3k2hB1 PHE 156 HD2 -0.28 -0.04 -0.12 -0.04 7.28 6.81 3k2hB1 PHE 156 HE2 -0.97 -0.05 -0.13 -0.04 7.38 6.18 3k2hB1 PHE 156 HZ -0.36 -0.03 -0.13 -0.04 7.32 6.76 3k2hB1 PRO 157 HA -0.11 0.02 0.30 -0.51 4.44 4.14 3k2hB1 PRO 157 HB2 -0.36 0.12 -0.12 -0.04 2.28 1.88 3k2hB1 PRO 157 HB3 -0.16 -0.00 0.07 -0.04 2.02 1.89 3k2hB1 PRO 157 HG2 -0.24 -0.01 -0.16 -0.04 2.03 1.58 3k2hB1 PRO 157 HG3 -0.12 0.02 0.04 -0.04 2.03 1.93 3k2hB1 PRO 157 HD2 -1.37 0.09 0.07 -0.04 3.68 2.43 3k2hB1 PRO 157 HD3 -0.14 0.15 0.30 -0.04 3.65 3.91 3k2hB1 ASP 158 H -0.08 0.04 0.09 -0.55 8.40 7.90 3k2hB1 ASP 158 HA -0.01 0.10 0.46 -0.75 4.63 4.42 3k2hB1 ASP 158 HB2 -0.03 -0.06 0.04 -0.04 2.71 2.62 3k2hB1 ASP 158 HB3 -0.00 0.08 -0.07 -0.04 2.70 2.67 3k2hB1 ILE 159 H -0.04 0.13 0.08 -0.55 8.25 7.87 3k2hB1 ILE 159 HA -0.16 0.12 0.59 -0.75 4.18 3.99 3k2hB1 ILE 159 HB -0.17 -0.02 0.06 -0.04 1.89 1.72 3k2hB1 ILE 159 HG12 -0.33 -0.01 -0.10 -0.04 1.49 1.01 3k2hB1 ILE 159 HG13 -0.05 0.07 -0.11 -0.04 1.21 1.07 3k2hB1 ILE 159 HG23 -0.34 0.03 -0.17 -0.04 0.93 0.41 3k2hB1 ILE 159 HD13 -0.93 -0.01 -0.11 -0.04 0.88 -0.20 3k2hB1 PRO 160 HA 0.07 0.07 0.42 -0.51 4.44 4.48 3k2hB1 PRO 160 HB2 0.24 -0.10 0.03 -0.04 2.28 2.41 3k2hB1 PRO 160 HB3 0.09 0.05 0.11 -0.04 2.02 2.22 3k2hB1 PRO 160 HG2 0.20 0.09 0.07 -0.04 2.03 2.35 3k2hB1 PRO 160 HG3 0.06 0.09 0.04 -0.04 2.03 2.18 3k2hB1 PRO 160 HD2 0.04 0.06 0.16 -0.04 3.68 3.90 3k2hB1 PRO 160 HD3 -0.04 0.35 0.24 -0.04 3.65 4.15 3k2hB1 ASP 161 H 0.07 0.14 0.16 -0.55 8.40 8.23 3k2hB1 ASP 161 HA 0.10 0.00 0.43 -0.75 4.63 4.41 3k2hB1 ASP 161 HB2 0.04 0.00 0.12 -0.04 2.71 2.83 3k2hB1 ASP 161 HB3 0.04 0.04 0.08 -0.04 2.70 2.82 3k2hB1 THR 162 H 0.08 -0.01 -0.56 -0.55 8.28 7.24 3k2hB1 THR 162 HA -0.03 0.11 0.59 -0.75 4.39 4.31 3k2hB1 THR 162 HB -0.19 -0.04 0.08 -0.04 4.32 4.13 3k2hB1 THR 162 HG23 -0.02 0.00 0.01 -0.04 1.22 1.17 3k2hB1 PHE 163 H 0.28 0.51 -0.21 -0.55 8.34 8.36 3k2hB1 PHE 163 HA 0.07 0.11 0.82 -0.75 4.62 4.87 3k2hB1 PHE 163 HB2 0.10 0.15 -0.06 -0.04 3.15 3.30 3k2hB1 PHE 163 HB3 0.24 -0.03 -0.18 -0.04 3.06 3.06 3k2hB1 PHE 163 HD2 0.06 -0.00 -0.39 -0.04 7.28 6.90 3k2hB1 PHE 163 HE2 0.02 -0.03 -0.37 -0.04 7.38 6.96 3k2hB1 PHE 163 HZ 0.02 0.30 -0.14 -0.04 7.32 7.46 3k2hB1 GLU 164 H 0.23 0.57 0.30 -0.55 8.60 9.16 3k2hB1 GLU 164 HA 0.13 0.13 0.63 -0.75 4.29 4.42 3k2hB1 GLU 164 HB2 0.03 0.00 0.12 -0.04 2.09 2.20 3k2hB1 GLU 164 HB3 0.05 0.01 -0.18 -0.04 1.99 1.83 3k2hB1 GLU 164 HG2 0.03 -0.06 -0.06 -0.04 2.34 2.22 3k2hB1 GLU 164 HG3 -0.00 0.18 -0.42 -0.04 2.34 2.06 3k2hB1 ILE 165 H -0.12 0.15 0.14 -0.55 8.25 7.86 3k2hB1 ILE 165 HA -0.37 0.21 0.87 -0.75 4.18 4.14 3k2hB1 ILE 165 HB -0.19 -0.00 0.14 -0.04 1.89 1.79 3k2hB1 ILE 165 HG12 -1.11 0.01 -0.07 -0.04 1.49 0.27 3k2hB1 ILE 165 HG13 -1.04 -0.09 -0.05 -0.04 1.21 -0.01 3k2hB1 ILE 165 HG23 -0.15 0.01 -0.11 -0.04 0.93 0.64 3k2hB1 ILE 165 HD13 -0.24 0.01 -0.04 -0.04 0.88 0.57 3k2hB1 THR 166 H -0.11 0.60 0.51 -0.55 8.28 8.73 3k2hB1 THR 166 HA -0.05 0.41 1.00 -0.75 4.39 5.01 3k2hB1 THR 166 HB -0.03 -0.05 0.20 -0.04 4.32 4.40 3k2hB1 THR 166 HG23 -0.01 0.06 -0.07 -0.04 1.22 1.16 3k2hB1 ALA 167 H -0.07 0.23 0.36 -0.55 8.40 8.38 3k2hB1 ALA 167 HA -0.02 0.22 0.92 -0.75 4.34 4.70 3k2hB1 ALA 167 HB3 0.00 -0.00 0.02 -0.04 1.41 1.39 3k2hB1 ILE 168 H 0.05 0.62 0.28 -0.55 8.25 8.65 3k2hB1 ILE 168 HA 0.06 0.22 1.03 -0.75 4.18 4.75 3k2hB1 ILE 168 HB 0.28 -0.11 0.16 -0.04 1.89 2.17 3k2hB1 ILE 168 HG12 0.01 0.07 -0.05 -0.04 1.49 1.48 3k2hB1 ILE 168 HG13 0.07 -0.11 -0.51 -0.04 1.21 0.61 3k2hB1 ILE 168 HG23 0.12 0.07 -0.08 -0.04 0.93 1.00 3k2hB1 ILE 168 HD13 0.10 0.02 -0.06 -0.04 0.88 0.90 3k2hB1 SER 169 H 0.12 0.68 0.31 -0.55 8.46 9.02 3k2hB1 SER 169 HA 0.15 0.05 0.52 -0.75 4.49 4.45 3k2hB1 SER 169 HB2 0.43 0.03 0.16 -0.04 3.95 4.53 3k2hB1 SER 169 HB3 0.36 0.01 0.18 -0.04 3.93 4.44 3k2hB1 PRO 170 HA -0.26 -0.01 0.57 -0.51 4.44 4.22 3k2hB1 PRO 170 HB2 -0.77 0.09 -0.04 -0.04 2.28 1.52 3k2hB1 PRO 170 HB3 -0.25 0.01 0.20 -0.04 2.02 1.94 3k2hB1 PRO 170 HG2 0.03 0.02 0.08 -0.04 2.03 2.11 3k2hB1 PRO 170 HG3 -0.01 0.12 0.12 -0.04 2.03 2.21 3k2hB1 PRO 170 HD2 0.28 0.07 0.17 -0.04 3.68 4.16 3k2hB1 PRO 170 HD3 0.14 0.08 0.19 -0.04 3.65 4.02 3k2hB1 THR 171 H -0.48 -0.02 0.24 -0.55 8.28 7.46 3k2hB1 THR 171 HA -0.41 0.15 0.71 -0.75 4.39 4.08 3k2hB1 THR 171 HB -0.19 -0.05 0.10 -0.04 4.32 4.14 3k2hB1 THR 171 HG23 -0.14 0.10 0.00 -0.04 1.22 1.14 3k2hB1 PHE 172 H -0.49 0.78 0.48 -0.55 8.34 8.56 3k2hB1 PHE 172 HA -0.21 0.16 0.83 -0.75 4.62 4.65 3k2hB1 PHE 172 HB2 -1.19 -0.04 0.03 -0.04 3.15 1.92 3k2hB1 PHE 172 HB3 -0.23 -0.06 0.14 -0.04 3.06 2.88 3k2hB1 PHE 172 HD2 -0.22 0.00 -0.01 -0.04 7.28 7.02 3k2hB1 PHE 172 HE2 0.15 -0.04 -0.02 -0.04 7.38 7.43 3k2hB1 PHE 172 HZ 0.17 -0.02 -0.03 -0.04 7.32 7.40 3k2hB1 SER 173 H 0.05 0.23 0.30 -0.55 8.46 8.48 3k2hB1 SER 173 HA 0.02 0.02 0.73 -0.75 4.49 4.51 3k2hB1 SER 173 HB2 -0.02 0.15 0.13 -0.04 3.95 4.17 3k2hB1 SER 173 HB3 -0.04 -0.01 0.17 -0.04 3.93 4.01 3k2hB1 THR 174 H -0.05 0.33 0.28 -0.55 8.28 8.30 3k2hB1 THR 174 HA -0.06 0.21 0.75 -0.75 4.39 4.54 3k2hB1 THR 174 HB -0.42 -0.04 0.23 -0.04 4.32 4.04 3k2hB1 THR 174 HG23 -0.14 0.02 0.03 -0.04 1.22 1.10 3k2hB1 ASP 175 H -0.08 0.14 0.13 -0.55 8.40 8.05 3k2hB1 ASP 175 HA -0.01 0.25 0.56 -0.75 4.63 4.66 3k2hB1 ASP 175 HB2 0.04 0.06 0.12 -0.04 2.71 2.89 3k2hB1 ASP 175 HB3 0.04 -0.01 0.10 -0.04 2.70 2.79 3k2hB1 PHE 176 H -0.58 -0.10 -0.37 -0.55 8.34 6.74 3k2hB1 PHE 176 HA 0.06 0.25 0.86 -0.75 4.62 5.04 3k2hB1 PHE 176 HB2 0.13 0.02 0.08 -0.04 3.15 3.34 3k2hB1 PHE 176 HB3 0.08 0.03 -0.07 -0.04 3.06 3.05 3k2hB1 PHE 176 HD2 0.13 -0.00 -0.17 -0.04 7.28 7.19 3k2hB1 PHE 176 HE2 0.03 0.02 -0.08 -0.04 7.38 7.30 3k2hB1 PHE 176 HZ 0.03 0.12 -0.36 -0.04 7.32 7.07 3k2hB1 VAL 177 H -0.36 0.11 -0.02 -0.55 8.24 7.42 3k2hB1 VAL 177 HA 0.05 0.13 0.61 -0.75 4.13 4.17 3k2hB1 VAL 177 HB 0.33 0.08 -0.34 -0.04 2.12 2.16 3k2hB1 VAL 177 HG13 -0.19 -0.03 -0.21 -0.04 0.97 0.49 3k2hB1 VAL 177 HG23 0.06 0.08 0.02 -0.04 0.95 1.07 3k2hB1 SER 178 H 0.02 0.13 0.16 -0.55 8.46 8.22 3k2hB1 SER 178 HA 0.00 0.24 1.19 -0.75 4.49 5.17 3k2hB1 SER 178 HB2 -0.04 0.20 0.18 -0.04 3.95 4.24 3k2hB1 SER 178 HB3 0.00 -0.09 0.01 -0.04 3.93 3.82 3k2hB1 TYR 179 H -0.37 0.75 0.36 -0.55 8.29 8.48 3k2hB1 TYR 179 HA -0.16 0.27 0.83 -0.75 4.56 4.75 3k2hB1 TYR 179 HB2 -0.30 0.08 0.02 -0.04 3.06 2.82 3k2hB1 TYR 179 HB3 -0.23 -0.05 -0.22 -0.04 2.98 2.44 3k2hB1 TYR 179 HD2 -0.41 0.05 -0.34 -0.04 7.15 6.40 3k2hB1 TYR 179 HE2 -0.26 -0.03 -0.24 -0.04 6.85 6.27 3k2hB1 ASP 180 H -0.14 0.40 0.37 -0.55 8.40 8.48 3k2hB1 ASP 180 HA -0.46 0.15 0.39 -0.75 4.63 3.96 3k2hB1 ASP 180 HB2 -0.18 0.06 0.06 -0.04 2.71 2.62 3k2hB1 ASP 180 HB3 -0.26 -0.03 0.04 -0.04 2.70 2.41 3k2hB1 PHE 181 H -0.15 0.21 0.20 -0.55 8.34 8.05 3k2hB1 PHE 181 HA -0.15 0.24 1.03 -0.75 4.62 4.99 3k2hB1 PHE 181 HB2 -0.17 -0.05 0.04 -0.04 3.15 2.93 3k2hB1 PHE 181 HB3 -0.53 0.07 -0.01 -0.04 3.06 2.54 3k2hB1 PHE 181 HD2 -0.40 0.02 -0.04 -0.04 7.28 6.82 3k2hB1 PHE 181 HE2 -0.34 -0.02 -0.09 -0.04 7.38 6.89 3k2hB1 PHE 181 HZ -1.02 -0.05 -0.24 -0.04 7.32 5.98 3k2hB1 VAL 182 H 0.10 0.78 0.42 -0.55 8.24 8.98 3k2hB1 VAL 182 HA 0.05 0.25 1.03 -0.75 4.13 4.70 3k2hB1 VAL 182 HB -0.12 0.07 0.21 -0.04 2.12 2.24 3k2hB1 VAL 182 HG13 -0.02 -0.03 -0.10 -0.04 0.97 0.79 3k2hB1 VAL 182 HG23 0.06 0.00 -0.11 -0.04 0.95 0.86 3k2hB1 ILE 183 H -0.06 0.45 0.39 -0.55 8.25 8.48 3k2hB1 ILE 183 HA -0.17 0.43 1.05 -0.75 4.18 4.75 3k2hB1 ILE 183 HB -0.11 -0.14 0.16 -0.04 1.89 1.77 3k2hB1 ILE 183 HG12 -0.66 0.08 0.01 -0.04 1.49 0.88 3k2hB1 ILE 183 HG13 -0.04 -0.11 -0.29 -0.04 1.21 0.73 3k2hB1 ILE 183 HG23 -0.28 0.01 -0.12 -0.04 0.93 0.51 3k2hB1 ILE 183 HD13 -0.04 0.00 -0.06 -0.04 0.88 0.73 3k2hB1 TYR 184 H 0.15 0.51 0.31 -0.55 8.29 8.71 3k2hB1 TYR 184 HA 0.04 0.31 0.90 -0.75 4.56 5.05 3k2hB1 TYR 184 HB2 -0.10 -0.08 0.07 -0.04 3.06 2.90 3k2hB1 TYR 184 HB3 0.10 -0.00 -0.16 -0.04 2.98 2.88 3k2hB1 TYR 184 HD2 0.00 0.00 -0.26 -0.04 7.15 6.86 3k2hB1 TYR 184 HE2 -0.01 0.03 -0.15 -0.04 6.85 6.68 3k2hB1 GLU 185 H 0.18 0.63 0.31 -0.55 8.60 9.18 3k2hB1 GLU 185 HA 0.28 0.23 0.89 -0.75 4.29 4.94 3k2hB1 GLU 185 HB2 0.05 -0.01 0.01 -0.04 2.09 2.10 3k2hB1 GLU 185 HB3 0.06 0.12 0.08 -0.04 1.99 2.20 3k2hB1 GLU 185 HG2 0.05 0.05 0.05 -0.04 2.34 2.46 3k2hB1 GLU 185 HG3 0.02 -0.13 -0.36 -0.04 2.34 1.83 3k2hB1 ARG 186 H 0.01 0.53 0.16 -0.55 8.46 8.61 3k2hB1 ARG 186 HA -0.63 0.00 0.56 -0.75 4.34 3.51 3k2hB1 ARG 186 HB2 -0.41 0.00 0.19 -0.04 1.90 1.64 3k2hB1 ARG 186 HB3 -0.17 0.00 0.12 -0.04 1.80 1.70 3k2hB1 ARG 186 HG2 -0.25 -0.15 -0.01 -0.04 1.67 1.23 3k2hB1 ARG 186 HG3 -0.63 0.00 -0.00 -0.04 1.67 1.00 3k2hB1 ARG 186 HD2 -0.13 0.00 -0.01 -0.04 3.22 3.04 3k2hB1 ARG 186 HD3 -0.15 0.00 -0.00 -0.04 3.22 3.02 3k2hB1 LYS 187 H -0.14 0.70 0.39 -0.55 8.42 8.82 3k2hB1 LYS 187 HA -0.03 0.07 0.42 -0.75 4.32 4.03 3k2hB1 LYS 187 HB2 -0.05 -0.02 0.18 -0.04 1.87 1.93 3k2hB1 LYS 187 HB3 -0.03 0.00 0.03 -0.04 1.79 1.76 3k2hB1 LYS 187 HG2 0.00 -0.02 -0.01 -0.04 1.46 1.39 3k2hB1 LYS 187 HG3 -0.01 0.18 -0.08 -0.04 1.46 1.50 3k2hB1 LYS 187 HD2 -0.01 -0.05 -0.01 -0.04 1.69 1.59 3k2hB1 LYS 187 HD3 0.01 -0.02 -0.05 -0.04 1.68 1.58 3k2hB1 LYS 187 HE2 0.01 0.07 -0.15 -0.04 2.99 2.88 3k2hB1 LYS 187 HE3 0.00 -0.09 0.02 -0.04 2.99 2.88 3k2hB1 ASP 188 H -0.09 0.10 -0.08 -0.55 8.40 7.79 3k2hB1 ASP 188 HA -0.03 0.13 0.32 -0.75 4.63 4.30 3k2hB1 ASP 188 HB2 -0.03 0.04 0.12 -0.04 2.71 2.80 3k2hB1 ASP 188 HB3 -0.04 -0.01 0.09 -0.04 2.70 2.70 3k2hB1 CYS 189 H -0.05 0.15 -0.52 -0.55 8.50 7.53 3k2hB1 CYS 189 HA -0.01 0.20 0.62 -0.75 4.58 4.63 3k2hB1 CYS 189 HB2 -0.00 0.02 0.18 -0.04 2.97 3.13 3k2hB1 CYS 189 HB3 -0.02 0.01 0.01 -0.04 2.97 2.93 3k2hB1 LYS 190 H -0.02 0.26 -0.11 -0.55 8.42 7.99 3k2hB1 LYS 190 HA 0.01 0.11 0.50 -0.75 4.32 4.18 3k2hB1 PRO 196 HA 0.01 -0.02 0.19 -0.51 4.44 4.11 3k2hB1 PRO 196 HB2 0.02 -0.02 0.09 -0.04 2.28 2.33 3k2hB1 PRO 196 HB3 0.01 0.02 0.05 -0.04 2.02 2.06 3k2hB1 PRO 196 HG2 0.02 -0.03 0.04 -0.04 2.03 2.02 3k2hB1 PRO 196 HG3 0.01 0.02 0.03 -0.04 2.03 2.06 3k2hB1 PRO 196 HD2 0.02 -0.06 -0.07 -0.04 3.68 3.53 3k2hB1 PRO 196 HD3 0.01 0.01 0.03 -0.04 3.65 3.66 3k2hB1 PRO 197 HA 0.06 0.08 0.40 -0.51 4.44 4.47 3k2hB1 PRO 197 HB2 0.03 -0.13 0.03 -0.04 2.28 2.16 3k2hB1 PRO 197 HB3 0.04 0.04 0.12 -0.04 2.02 2.18 3k2hB1 PRO 197 HG2 0.01 0.04 0.08 -0.04 2.03 2.13 3k2hB1 PRO 197 HG3 0.02 0.09 0.09 -0.04 2.03 2.19 3k2hB1 PRO 197 HD2 0.00 0.06 0.14 -0.04 3.68 3.85 3k2hB1 PRO 197 HD3 0.01 0.21 0.19 -0.04 3.65 4.02 3k2hB1 PHE 198 H 0.19 0.15 0.20 -0.55 8.34 8.33 3k2hB1 PHE 198 HA -0.00 0.18 0.26 -0.75 4.62 4.30 3k2hB1 PHE 198 HB2 -0.00 0.07 0.16 -0.04 3.15 3.35 3k2hB1 PHE 198 HB3 -0.00 -0.03 0.14 -0.04 3.06 3.12 3k2hB1 PHE 198 HD2 -0.00 0.03 -0.02 -0.04 7.28 7.25 3k2hB1 PHE 198 HE2 -0.00 0.03 -0.02 -0.04 7.38 7.35 3k2hB1 PHE 198 HZ -0.00 0.02 -0.01 -0.04 7.32 7.29 3k2hB1 ASP 199 H 0.07 0.10 -0.13 -0.55 8.40 7.89 3k2hB1 ASP 199 HA -0.16 0.05 0.42 -0.75 4.63 4.19 3k2hB1 ASP 199 HB2 0.00 -0.01 0.03 -0.04 2.71 2.69 3k2hB1 ASP 199 HB3 -0.03 0.07 -0.04 -0.04 2.70 2.65 3k2hB1 GLN 200 H -0.05 0.25 -0.31 -0.55 8.47 7.81 3k2hB1 GLN 200 HA -0.06 0.04 0.38 -0.75 4.36 3.96 3k2hB1 GLN 200 HB2 -0.03 -0.03 0.09 -0.04 2.15 2.14 3k2hB1 GLN 200 HB3 -0.04 0.08 -0.08 -0.04 2.02 1.94 3k2hB1 GLN 200 HG2 -0.03 0.03 0.02 -0.04 2.40 2.37 3k2hB1 GLN 200 HG3 -0.03 -0.05 0.02 -0.04 2.39 2.29 3k2hB1 GLN 200 HE21 -0.01 0.01 -0.00 -0.04 6.97 6.92 3k2hB1 GLN 200 HE22 -0.02 0.02 -0.03 -0.04 7.69 7.62 3k2hB1 LEU 201 H -0.20 0.28 -0.32 -0.55 8.37 7.59 3k2hB1 LEU 201 HA -0.11 0.12 0.50 -0.75 4.35 4.11 3k2hB1 LEU 201 HB2 -0.30 0.02 0.16 -0.04 1.64 1.48 3k2hB1 LEU 201 HB3 -0.11 0.03 0.08 -0.04 1.64 1.60 3k2hB1 LEU 201 HG -0.03 0.02 -0.10 -0.04 1.64 1.49 3k2hB1 LEU 201 HD13 0.08 0.03 0.03 -0.04 0.93 1.03 3k2hB1 LEU 201 HD23 -0.02 0.00 -0.07 -0.04 0.89 0.76 3k2hB1 LEU 202 H -0.58 0.54 0.10 -0.55 8.37 7.88 3k2hB1 LEU 202 HA -0.28 0.07 0.42 -0.75 4.35 3.80 3k2hB1 LEU 202 HB2 -1.01 -0.02 0.08 -0.04 1.64 0.65 3k2hB1 LEU 202 HB3 -0.37 0.00 0.13 -0.04 1.64 1.37 3k2hB1 LEU 202 HG -0.10 0.01 -0.15 -0.04 1.64 1.37 3k2hB1 LEU 202 HD13 0.00 -0.00 0.03 -0.04 0.93 0.92 3k2hB1 LEU 202 HD23 0.03 -0.02 -0.03 -0.04 0.89 0.83 3k2hB1 MET 203 H -0.16 0.58 -0.22 -0.55 8.47 8.12 3k2hB1 MET 203 HA -0.07 0.04 0.27 -0.75 4.52 4.01 3k2hB1 MET 203 HB2 -0.07 0.15 0.06 -0.04 2.15 2.24 3k2hB1 MET 203 HB3 -0.05 -0.04 0.11 -0.04 2.03 2.01 3k2hB1 MET 203 HG2 -0.08 0.04 0.08 -0.04 2.63 2.63 3k2hB1 MET 203 HG3 -0.04 -0.06 -0.00 -0.04 2.56 2.42 3k2hB1 MET 203 HE3 -0.02 -0.00 0.00 -0.04 2.10 2.03 3k2hB1 THR 204 H -0.09 0.31 -0.59 -0.55 8.28 7.36 3k2hB1 THR 204 HA -0.05 0.08 0.66 -0.75 4.39 4.33 3k2hB1 THR 204 HB -0.04 -0.07 0.03 -0.04 4.32 4.19 3k2hB1 THR 204 HG23 -0.05 0.05 0.05 -0.04 1.22 1.22 3k2hB1 GLY 205 H -0.06 0.47 -0.15 -0.55 8.43 8.14 3k2hB1 GLY 205 HA2 -0.04 0.03 0.33 -0.51 4.01 3.82 3k2hB1 GLY 205 HA3 -0.03 0.03 0.50 -0.51 4.01 4.00 3k2hB1 THR 206 H -0.04 0.05 -0.47 -0.55 8.28 7.26 3k2hB1 THR 206 HA -0.02 0.16 0.78 -0.75 4.39 4.56 3k2hB1 THR 206 HB -0.02 -0.17 0.14 -0.04 4.32 4.22 3k2hB1 THR 206 HG23 -0.03 0.04 -0.12 -0.04 1.22 1.07 3k2hB1 ASP 207 H -0.01 0.10 0.06 -0.55 8.40 8.00 3k2hB1 ASP 207 HA -0.00 -0.03 0.30 -0.75 4.63 4.15 3k2hB1 ASP 207 HB2 -0.00 0.01 0.09 -0.04 2.71 2.77 3k2hB1 ASP 207 HB3 0.00 0.08 -0.20 -0.04 2.70 2.55 3k2hB1 ILE 208 H 0.02 0.06 0.14 -0.55 8.25 7.92 3k2hB1 ILE 208 HA -0.02 0.22 0.44 -0.75 4.18 4.06 3k2hB1 ILE 208 HB 0.12 -0.02 0.03 -0.04 1.89 1.98 3k2hB1 ILE 208 HG12 0.06 -0.01 0.09 -0.04 1.49 1.60 3k2hB1 ILE 208 HG13 0.07 -0.03 -0.01 -0.04 1.21 1.20 3k2hB1 ILE 208 HG23 -0.04 0.02 -0.10 -0.04 0.93 0.77 3k2hB1 ILE 208 HD13 0.19 -0.01 -0.02 -0.04 0.88 1.01 3k2hB1 SER 209 H 0.02 0.01 -0.19 -0.55 8.46 7.76 3k2hB1 SER 209 HA 0.02 0.17 0.71 -0.75 4.49 4.64 3k2hB1 SER 209 HB2 0.02 0.03 0.02 -0.04 3.95 3.98 3k2hB1 SER 209 HB3 0.03 -0.01 0.01 -0.04 3.93 3.92 3k2hB1 VAL 210 H 0.01 0.29 -0.17 -0.55 8.24 7.82 3k2hB1 VAL 210 HA 0.01 0.15 0.79 -0.75 4.13 4.33 3k2hB1 PRO 211 HA 0.01 -0.04 0.36 -0.51 4.44 4.25 3k2hB1 PRO 211 HB2 0.00 0.13 -0.04 -0.04 2.28 2.33 3k2hB1 PRO 211 HB3 0.00 -0.04 0.06 -0.04 2.02 2.01 3k2hB1 PRO 211 HG2 0.03 0.04 0.06 -0.04 2.03 2.12 3k2hB1 PRO 211 HG3 0.01 -0.01 0.06 -0.04 2.03 2.06 3k2hB1 PRO 211 HD2 0.02 0.05 0.22 -0.04 3.68 3.93 3k2hB1 PRO 211 HD3 0.01 0.21 0.14 -0.04 3.65 3.97 3k2hB1 LYS 212 H -0.00 0.00 0.14 -0.55 8.42 8.00 3k2hB1 LYS 212 HA 0.01 0.09 0.37 -0.75 4.32 4.04 3k2hB1 PRO 213 HA -0.05 0.07 0.45 -0.51 4.44 4.40 3k2hB1 PRO 213 HB2 -0.04 0.09 -0.02 -0.04 2.28 2.27 3k2hB1 PRO 213 HB3 0.02 0.01 0.11 -0.04 2.02 2.13 3k2hB1 PRO 213 HG2 0.01 0.02 -0.01 -0.04 2.03 2.01 3k2hB1 PRO 213 HG3 0.06 0.02 0.05 -0.04 2.03 2.13 3k2hB1 PRO 213 HD2 0.01 0.04 0.18 -0.04 3.68 3.87 3k2hB1 PRO 213 HD3 0.06 0.15 0.13 -0.04 3.65 3.95 3k2hB1 LYS 214 H -0.15 0.14 0.19 -0.55 8.42 8.04 3k2hB1 LYS 214 HA -0.20 0.08 0.39 -0.75 4.32 3.83 3k2hB1 LYS 214 HB2 -0.15 0.04 0.18 -0.04 1.87 1.90 3k2hB1 LYS 214 HB3 -0.17 0.01 0.06 -0.04 1.79 1.64 3k2hB1 LYS 214 HG2 -0.75 -0.04 -0.09 -0.04 1.46 0.54 3k2hB1 LYS 214 HG3 -0.35 -0.01 0.07 -0.04 1.46 1.12 3k2hB1 LYS 214 HD2 -0.11 -0.06 0.01 -0.04 1.69 1.48 3k2hB1 LYS 214 HD3 -0.12 -0.02 0.03 -0.04 1.68 1.53 3k2hB1 LYS 214 HE2 -0.03 -0.05 0.05 -0.04 2.99 2.92 3k2hB1 LYS 214 HE3 -0.08 0.04 0.10 -0.04 2.99 3.01 3k2hB1 TYR 215 H -0.02 0.13 -0.16 -0.55 8.29 7.69 3k2hB1 TYR 215 HA -0.06 0.16 0.82 -0.75 4.56 4.72 3k2hB1 TYR 215 HB2 -0.11 0.11 0.07 -0.04 3.06 3.09 3k2hB1 TYR 215 HB3 -0.08 -0.03 -0.10 -0.04 2.98 2.72 3k2hB1 TYR 215 HD2 -0.11 0.02 -0.24 -0.04 7.15 6.79 3k2hB1 TYR 215 HE2 -0.10 0.03 -0.09 -0.04 6.85 6.65 3k2hB1 VAL 216 H 0.03 0.27 0.05 -0.55 8.24 8.04 3k2hB1 VAL 216 HA 0.02 0.11 0.75 -0.75 4.13 4.25 3k2hB1 VAL 216 HB -0.01 -0.04 -0.02 -0.04 2.12 2.01 3k2hB1 VAL 216 HG13 -0.01 0.04 -0.16 -0.04 0.97 0.79 3k2hB1 VAL 216 HG23 -0.02 0.02 -0.30 -0.04 0.95 0.61 3k2hB1 ALA 217 H 0.02 0.10 0.02 -0.55 8.40 8.00 3k2hB1 ALA 217 HA 0.02 0.15 0.60 -0.75 4.34 4.35 3k2hB1 ALA 217 HB3 0.06 0.02 -0.00 -0.04 1.41 1.44 3k2hB1 CYS 218 H 0.02 0.43 0.29 -0.55 8.50 8.69 3k2hB1 CYS 218 HA 0.02 0.02 0.35 -0.75 4.58 4.22 3k2hB1 CYS 218 HB2 0.28 0.06 -0.22 -0.04 2.97 3.04 3k2hB1 CYS 218 HB3 0.12 -0.11 0.07 -0.04 2.97 3.01 3k2hB1 PRO 219 HA -0.02 0.13 0.13 -0.51 4.44 4.17 3k2hB1 PRO 219 HB2 -0.02 0.00 -0.08 -0.04 2.28 2.14 3k2hB1 PRO 219 HB3 -0.02 0.03 0.01 -0.04 2.02 1.99 3k2hB1 PRO 219 HG2 -0.01 -0.02 0.04 -0.04 2.03 2.00 3k2hB1 PRO 219 HG3 -0.02 0.07 0.02 -0.04 2.03 2.06 3k2hB1 PRO 219 HD2 -0.00 0.05 0.16 -0.04 3.68 3.84 3k2hB1 PRO 219 HD3 0.00 0.30 -0.07 -0.04 3.65 3.84 3k2hB1 GLY 220 H -0.01 0.04 -0.30 -0.55 8.43 7.62 3k2hB1 GLY 220 HA2 -0.02 0.03 0.36 -0.51 4.01 3.87 3k2hB1 GLY 220 HA3 -0.02 -0.04 0.24 -0.51 4.01 3.69 3k2hB1 VAL 221 H -0.04 0.56 -0.28 -0.55 8.24 7.93 3k2hB1 VAL 221 HA -0.06 -0.01 0.72 -0.75 4.13 4.03 3k2hB1 VAL 221 HB -0.09 0.14 0.08 -0.04 2.12 2.21 3k2hB1 VAL 221 HG13 -0.10 -0.08 -0.37 -0.04 0.97 0.38 3k2hB1 VAL 221 HG23 0.05 -0.02 -0.15 -0.04 0.95 0.78 3k2hB1 ARG 222 H -0.06 0.41 0.38 -0.55 8.46 8.64 3k2hB1 ARG 222 HA -0.09 0.18 0.67 -0.75 4.34 4.34 3k2hB1 ILE 223 H -0.07 0.45 0.30 -0.55 8.25 8.38 3k2hB1 ILE 223 HA -0.07 0.20 1.02 -0.75 4.18 4.58 3k2hB1 ILE 223 HB 0.00 -0.13 0.25 -0.04 1.89 1.97 3k2hB1 ILE 223 HG12 -0.01 0.08 -0.05 -0.04 1.49 1.47 3k2hB1 ILE 223 HG13 -0.02 -0.00 -0.13 -0.04 1.21 1.03 3k2hB1 ILE 223 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.81 3k2hB1 ILE 223 HD13 0.03 -0.01 -0.03 -0.04 0.88 0.83 3k2hB1 ARG 224 H -0.12 0.21 0.00 -0.55 8.46 8.00 3k2hB1 ARG 224 HA -0.40 0.11 0.54 -0.75 4.34 3.84 3k2hB1 ARG 224 HB2 -0.31 0.00 0.11 -0.04 1.90 1.66 3k2hB1 ARG 224 HB3 -1.03 -0.04 0.06 -0.04 1.80 0.75 3k2hB1 ARG 224 HG2 -0.85 0.04 -0.26 -0.04 1.67 0.55 3k2hB1 ARG 224 HG3 -0.33 -0.15 -0.74 -0.04 1.67 0.40 3k2hB1 ARG 224 HD2 -0.23 0.27 0.02 -0.04 3.22 3.24 3k2hB1 ARG 224 HD3 -0.23 -0.09 -0.01 -0.04 3.22 2.85 3k2hB1 ASN 225 H 0.07 0.56 0.13 -0.55 8.53 8.75 3k2hB1 ASN 225 HA 0.06 0.13 0.47 -0.75 4.76 4.67 3k2hB1 ASN 225 HB2 0.08 0.13 0.18 -0.04 2.88 3.23 3k2hB1 ASN 225 HB3 0.06 -0.06 0.09 -0.04 2.79 2.84 3k2hB1 ASN 225 HD21 0.06 0.01 -0.05 -0.04 7.03 7.02 3k2hB1 ASN 225 HD22 0.11 -0.02 -0.02 -0.04 7.74 7.77 3k2hB1 HIS 226 H 0.35 0.16 -0.15 -0.55 8.41 8.22 3k2hB1 HIS 226 HA -0.11 -0.01 0.58 -0.75 4.63 4.34 3k2hB1 HIS 226 HB2 -0.02 0.17 0.03 -0.04 3.26 3.40 3k2hB1 HIS 226 HB3 -0.17 -0.07 0.05 -0.04 3.20 2.96 3k2hB1 HIS 226 HD2 -0.24 0.10 -0.25 -0.04 6.97 6.53 3k2hB1 HIS 226 HE1 -2.48 0.00 0.01 -0.04 7.75 5.23 3k2hB1 GLU 227 H -0.05 0.13 0.27 -0.55 8.60 8.40 3k2hB1 GLU 227 HA 0.09 0.16 0.48 -0.75 4.29 4.26 3k2hB1 GLU 227 HB2 0.56 -0.04 0.14 -0.04 2.09 2.70 3k2hB1 GLU 227 HB3 0.30 0.03 0.14 -0.04 1.99 2.42 3k2hB1 GLU 227 HG2 -0.02 0.12 0.21 -0.04 2.34 2.61 3k2hB1 GLU 227 HG3 0.02 0.05 0.23 -0.04 2.34 2.61 3k2hB1 GLU 228 H 0.35 0.10 -0.35 -0.55 8.60 8.16 3k2hB1 GLU 228 HA 0.27 0.03 0.48 -0.75 4.29 4.32 3k2hB1 GLU 228 HB2 -0.49 0.02 0.05 -0.04 2.09 1.63 3k2hB1 GLU 228 HB3 -0.83 0.11 -0.03 -0.04 1.99 1.20 3k2hB1 GLU 228 HG2 -0.21 0.09 -0.07 -0.04 2.34 2.11 3k2hB1 GLU 228 HG3 0.06 -0.05 0.09 -0.04 2.34 2.39 3k2hB1 PHE 229 H 0.01 0.57 -0.32 -0.55 8.34 8.05 3k2hB1 PHE 229 HA -0.03 0.03 0.41 -0.75 4.62 4.27 3k2hB1 PHE 229 HB2 -0.01 0.26 0.05 -0.04 3.15 3.41 3k2hB1 PHE 229 HB3 -0.02 0.01 0.02 -0.04 3.06 3.03 3k2hB1 PHE 229 HD2 -0.03 0.03 -0.07 -0.04 7.28 7.17 3k2hB1 PHE 229 HE2 -0.05 0.02 -0.06 -0.04 7.38 7.24 3k2hB1 PHE 229 HZ -0.09 0.01 -0.06 -0.04 7.32 7.15 3k2hB1 GLN 230 H 0.14 0.40 -0.38 -0.55 8.47 8.09 3k2hB1 GLN 230 HA 0.04 0.09 0.35 -0.75 4.36 4.08 3k2hB1 GLN 230 HB2 0.05 0.11 0.18 -0.04 2.15 2.45 3k2hB1 GLN 230 HB3 -0.03 -0.06 0.04 -0.04 2.02 1.93 3k2hB1 GLN 230 HG2 -0.05 0.02 0.11 -0.04 2.40 2.44 3k2hB1 GLN 230 HG3 -0.00 0.04 0.11 -0.04 2.39 2.50 3k2hB1 GLN 230 HE21 -0.84 0.33 0.22 -0.04 6.97 6.64 3k2hB1 GLN 230 HE22 -0.16 0.30 0.28 -0.04 7.69 8.07 3k2hB1 TYR 231 H 0.24 0.25 -0.18 -0.55 8.29 8.05 3k2hB1 TYR 231 HA -0.03 0.02 0.39 -0.75 4.56 4.19 3k2hB1 TYR 231 HB2 0.12 -0.03 0.04 -0.04 3.06 3.15 3k2hB1 TYR 231 HB3 0.06 0.13 0.14 -0.04 2.98 3.27 3k2hB1 TYR 231 HD2 -0.02 0.01 -0.12 -0.04 7.15 6.98 3k2hB1 TYR 231 HE2 -0.03 0.01 -0.08 -0.04 6.85 6.72 3k2hB1 LEU 232 H 0.09 0.56 -0.03 -0.55 8.37 8.44 3k2hB1 LEU 232 HA -0.19 -0.00 0.45 -0.75 4.35 3.85 3k2hB1 LEU 232 HB2 0.06 0.07 0.08 -0.04 1.64 1.81 3k2hB1 LEU 232 HB3 -0.01 0.01 0.06 -0.04 1.64 1.67 3k2hB1 LEU 232 HG -0.02 0.09 -0.02 -0.04 1.64 1.66 3k2hB1 LEU 232 HD13 -0.30 0.02 -0.06 -0.04 0.93 0.54 3k2hB1 LEU 232 HD23 0.04 -0.03 -0.09 -0.04 0.89 0.77 3k2hB1 ASP 233 H 0.00 0.65 -0.27 -0.55 8.40 8.23 3k2hB1 ASP 233 HA -0.02 0.01 0.38 -0.75 4.63 4.24 3k2hB1 ASP 233 HB2 0.00 0.10 0.17 -0.04 2.71 2.94 3k2hB1 ASP 233 HB3 -0.01 -0.04 0.00 -0.04 2.70 2.61 3k2hB1 ILE 234 H -0.18 0.47 -0.13 -0.55 8.25 7.87 3k2hB1 ILE 234 HA -0.36 0.04 0.44 -0.75 4.18 3.55 3k2hB1 ILE 234 HB -0.37 0.08 0.14 -0.04 1.89 1.70 3k2hB1 ILE 234 HG12 -0.72 -0.02 0.01 -0.04 1.49 0.72 3k2hB1 ILE 234 HG13 -0.21 0.21 0.12 -0.04 1.21 1.29 3k2hB1 ILE 234 HG23 -0.81 -0.03 -0.18 -0.04 0.93 -0.12 3k2hB1 ILE 234 HD13 -0.23 -0.04 -0.10 -0.04 0.88 0.47 3k2hB1 LEU 235 H -0.42 0.62 -0.12 -0.55 8.37 7.91 3k2hB1 LEU 235 HA -0.26 -0.08 0.41 -0.75 4.35 3.67 3k2hB1 LEU 235 HB2 -0.28 0.21 0.13 -0.04 1.64 1.65 3k2hB1 LEU 235 HB3 -0.22 -0.04 -0.08 -0.04 1.64 1.25 3k2hB1 LEU 235 HG -0.97 0.17 -0.02 -0.04 1.64 0.78 3k2hB1 LEU 235 HD13 -0.16 -0.00 -0.08 -0.04 0.93 0.64 3k2hB1 LEU 235 HD23 -0.24 -0.03 -0.13 -0.04 0.89 0.46 3k2hB1 ALA 236 H -0.13 0.63 -0.16 -0.55 8.40 8.19 3k2hB1 ALA 236 HA -0.07 -0.06 0.27 -0.75 4.34 3.73 3k2hB1 ALA 236 HB3 -0.01 0.11 -0.03 -0.04 1.41 1.43 3k2hB1 ASP 237 H -0.07 0.51 -0.29 -0.55 8.40 8.00 3k2hB1 ASP 237 HA 0.09 0.06 0.51 -0.75 4.63 4.53 3k2hB1 ASP 237 HB2 0.07 0.09 0.08 -0.04 2.71 2.90 3k2hB1 ASP 237 HB3 0.03 0.01 0.13 -0.04 2.70 2.83 3k2hB1 VAL 238 H -0.08 0.64 -0.02 -0.55 8.24 8.22 3k2hB1 VAL 238 HA 0.08 0.03 0.46 -0.75 4.13 3.95 3k2hB1 VAL 238 HB -0.08 0.03 0.00 -0.04 2.12 2.03 3k2hB1 VAL 238 HG13 0.07 -0.05 -0.26 -0.04 0.97 0.68 3k2hB1 VAL 238 HG23 -0.04 0.05 -0.11 -0.04 0.95 0.81 3k2hB1 LEU 239 H -0.17 0.60 -0.11 -0.55 8.37 8.13 3k2hB1 LEU 239 HA -0.40 -0.01 0.47 -0.75 4.35 3.66 3k2hB1 LEU 239 HB2 -0.40 0.11 0.04 -0.04 1.64 1.35 3k2hB1 LEU 239 HB3 -1.22 -0.03 -0.09 -0.04 1.64 0.27 3k2hB1 LEU 239 HG -0.32 0.05 -0.03 -0.04 1.64 1.30 3k2hB1 LEU 239 HD13 -0.58 -0.02 -0.21 -0.04 0.93 0.08 3k2hB1 LEU 239 HD23 -0.45 -0.03 -0.04 -0.04 0.89 0.33 3k2hB1 SER 240 H -0.08 0.52 -0.21 -0.55 8.46 8.15 3k2hB1 SER 240 HA -0.03 -0.02 0.60 -0.75 4.49 4.28 3k2hB1 SER 240 HB2 -0.32 0.10 0.23 -0.04 3.95 3.92 3k2hB1 SER 240 HB3 -0.70 -0.10 0.12 -0.04 3.93 3.20 3k2hB1 HIS 241 H -0.00 0.37 -0.10 -0.55 8.41 8.13 3k2hB1 HIS 241 HA 0.04 0.18 0.88 -0.75 4.63 4.98 3k2hB1 HIS 241 HB2 0.05 0.07 0.04 -0.04 3.26 3.38 3k2hB1 HIS 241 HB3 0.04 -0.07 0.10 -0.04 3.20 3.23 3k2hB1 HIS 241 HD2 0.02 0.02 -0.03 -0.04 6.97 6.93 3k2hB1 HIS 241 HE1 0.02 0.00 0.00 -0.04 7.75 7.73 3k2hB1 GLY 242 H 0.07 0.28 0.05 -0.55 8.43 8.28 3k2hB1 GLY 242 HA2 0.14 0.08 0.44 -0.51 4.01 4.15 3k2hB1 GLY 242 HA3 0.14 -0.03 0.21 -0.51 4.01 3.83 3k2hB1 VAL 243 H 0.11 0.65 0.44 -0.55 8.24 8.88 3k2hB1 VAL 243 HA 0.12 0.16 0.94 -0.75 4.13 4.60 3k2hB1 VAL 243 HB 0.04 -0.02 0.20 -0.04 2.12 2.29 3k2hB1 VAL 243 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 3k2hB1 VAL 243 HG23 0.06 0.02 0.05 -0.04 0.95 1.04 3k2hB1 LEU 244 H 0.04 0.18 0.14 -0.55 8.37 8.17 3k2hB1 LEU 244 HA -0.37 0.08 0.43 -0.75 4.35 3.74 3k2hB1 LEU 244 HB2 -0.46 0.04 0.05 -0.04 1.64 1.23 3k2hB1 LEU 244 HB3 -0.14 0.01 0.12 -0.04 1.64 1.58 3k2hB1 LEU 244 HG -0.25 0.00 -0.27 -0.04 1.64 1.09 3k2hB1 LEU 244 HD13 -0.94 -0.01 -0.30 -0.04 0.93 -0.36 3k2hB1 LEU 244 HD23 -0.17 -0.00 -0.06 -0.04 0.89 0.62 3k2hB1 LYS 245 H -0.16 0.65 0.37 -0.55 8.42 8.73 3k2hB1 LYS 245 HA -0.07 0.21 0.98 -0.75 4.32 4.69 3k2hB1 LYS 245 HB2 -0.08 -0.05 0.09 -0.04 1.87 1.79 3k2hB1 LYS 245 HB3 -0.06 0.09 0.09 -0.04 1.79 1.87 3k2hB1 LYS 245 HG2 -0.04 0.08 -0.22 -0.04 1.46 1.24 3k2hB1 LYS 245 HG3 -0.03 0.13 -0.24 -0.04 1.46 1.28 3k2hB1 LYS 245 HD2 -0.03 -0.00 -0.00 -0.04 1.69 1.61 3k2hB1 LYS 245 HD3 -0.02 -0.01 -0.04 -0.04 1.68 1.57 3k2hB1 LYS 245 HE2 -0.00 -0.01 -0.04 -0.04 2.99 2.89 3k2hB1 LYS 245 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.87 3k2hB1 PRO 246 HA -0.04 -0.01 0.61 -0.51 4.44 4.49 3k2hB1 PRO 246 HB2 -0.02 0.04 -0.06 -0.04 2.28 2.21 3k2hB1 PRO 246 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 3k2hB1 PRO 246 HG2 -0.03 0.06 0.05 -0.04 2.03 2.07 3k2hB1 PRO 246 HG3 -0.03 0.02 0.03 -0.04 2.03 2.00 3k2hB1 PRO 246 HD2 -0.04 0.11 0.20 -0.04 3.68 3.92 3k2hB1 PRO 246 HD3 -0.05 0.20 0.14 -0.04 3.65 3.90 3k2hB1 ASN 247 H -0.00 0.18 0.08 -0.55 8.53 8.25 3k2hB1 ASN 247 HA -0.01 0.21 0.49 -0.75 4.76 4.69 3k2hB1 ASN 247 HB2 -0.02 -0.10 0.12 -0.04 2.88 2.84 3k2hB1 ASN 247 HB3 -0.09 0.20 -0.19 -0.04 2.79 2.66 3k2hB1 ASN 247 HD21 0.11 0.36 -0.04 -0.04 7.03 7.41 3k2hB1 ASN 247 HD22 -0.15 0.09 -0.17 -0.04 7.74 7.46 3k2hB1 ARG 248 H 0.04 0.18 0.11 -0.55 8.46 8.24 3k2hB1 ARG 248 HA 0.04 0.13 0.29 -0.75 4.34 4.05 3k2hB1 ARG 248 HB2 0.07 0.03 0.10 -0.04 1.90 2.06 3k2hB1 ARG 248 HB3 0.10 -0.06 0.12 -0.04 1.80 1.92 3k2hB1 ARG 248 HG2 0.11 0.04 -0.18 -0.04 1.67 1.60 3k2hB1 ARG 248 HG3 0.07 0.05 0.02 -0.04 1.67 1.77 3k2hB1 ARG 248 HD2 0.17 0.09 -0.01 -0.04 3.22 3.43 3k2hB1 ARG 248 HD3 0.13 0.00 0.01 -0.04 3.22 3.32 3k2hB1 THR 249 H 0.10 -0.00 -0.25 -0.55 8.28 7.58 3k2hB1 THR 249 HA 0.09 0.28 0.29 -0.75 4.39 4.30 3k2hB1 THR 249 HB -0.01 0.00 -0.09 -0.04 4.32 4.18 3k2hB1 THR 249 HG23 0.08 -0.02 -0.07 -0.04 1.22 1.17 3k2hB1 GLY 250 H 0.04 0.30 -0.39 -0.55 8.43 7.84 3k2hB1 GLY 250 HA2 0.02 0.02 0.28 -0.51 4.01 3.82 3k2hB1 GLY 250 HA3 0.02 0.17 0.60 -0.51 4.01 4.29 3k2hB1 THR 251 H 0.04 0.05 -0.51 -0.55 8.28 7.31 3k2hB1 THR 251 HA 0.02 0.18 0.84 -0.75 4.39 4.68 3k2hB1 THR 251 HB -0.01 -0.07 0.07 -0.04 4.32 4.27 3k2hB1 THR 251 HG23 0.03 0.03 -0.06 -0.04 1.22 1.19 3k2hB1 ASP 252 H 0.01 0.14 0.04 -0.55 8.40 8.04 3k2hB1 ASP 252 HA -0.04 0.12 0.29 -0.75 4.63 4.25 3k2hB1 ASP 252 HB2 -0.09 -0.07 0.02 -0.04 2.71 2.53 3k2hB1 ASP 252 HB3 -0.15 0.08 -0.11 -0.04 2.70 2.48 3k2hB1 ALA 253 H -0.16 0.67 0.28 -0.55 8.40 8.64 3k2hB1 ALA 253 HA -0.15 0.07 0.63 -0.75 4.34 4.13 3k2hB1 ALA 253 HB3 -0.45 -0.02 -0.27 -0.04 1.41 0.63 3k2hB1 TYR 254 H 0.06 0.46 0.16 -0.55 8.29 8.43 3k2hB1 TYR 254 HA -0.01 0.18 0.33 -0.75 4.56 4.30 3k2hB1 TYR 254 HB2 -0.04 -0.10 0.07 -0.04 3.06 2.95 3k2hB1 TYR 254 HB3 -0.01 0.18 -0.17 -0.04 2.98 2.94 3k2hB1 TYR 254 HD2 -0.01 0.12 -0.15 -0.04 7.15 7.07 3k2hB1 TYR 254 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.78 3k2hB1 SER 255 H 0.11 0.51 0.28 -0.55 8.46 8.82 3k2hB1 SER 255 HA 0.14 0.27 1.02 -0.75 4.49 5.17 3k2hB1 SER 255 HB2 0.02 -0.10 -0.22 -0.04 3.95 3.61 3k2hB1 SER 255 HB3 0.02 0.14 0.12 -0.04 3.93 4.17 3k2hB1 LYS 256 H 0.17 0.85 0.47 -0.55 8.42 9.36 3k2hB1 LYS 256 HA 0.13 0.11 0.51 -0.75 4.32 4.31 3k2hB1 LYS 256 HB2 0.17 -0.02 -0.11 -0.04 1.87 1.87 3k2hB1 LYS 256 HB3 0.32 -0.02 -0.06 -0.04 1.79 2.00 3k2hB1 LYS 256 HG2 0.03 0.04 0.03 -0.04 1.46 1.51 3k2hB1 LYS 256 HG3 0.09 0.02 0.16 -0.04 1.46 1.68 3k2hB1 LYS 256 HD2 0.15 0.09 -0.27 -0.04 1.69 1.62 3k2hB1 LYS 256 HD3 0.22 -0.04 -0.19 -0.04 1.68 1.63 3k2hB1 LYS 256 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 3k2hB1 LYS 256 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 3k2hB1 PHE 257 H 0.11 0.24 0.17 -0.55 8.34 8.31 3k2hB1 PHE 257 HA -0.01 0.34 0.85 -0.75 4.62 5.04 3k2hB1 PHE 257 HB2 -0.02 -0.06 -0.06 -0.04 3.15 2.98 3k2hB1 PHE 257 HB3 -0.06 0.02 0.13 -0.04 3.06 3.10 3k2hB1 PHE 257 HD2 -0.03 -0.00 -0.19 -0.04 7.28 7.01 3k2hB1 PHE 257 HE2 -0.02 -0.02 -0.04 -0.04 7.38 7.25 3k2hB1 PHE 257 HZ -0.02 -0.02 -0.02 -0.04 7.32 7.22 3k2hB1 GLY 258 H -0.42 0.50 0.30 -0.55 8.43 8.26 3k2hB1 GLY 258 HA2 -0.53 0.08 0.56 -0.51 4.01 3.61 3k2hB1 GLY 258 HA3 -0.47 0.05 0.49 -0.51 4.01 3.57 3k2hB1 TYR 259 H -0.14 0.49 0.43 -0.55 8.29 8.52 3k2hB1 TYR 259 HA -0.11 0.19 0.59 -0.75 4.56 4.47 3k2hB1 TYR 259 HB2 -0.13 -0.12 0.01 -0.04 3.06 2.78 3k2hB1 TYR 259 HB3 -0.10 -0.00 0.06 -0.04 2.98 2.89 3k2hB1 TYR 259 HD2 -0.08 -0.05 -0.11 -0.04 7.15 6.87 3k2hB1 TYR 259 HE2 -0.02 0.01 -0.16 -0.04 6.85 6.63 3k2hB1 GLN 260 H 0.03 0.29 0.14 -0.55 8.47 8.39 3k2hB1 GLN 260 HA -0.07 0.26 0.85 -0.75 4.36 4.65 3k2hB1 GLN 260 HB2 -0.07 0.01 -0.11 -0.04 2.15 1.94 3k2hB1 GLN 260 HB3 -0.06 -0.00 0.07 -0.04 2.02 1.98 3k2hB1 GLN 260 HG2 -0.09 0.02 -0.27 -0.04 2.40 2.02 3k2hB1 GLN 260 HG3 -0.08 -0.01 -0.11 -0.04 2.39 2.14 3k2hB1 GLN 260 HE21 -0.06 0.00 -0.08 -0.04 6.97 6.79 3k2hB1 GLN 260 HE22 -0.07 -0.02 -0.10 -0.04 7.69 7.47 3k2hB1 MET 261 H -0.09 0.60 0.33 -0.55 8.47 8.76 3k2hB1 MET 261 HA -0.17 0.19 0.95 -0.75 4.52 4.74 3k2hB1 MET 261 HB2 0.04 -0.05 0.06 -0.04 2.15 2.16 3k2hB1 MET 261 HB3 -0.34 0.03 0.05 -0.04 2.03 1.74 3k2hB1 MET 261 HG2 -0.05 0.07 -0.11 -0.04 2.63 2.50 3k2hB1 MET 261 HG3 -0.06 -0.04 -0.21 -0.04 2.56 2.21 3k2hB1 MET 261 HE3 -0.00 -0.01 -0.12 -0.04 2.10 1.92 3k2hB1 ARG 262 H -0.43 0.26 0.24 -0.55 8.46 7.97 3k2hB1 ARG 262 HA -0.26 0.36 0.80 -0.75 4.34 4.49 3k2hB1 ARG 262 HB2 -0.10 -0.00 0.04 -0.04 1.90 1.79 3k2hB1 ARG 262 HB3 -0.15 0.03 -0.02 -0.04 1.80 1.62 3k2hB1 ARG 262 HG2 -0.17 -0.04 0.03 -0.04 1.67 1.45 3k2hB1 ARG 262 HG3 -0.11 -0.00 -0.10 -0.04 1.67 1.41 3k2hB1 ARG 262 HD2 -0.10 0.00 -0.15 -0.04 3.22 2.94 3k2hB1 ARG 262 HD3 -0.07 0.02 -0.07 -0.04 3.22 3.06 3k2hB1 PHE 263 H 0.09 0.57 0.36 -0.55 8.34 8.82 3k2hB1 PHE 263 HA 0.05 0.12 0.94 -0.75 4.62 4.98 3k2hB1 PHE 263 HB2 0.13 -0.04 0.14 -0.04 3.15 3.35 3k2hB1 PHE 263 HB3 0.01 0.06 -0.01 -0.04 3.06 3.08 3k2hB1 PHE 263 HD2 0.13 0.04 -0.07 -0.04 7.28 7.33 3k2hB1 PHE 263 HE2 0.18 -0.02 -0.16 -0.04 7.38 7.33 3k2hB1 PHE 263 HZ 0.11 -0.04 -0.08 -0.04 7.32 7.27 3k2hB1 ASP 264 H 0.12 0.19 0.17 -0.55 8.40 8.33 3k2hB1 ASP 264 HA 0.08 0.15 0.70 -0.75 4.63 4.81 3k2hB1 ASP 264 HB2 0.03 0.03 0.12 -0.04 2.71 2.85 3k2hB1 ASP 264 HB3 0.02 0.01 0.28 -0.04 2.70 2.96 3k2hB1 LEU 265 H 0.11 0.59 0.38 -0.55 8.37 8.90 3k2hB1 LEU 265 HA 0.07 0.24 0.46 -0.75 4.35 4.36 3k2hB1 LEU 265 HB2 0.09 0.07 -0.02 -0.04 1.64 1.74 3k2hB1 LEU 265 HB3 0.07 0.01 0.09 -0.04 1.64 1.76 3k2hB1 LEU 265 HG 0.17 -0.02 0.05 -0.04 1.64 1.81 3k2hB1 LEU 265 HD13 0.11 0.02 -0.03 -0.04 0.93 0.99 3k2hB1 LEU 265 HD23 0.07 -0.02 -0.07 -0.04 0.89 0.82 3k2hB1 SER 266 H 0.06 0.12 -0.22 -0.55 8.46 7.88 3k2hB1 SER 266 HA 0.04 0.11 0.64 -0.75 4.49 4.53 3k2hB1 SER 266 HB2 0.04 -0.04 0.18 -0.04 3.95 4.10 3k2hB1 SER 266 HB3 0.05 0.33 0.22 -0.04 3.93 4.49 3k2hB1 ARG 267 H 0.03 0.22 -0.26 -0.55 8.46 7.90 3k2hB1 ARG 267 HA 0.03 0.10 0.69 -0.75 4.34 4.41 3k2hB1 ARG 267 HB2 -0.05 0.06 0.17 -0.04 1.90 2.03 3k2hB1 ARG 267 HB3 -0.16 0.19 0.11 -0.04 1.80 1.89 3k2hB1 ARG 267 HG2 0.06 -0.03 -0.13 -0.04 1.67 1.53 3k2hB1 ARG 267 HG3 0.00 -0.07 0.06 -0.04 1.67 1.62 3k2hB1 ARG 267 HD2 -0.18 0.07 0.11 -0.04 3.22 3.17 3k2hB1 ARG 267 HD3 0.21 -0.05 0.02 -0.04 3.22 3.36 3k2hB1 SER 268 H 0.02 0.34 0.14 -0.55 8.46 8.40 3k2hB1 SER 268 HA 0.02 0.12 0.46 -0.75 4.49 4.34 3k2hB1 SER 268 HB2 0.09 0.20 0.01 -0.04 3.95 4.21 3k2hB1 SER 268 HB3 -0.03 0.11 -0.39 -0.04 3.93 3.58 3k2hB1 PHE 269 H 0.08 0.88 0.16 -0.55 8.34 8.90 3k2hB1 PHE 269 HA -0.22 0.21 0.83 -0.75 4.62 4.68 3k2hB1 PHE 269 HB2 -0.14 -0.05 -0.19 -0.04 3.15 2.73 3k2hB1 PHE 269 HB3 -0.16 0.01 -0.28 -0.04 3.06 2.58 3k2hB1 PHE 269 HD2 -0.23 0.04 -0.15 -0.04 7.28 6.89 3k2hB1 PHE 269 HE2 -0.29 -0.03 -0.14 -0.04 7.38 6.89 3k2hB1 PHE 269 HZ -0.28 -0.02 -0.13 -0.04 7.32 6.85 3k2hB1 PRO 270 HA -2.84 0.09 0.16 -0.51 4.44 1.34 3k2hB1 PRO 270 HB2 -1.17 -0.02 0.07 -0.04 2.28 1.11 3k2hB1 PRO 270 HB3 -0.71 0.00 -0.02 -0.04 2.02 1.24 3k2hB1 PRO 270 HG2 -0.89 0.03 -0.10 -0.04 2.03 1.04 3k2hB1 PRO 270 HG3 -0.58 0.02 -0.01 -0.04 2.03 1.42 3k2hB1 PRO 270 HD2 -0.98 0.08 0.02 -0.04 3.68 2.76 3k2hB1 PRO 270 HD3 -0.37 0.29 0.12 -0.04 3.65 3.66 3k2hB1 LEU 271 H -0.79 0.72 0.17 -0.55 8.37 7.93 3k2hB1 LEU 271 HA -0.50 0.03 0.70 -0.75 4.35 3.82 3k2hB1 LEU 271 HB2 -0.31 -0.05 -0.04 -0.04 1.64 1.19 3k2hB1 LEU 271 HB3 -0.25 0.08 0.13 -0.04 1.64 1.57 3k2hB1 LEU 271 HG -0.42 0.16 -0.13 -0.04 1.64 1.21 3k2hB1 LEU 271 HD13 -0.27 -0.04 -0.04 -0.04 0.93 0.54 3k2hB1 LEU 271 HD23 -1.02 -0.01 -0.02 -0.04 0.89 -0.19 3k2hB1 LEU 272 H -0.18 0.10 0.09 -0.55 8.37 7.84 3k2hB1 LEU 272 HA 0.22 -0.03 0.23 -0.75 4.35 4.01 3k2hB1 LEU 272 HB2 -0.06 0.02 0.08 -0.04 1.64 1.63 3k2hB1 LEU 272 HB3 -0.04 -0.07 0.02 -0.04 1.64 1.51 3k2hB1 LEU 272 HG -0.28 0.01 0.08 -0.04 1.64 1.41 3k2hB1 LEU 272 HD13 -0.72 0.01 -0.04 -0.04 0.93 0.14 3k2hB1 LEU 272 HD23 -0.16 0.00 -0.04 -0.04 0.89 0.65 3k2hB1 THR 273 H 0.14 0.03 0.22 -0.55 8.28 8.12 3k2hB1 THR 273 HA 0.20 0.28 0.97 -0.75 4.39 5.09 3k2hB1 THR 273 HB 0.21 0.16 0.27 -0.04 4.32 4.91 3k2hB1 THR 273 HG23 0.32 0.05 -0.06 -0.04 1.22 1.48 3k2hB1 THR 274 H 0.02 -0.03 0.02 -0.55 8.28 7.74 3k2hB1 THR 274 HA -0.03 0.16 0.50 -0.75 4.39 4.26 3k2hB1 THR 274 HB -0.15 0.17 0.13 -0.04 4.32 4.42 3k2hB1 THR 274 HG23 -0.23 -0.01 -0.15 -0.04 1.22 0.79 3k2hB1 LYS 275 H 0.07 0.20 -0.45 -0.55 8.42 7.68 3k2hB1 LYS 275 HA 0.07 0.35 -0.00 -0.75 4.32 3.98 3k2hB1 LYS 275 HB2 0.03 -0.05 0.06 -0.04 1.87 1.86 3k2hB1 LYS 275 HB3 0.02 0.08 -0.16 -0.04 1.79 1.69 3k2hB1 LYS 275 HG2 0.03 -0.12 -0.23 -0.04 1.46 1.09 3k2hB1 LYS 275 HG3 0.05 0.00 -0.62 -0.04 1.46 0.85 3k2hB1 LYS 275 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 3k2hB1 LYS 275 HD3 0.02 0.02 -0.09 -0.04 1.68 1.59 3k2hB1 LYS 275 HE2 0.00 -0.06 -0.08 -0.04 2.99 2.81 3k2hB1 LYS 275 HE3 0.04 -0.10 -0.12 -0.04 2.99 2.78 3k2hB1 LYS 276 H 0.06 0.16 -0.47 -0.55 8.42 7.62 3k2hB1 LYS 276 HA 0.15 0.13 0.56 -0.75 4.32 4.40 3k2hB1 LYS 276 HB2 0.02 0.24 -0.02 -0.04 1.87 2.07 3k2hB1 LYS 276 HB3 0.05 -0.14 0.10 -0.04 1.79 1.77 3k2hB1 LYS 276 HG2 0.10 -0.09 -0.28 -0.04 1.46 1.15 3k2hB1 LYS 276 HG3 0.16 0.04 -0.05 -0.04 1.46 1.57 3k2hB1 LYS 276 HD2 -0.00 0.08 -0.05 -0.04 1.69 1.68 3k2hB1 LYS 276 HD3 0.03 -0.05 -0.02 -0.04 1.68 1.59 3k2hB1 LYS 276 HE2 0.06 -0.07 -0.06 -0.04 2.99 2.88 3k2hB1 LYS 276 HE3 0.07 0.04 -0.03 -0.04 2.99 3.03 3k2hB1 VAL 277 H 0.28 0.28 0.16 -0.55 8.24 8.41 3k2hB1 VAL 277 HA 0.06 0.10 0.53 -0.75 4.13 4.07 3k2hB1 VAL 277 HB -0.09 0.01 0.04 -0.04 2.12 2.04 3k2hB1 VAL 277 HG13 -0.14 -0.02 -0.22 -0.04 0.97 0.55 3k2hB1 VAL 277 HG23 0.02 0.08 -0.08 -0.04 0.95 0.92 3k2hB1 ALA 278 H 0.08 0.18 0.10 -0.55 8.40 8.21 3k2hB1 ALA 278 HA -0.01 0.14 0.46 -0.75 4.34 4.18 3k2hB1 ALA 278 HB3 0.12 0.01 0.17 -0.04 1.41 1.67 3k2hB1 LEU 279 H -0.13 0.58 0.24 -0.55 8.37 8.51 3k2hB1 LEU 279 HA -0.29 0.02 0.27 -0.75 4.35 3.60 3k2hB1 LEU 279 HB2 -0.26 0.11 0.09 -0.04 1.64 1.53 3k2hB1 LEU 279 HB3 -0.15 0.01 0.15 -0.04 1.64 1.61 3k2hB1 LEU 279 HG -0.17 -0.04 -0.31 -0.04 1.64 1.08 3k2hB1 LEU 279 HD13 -0.16 -0.00 -0.06 -0.04 0.93 0.67 3k2hB1 LEU 279 HD23 -0.19 0.02 -0.01 -0.04 0.89 0.67 3k2hB1 ARG 280 H -0.10 0.16 -0.08 -0.55 8.46 7.90 3k2hB1 ARG 280 HA -0.10 0.09 0.41 -0.75 4.34 3.99 3k2hB1 ARG 280 HB2 -0.06 0.04 0.12 -0.04 1.90 1.96 3k2hB1 ARG 280 HB3 -0.05 -0.00 0.05 -0.04 1.80 1.75 3k2hB1 ARG 280 HG2 -0.05 0.00 -0.09 -0.04 1.67 1.49 3k2hB1 ARG 280 HG3 -0.06 -0.00 0.07 -0.04 1.67 1.64 3k2hB1 ARG 280 HD2 -0.04 0.04 0.00 -0.04 3.22 3.18 3k2hB1 ARG 280 HD3 -0.03 -0.00 0.02 -0.04 3.22 3.16 3k2hB1 SER 281 H -0.08 0.20 -0.29 -0.55 8.46 7.74 3k2hB1 SER 281 HA -0.04 0.07 0.40 -0.75 4.49 4.17 3k2hB1 SER 281 HB2 0.15 0.19 0.15 -0.04 3.95 4.40 3k2hB1 SER 281 HB3 0.19 -0.11 0.05 -0.04 3.93 4.02 3k2hB1 ILE 282 H -0.36 0.38 -0.08 -0.55 8.25 7.63 3k2hB1 ILE 282 HA -0.19 -0.02 0.41 -0.75 4.18 3.63 3k2hB1 ILE 282 HB -0.35 0.22 0.15 -0.04 1.89 1.86 3k2hB1 ILE 282 HG12 -1.17 -0.07 0.05 -0.04 1.49 0.26 3k2hB1 ILE 282 HG13 -1.64 0.01 0.01 -0.04 1.21 -0.44 3k2hB1 ILE 282 HG23 -0.21 -0.01 -0.23 -0.04 0.93 0.45 3k2hB1 ILE 282 HD13 -0.59 -0.01 -0.13 -0.04 0.88 0.10 3k2hB1 ILE 283 H -0.17 0.58 -0.13 -0.55 8.25 7.99 3k2hB1 ILE 283 HA -0.13 0.04 0.36 -0.75 4.18 3.70 3k2hB1 ILE 283 HB -0.11 0.08 0.13 -0.04 1.89 1.95 3k2hB1 ILE 283 HG12 -0.17 -0.02 -0.05 -0.04 1.49 1.20 3k2hB1 ILE 283 HG13 -0.17 0.05 -0.03 -0.04 1.21 1.03 3k2hB1 ILE 283 HG23 -0.09 0.01 -0.13 -0.04 0.93 0.68 3k2hB1 ILE 283 HD13 -0.16 0.00 -0.04 -0.04 0.88 0.64 3k2hB1 GLU 284 H -0.09 0.54 -0.08 -0.55 8.60 8.42 3k2hB1 GLU 284 HA -0.05 0.05 0.46 -0.75 4.29 3.99 3k2hB1 GLU 284 HB2 -0.09 0.03 0.13 -0.04 2.09 2.11 3k2hB1 GLU 284 HB3 -0.10 -0.03 0.05 -0.04 1.99 1.87 3k2hB1 GLU 284 HG2 -0.06 0.07 0.09 -0.04 2.34 2.40 3k2hB1 GLU 284 HG3 -0.06 0.06 0.01 -0.04 2.34 2.31 3k2hB1 GLU 285 H -0.10 0.51 -0.26 -0.55 8.60 8.20 3k2hB1 GLU 285 HA -0.22 -0.02 0.36 -0.75 4.29 3.67 3k2hB1 GLU 285 HB2 -0.02 0.02 0.10 -0.04 2.09 2.15 3k2hB1 GLU 285 HB3 -0.09 0.15 0.13 -0.04 1.99 2.14 3k2hB1 GLU 285 HG2 -1.00 -0.02 -0.16 -0.04 2.34 1.12 3k2hB1 GLU 285 HG3 0.03 -0.07 -0.01 -0.04 2.34 2.25 3k2hB1 LEU 286 H -0.14 0.54 -0.17 -0.55 8.37 8.05 3k2hB1 LEU 286 HA -0.09 -0.02 0.41 -0.75 4.35 3.90 3k2hB1 LEU 286 HB2 -0.07 0.01 0.09 -0.04 1.64 1.62 3k2hB1 LEU 286 HB3 -0.07 0.12 0.10 -0.04 1.64 1.74 3k2hB1 LEU 286 HG 0.05 0.02 -0.25 -0.04 1.64 1.42 3k2hB1 LEU 286 HD13 0.19 -0.03 -0.02 -0.04 0.93 1.03 3k2hB1 LEU 286 HD23 -0.11 0.02 -0.07 -0.04 0.89 0.68 3k2hB1 LEU 287 H -0.03 0.57 -0.14 -0.55 8.37 8.22 3k2hB1 LEU 287 HA 0.07 0.06 0.35 -0.75 4.35 4.09 3k2hB1 LEU 287 HB2 0.03 0.03 0.09 -0.04 1.64 1.75 3k2hB1 LEU 287 HB3 0.06 0.02 0.01 -0.04 1.64 1.69 3k2hB1 LEU 287 HG -0.01 0.19 0.01 -0.04 1.64 1.78 3k2hB1 LEU 287 HD13 0.01 -0.03 -0.19 -0.04 0.93 0.68 3k2hB1 LEU 287 HD23 0.07 0.05 -0.16 -0.04 0.89 0.80 3k2hB1 TRP 288 H 0.11 0.45 -0.38 -0.55 7.97 7.60 3k2hB1 TRP 288 HA -0.07 -0.01 0.41 -0.75 4.62 4.19 3k2hB1 TRP 288 HB2 -0.16 0.11 0.07 -0.04 3.23 3.22 3k2hB1 TRP 288 HB3 -0.38 0.23 0.18 -0.04 3.23 3.22 3k2hB1 TRP 288 HD1 -0.07 0.03 -0.07 -0.04 7.22 7.07 3k2hB1 TRP 288 HE1 -0.08 0.18 -0.13 -0.04 10.20 10.13 3k2hB1 TRP 288 HE3 -0.77 0.16 -0.01 -0.04 7.59 6.93 3k2hB1 TRP 288 HZ2 -0.22 -0.09 -0.55 -0.04 7.44 6.54 3k2hB1 TRP 288 HZ3 -0.70 -0.03 -0.06 -0.04 7.13 6.30 3k2hB1 TRP 288 HH2 -1.03 -0.00 -0.11 -0.04 7.19 6.00 3k2hB1 PHE 289 H -0.20 0.54 -0.08 -0.55 8.34 8.06 3k2hB1 PHE 289 HA -0.64 -0.08 0.41 -0.75 4.62 3.56 3k2hB1 PHE 289 HB2 -0.33 0.20 0.16 -0.04 3.15 3.14 3k2hB1 PHE 289 HB3 -1.69 -0.05 -0.08 -0.04 3.06 1.19 3k2hB1 PHE 289 HD2 -0.38 -0.02 -0.03 -0.04 7.28 6.81 3k2hB1 PHE 289 HE2 -0.00 -0.05 -0.06 -0.04 7.38 7.23 3k2hB1 PHE 289 HZ 0.19 -0.05 -0.05 -0.04 7.32 7.37 3k2hB1 ILE 290 H 0.15 0.64 -0.13 -0.55 8.25 8.36 3k2hB1 ILE 290 HA 0.40 -0.03 0.29 -0.75 4.18 4.09 3k2hB1 ILE 290 HB 0.15 0.12 0.10 -0.04 1.89 2.23 3k2hB1 ILE 290 HG12 0.33 -0.07 -0.04 -0.04 1.49 1.66 3k2hB1 ILE 290 HG13 0.38 0.01 0.01 -0.04 1.21 1.58 3k2hB1 ILE 290 HG23 0.17 0.02 -0.23 -0.04 0.93 0.84 3k2hB1 ILE 290 HD13 0.13 -0.00 -0.14 -0.04 0.88 0.83 3k2hB1 LYS 291 H 0.05 0.43 -0.22 -0.55 8.42 8.13 3k2hB1 LYS 291 HA 0.07 0.08 0.48 -0.75 4.32 4.20 3k2hB1 LYS 291 HB2 0.06 -0.05 0.14 -0.04 1.87 1.97 3k2hB1 LYS 291 HB3 0.07 0.05 0.08 -0.04 1.79 1.95 3k2hB1 LYS 291 HG2 0.04 0.18 0.15 -0.04 1.46 1.79 3k2hB1 LYS 291 HG3 0.01 -0.13 -0.12 -0.04 1.46 1.18 3k2hB1 LYS 291 HD2 0.07 -0.05 -0.01 -0.04 1.69 1.66 3k2hB1 LYS 291 HD3 0.08 0.05 -0.02 -0.04 1.68 1.75 3k2hB1 LYS 291 HE2 0.13 0.00 -0.12 -0.04 2.99 2.96 3k2hB1 LYS 291 HE3 0.20 -0.05 -0.03 -0.04 2.99 3.07 3k2hB1 GLY 292 H -0.06 0.33 -0.54 -0.55 8.43 7.62 3k2hB1 GLY 292 HA2 -0.07 0.11 0.26 -0.51 4.01 3.81 3k2hB1 GLY 292 HA3 0.04 0.06 0.22 -0.51 4.01 3.83 3k2hB1 SER 293 H -0.30 0.35 -0.07 -0.55 8.46 7.89 3k2hB1 SER 293 HA -0.12 0.12 0.41 -0.75 4.49 4.14 3k2hB1 SER 293 HB2 -0.06 0.10 0.02 -0.04 3.95 3.97 3k2hB1 SER 293 HB3 -0.61 0.05 0.07 -0.04 3.93 3.40 3k2hB1 THR 294 H -0.09 0.19 0.17 -0.55 8.28 8.01 3k2hB1 THR 294 HA -0.46 0.14 0.64 -0.75 4.39 3.96 3k2hB1 THR 294 HB -0.16 0.08 0.22 -0.04 4.32 4.42 3k2hB1 THR 294 HG23 -0.18 0.02 -0.19 -0.04 1.22 0.83 3k2hB1 ASN 295 H 0.11 0.12 0.07 -0.55 8.53 8.29 3k2hB1 ASN 295 HA 0.13 0.25 0.93 -0.75 4.76 5.31 3k2hB1 ASN 295 HB2 0.07 0.16 0.15 -0.04 2.88 3.22 3k2hB1 ASN 295 HB3 0.19 -0.02 0.23 -0.04 2.79 3.15 3k2hB1 ASN 295 HD21 0.14 0.02 -0.03 -0.04 7.03 7.13 3k2hB1 ASN 295 HD22 0.10 0.13 0.01 -0.04 7.74 7.94 3k2hB1 GLY 296 H 0.21 0.90 0.34 -0.55 8.43 9.34 3k2hB1 GLY 296 HA2 -0.00 0.03 0.34 -0.51 4.01 3.87 3k2hB1 GLY 296 HA3 0.08 0.11 0.33 -0.51 4.01 4.01 3k2hB1 ASN 297 H 0.08 0.18 -0.30 -0.55 8.53 7.94 3k2hB1 ASN 297 HA -0.12 0.06 0.44 -0.75 4.76 4.38 3k2hB1 ASN 297 HB2 0.08 0.03 0.00 -0.04 2.88 2.95 3k2hB1 ASN 297 HB3 0.03 0.05 0.01 -0.04 2.79 2.84 3k2hB1 ASN 297 HD21 0.19 0.13 -0.03 -0.04 7.03 7.27 3k2hB1 ASN 297 HD22 0.14 -0.01 -0.02 -0.04 7.74 7.81 3k2hB1 ASP 298 H 0.10 0.39 -0.30 -0.55 8.40 8.05 3k2hB1 ASP 298 HA 0.05 0.08 0.32 -0.75 4.63 4.32 3k2hB1 ASP 298 HB2 0.41 0.15 0.09 -0.04 2.71 3.32 3k2hB1 ASP 298 HB3 0.24 0.03 -0.02 -0.04 2.70 2.90 3k2hB1 LEU 299 H -0.26 0.21 -0.41 -0.55 8.37 7.36 3k2hB1 LEU 299 HA -0.29 0.15 0.61 -0.75 4.35 4.07 3k2hB1 LEU 299 HB2 -0.52 0.08 0.11 -0.04 1.64 1.27 3k2hB1 LEU 299 HB3 -0.36 0.03 -0.04 -0.04 1.64 1.24 3k2hB1 LEU 299 HG -2.03 0.01 -0.11 -0.04 1.64 -0.53 3k2hB1 LEU 299 HD13 -1.09 -0.03 -0.08 -0.04 0.93 -0.31 3k2hB1 LEU 299 HD23 -0.45 0.03 -0.18 -0.04 0.89 0.24 3k2hB1 LEU 300 H -0.20 0.42 0.07 -0.55 8.37 8.12 3k2hB1 LEU 300 HA -0.12 0.06 0.37 -0.75 4.35 3.90 3k2hB1 LEU 300 HB2 -0.15 0.02 0.15 -0.04 1.64 1.62 3k2hB1 LEU 300 HB3 -0.11 0.00 -0.00 -0.04 1.64 1.49 3k2hB1 LEU 300 HG -0.26 0.08 0.05 -0.04 1.64 1.46 3k2hB1 LEU 300 HD13 -0.49 -0.02 -0.08 -0.04 0.93 0.30 3k2hB1 LEU 300 HD23 -0.12 0.01 -0.04 -0.04 0.89 0.70 3k2hB1 ALA 301 H -0.07 0.65 -0.24 -0.55 8.40 8.19 3k2hB1 ALA 301 HA -0.03 0.01 0.31 -0.75 4.34 3.87 3k2hB1 ALA 301 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 3k2hB1 LYS 302 H -0.08 0.31 -0.70 -0.55 8.42 7.40 3k2hB1 LYS 302 HA -0.04 0.16 0.76 -0.75 4.32 4.46 3k2hB1 LYS 302 HB2 -0.08 0.06 0.13 -0.04 1.87 1.94 3k2hB1 LYS 302 HB3 -0.05 -0.07 0.16 -0.04 1.79 1.79 3k2hB1 LYS 302 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 3k2hB1 LYS 302 HG3 -0.02 -0.02 -0.20 -0.04 1.46 1.18 3k2hB1 LYS 302 HD2 -0.03 0.15 0.06 -0.04 1.69 1.83 3k2hB1 LYS 302 HD3 -0.02 -0.08 0.03 -0.04 1.68 1.56 3k2hB1 LYS 302 HE2 0.01 0.01 -0.01 -0.04 2.99 2.97 3k2hB1 LYS 302 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 3k2hB1 ASN 303 H -0.05 0.56 -0.32 -0.55 8.53 8.17 3k2hB1 ASN 303 HA -0.05 0.03 0.29 -0.75 4.76 4.28 3k2hB1 ASN 303 HB2 -0.03 0.14 0.08 -0.04 2.88 3.02 3k2hB1 ASN 303 HB3 -0.03 -0.08 0.16 -0.04 2.79 2.80 3k2hB1 ASN 303 HD21 -0.02 0.00 -0.08 -0.04 7.03 6.89 3k2hB1 ASN 303 HD22 -0.03 0.04 -0.20 -0.04 7.74 7.52 3k2hB1 VAL 304 H -0.09 0.52 -0.26 -0.55 8.24 7.86 3k2hB1 VAL 304 HA -0.06 0.11 0.81 -0.75 4.13 4.24 3k2hB1 VAL 304 HB -0.15 0.05 0.03 -0.04 2.12 2.01 3k2hB1 VAL 304 HG13 -0.07 -0.05 -0.07 -0.04 0.97 0.75 3k2hB1 VAL 304 HG23 -0.07 0.07 -0.15 -0.04 0.95 0.76 3k2hB1 ARG 305 H -0.07 0.20 0.05 -0.55 8.46 8.10 3k2hB1 ARG 305 HA -0.10 0.19 0.60 -0.75 4.34 4.29 3k2hB1 ARG 305 HB2 -0.06 0.05 0.01 -0.04 1.90 1.85 3k2hB1 ARG 305 HB3 -0.06 -0.02 0.09 -0.04 1.80 1.77 3k2hB1 ARG 305 HG2 -0.07 0.04 -0.33 -0.04 1.67 1.27 3k2hB1 ARG 305 HG3 -0.05 0.07 -0.24 -0.04 1.67 1.41 3k2hB1 ARG 305 HD2 -0.03 0.07 -0.07 -0.04 3.22 3.14 3k2hB1 ARG 305 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.11 3k2hB1 ILE 306 H -0.11 0.14 -0.14 -0.55 8.25 7.60 3k2hB1 ILE 306 HA -0.23 0.12 0.30 -0.75 4.18 3.62 3k2hB1 ILE 306 HB -0.44 0.04 0.03 -0.04 1.89 1.48 3k2hB1 ILE 306 HG12 -0.06 -0.04 -0.05 -0.04 1.49 1.30 3k2hB1 ILE 306 HG13 -0.18 0.03 -0.20 -0.04 1.21 0.82 3k2hB1 ILE 306 HG23 -0.17 0.00 0.02 -0.04 0.93 0.74 3k2hB1 ILE 306 HD13 0.09 0.02 -0.09 -0.04 0.88 0.85 3k2hB1 TRP 307 H -0.02 0.12 -0.32 -0.55 7.97 7.20 3k2hB1 TRP 307 HA -0.07 0.19 0.71 -0.75 4.62 4.69 3k2hB1 TRP 307 HB2 -0.37 0.02 -0.02 -0.04 3.23 2.82 3k2hB1 TRP 307 HB3 -0.07 0.02 0.02 -0.04 3.23 3.16 3k2hB1 TRP 307 HD1 -0.41 -0.02 -0.11 -0.04 7.22 6.65 3k2hB1 TRP 307 HE1 0.22 0.02 -0.08 -0.04 10.20 10.31 3k2hB1 TRP 307 HE3 0.09 -0.05 -0.03 -0.04 7.59 7.56 3k2hB1 TRP 307 HZ2 0.46 -0.03 -0.03 -0.04 7.44 7.80 3k2hB1 TRP 307 HZ3 0.14 0.09 -0.05 -0.04 7.13 7.27 3k2hB1 TRP 307 HH2 0.42 0.06 -0.04 -0.04 7.19 7.59 3k2hB1 GLU 308 H -0.04 0.41 -0.34 -0.55 8.60 8.08 3k2hB1 GLU 308 HA 0.08 0.04 0.23 -0.75 4.29 3.89 3k2hB1 GLU 308 HB2 -0.05 -0.02 0.11 -0.04 2.09 2.09 3k2hB1 GLU 308 HB3 -0.02 0.08 0.10 -0.04 1.99 2.11 3k2hB1 GLU 308 HG2 0.12 -0.03 -0.18 -0.04 2.34 2.21 3k2hB1 GLU 308 HG3 0.10 -0.02 -0.00 -0.04 2.34 2.37 3k2hB1 LEU 309 H -0.07 0.19 -0.21 -0.55 8.37 7.74 3k2hB1 LEU 309 HA -0.01 0.06 0.33 -0.75 4.35 3.97 3k2hB1 LEU 309 HB2 -0.15 0.03 0.02 -0.04 1.64 1.49 3k2hB1 LEU 309 HB3 -0.11 0.02 -0.01 -0.04 1.64 1.50 3k2hB1 LEU 309 HG -0.07 -0.01 0.02 -0.04 1.64 1.54 3k2hB1 LEU 309 HD13 -0.07 0.01 -0.00 -0.04 0.93 0.82 3k2hB1 LEU 309 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 3k2hB1 ASN 310 H -0.14 0.12 -0.23 -0.55 8.53 7.74 3k2hB1 ASN 310 HA -1.25 0.16 0.62 -0.75 4.76 3.54 3k2hB1 ASN 310 HB2 0.13 0.01 -0.00 -0.04 2.88 2.97 3k2hB1 ASN 310 HB3 -0.22 0.13 0.05 -0.04 2.79 2.70 3k2hB1 ASN 310 HD21 -0.29 -0.07 -0.02 -0.04 7.03 6.61 3k2hB1 ASN 310 HD22 -1.22 0.13 -0.02 -0.04 7.74 6.60 3k2hB1 GLY 311 H 0.10 0.27 -0.49 -0.55 8.43 7.77 3k2hB1 GLY 311 HA2 0.13 0.27 0.80 -0.51 4.01 4.70 3k2hB1 GLY 311 HA3 0.25 -0.10 0.30 -0.51 4.01 3.94 3k2hB1 ARG 312 H 0.06 0.25 -0.08 -0.55 8.46 8.14 3k2hB1 ARG 312 HA -0.15 0.04 0.54 -0.75 4.34 4.02 3k2hB1 ARG 312 HB2 0.06 0.16 0.21 -0.04 1.90 2.29 3k2hB1 ARG 312 HB3 0.08 -0.12 0.09 -0.04 1.80 1.81 3k2hB1 ARG 312 HG2 0.04 -0.03 0.08 -0.04 1.67 1.72 3k2hB1 ARG 312 HG3 -0.00 -0.08 0.18 -0.04 1.67 1.72 3k2hB1 ARG 312 HD2 0.08 0.01 0.01 -0.04 3.22 3.27 3k2hB1 ARG 312 HD3 0.10 0.08 -0.05 -0.04 3.22 3.32 3k2hB1 ARG 313 H -0.03 0.14 0.21 -0.55 8.46 8.22 3k2hB1 ARG 313 HA 0.02 0.17 0.42 -0.75 4.34 4.20 3k2hB1 ARG 313 HB2 -0.01 0.02 0.18 -0.04 1.90 2.05 3k2hB1 ARG 313 HB3 0.01 -0.06 0.18 -0.04 1.80 1.89 3k2hB1 ARG 313 HG2 0.02 0.01 -0.01 -0.04 1.67 1.65 3k2hB1 ARG 313 HG3 0.02 0.01 -0.24 -0.04 1.67 1.42 3k2hB1 ARG 313 HD2 0.01 -0.03 0.06 -0.04 3.22 3.21 3k2hB1 ARG 313 HD3 0.02 0.03 0.01 -0.04 3.22 3.24 3k2hB1 ASP 314 H 0.05 0.07 -0.08 -0.55 8.40 7.89 3k2hB1 ASP 314 HA 0.04 0.10 0.41 -0.75 4.63 4.42 3k2hB1 ASP 314 HB2 0.04 0.07 0.03 -0.04 2.71 2.82 3k2hB1 ASP 314 HB3 0.04 0.01 0.08 -0.04 2.70 2.78 3k2hB1 PHE 315 H 0.22 0.06 -0.36 -0.55 8.34 7.70 3k2hB1 PHE 315 HA 0.05 0.10 0.54 -0.75 4.62 4.56 3k2hB1 PHE 315 HB2 0.04 -0.05 0.11 -0.04 3.15 3.22 3k2hB1 PHE 315 HB3 0.05 0.06 0.04 -0.04 3.06 3.17 3k2hB1 PHE 315 HD2 0.07 0.02 -0.14 -0.04 7.28 7.19 3k2hB1 PHE 315 HE2 0.09 0.09 0.03 -0.04 7.38 7.54 3k2hB1 PHE 315 HZ 0.12 0.05 0.05 -0.04 7.32 7.50 3k2hB1 LEU 316 H 0.24 0.53 -0.12 -0.55 8.37 8.47 3k2hB1 LEU 316 HA 0.27 0.09 0.43 -0.75 4.35 4.39 3k2hB1 LEU 316 HB2 0.11 0.03 0.09 -0.04 1.64 1.83 3k2hB1 LEU 316 HB3 0.19 0.11 0.04 -0.04 1.64 1.93 3k2hB1 LEU 316 HG 0.16 0.14 -0.22 -0.04 1.64 1.67 3k2hB1 LEU 316 HD13 0.03 -0.07 -0.12 -0.04 0.93 0.73 3k2hB1 LEU 316 HD23 0.11 -0.01 0.00 -0.04 0.89 0.95 3k2hB1 ASP 317 H 0.06 0.62 -0.13 -0.55 8.40 8.40 3k2hB1 ASP 317 HA 0.01 -0.04 0.14 -0.75 4.63 3.99 3k2hB1 ASP 317 HB2 0.01 -0.00 0.07 -0.04 2.71 2.74 3k2hB1 ASP 317 HB3 -0.00 -0.03 -0.04 -0.04 2.70 2.58 3k2hB1 LYS 318 H -0.04 0.46 -0.27 -0.55 8.42 8.01 3k2hB1 LYS 318 HA -0.07 -0.04 0.41 -0.75 4.32 3.87 3k2hB1 LYS 318 HB2 -0.06 0.29 0.27 -0.04 1.87 2.33 3k2hB1 LYS 318 HB3 -0.23 0.13 0.10 -0.04 1.79 1.75 3k2hB1 LYS 318 HG2 -0.09 0.00 0.01 -0.04 1.46 1.34 3k2hB1 LYS 318 HG3 -0.04 -0.07 0.08 -0.04 1.46 1.39 3k2hB1 LYS 318 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 3k2hB1 LYS 318 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 3k2hB1 LYS 318 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.93 3k2hB1 LYS 318 HE3 0.02 -0.06 -0.00 -0.04 2.99 2.90 3k2hB1 ASN 319 H -0.14 0.36 -0.48 -0.55 8.53 7.72 3k2hB1 ASN 319 HA -0.19 0.14 0.80 -0.75 4.76 4.77 3k2hB1 ASN 319 HB2 -0.02 0.09 0.15 -0.04 2.88 3.06 3k2hB1 ASN 319 HB3 -0.05 -0.00 0.21 -0.04 2.79 2.91 3k2hB1 ASN 319 HD21 -0.86 -0.11 -0.01 -0.04 7.03 6.00 3k2hB1 ASN 319 HD22 -1.29 0.28 0.04 -0.04 7.74 6.73 3k2hB1 GLY 320 H -0.17 0.45 -0.36 -0.55 8.43 7.80 3k2hB1 GLY 320 HA2 -0.18 -0.03 0.33 -0.51 4.01 3.62 3k2hB1 GLY 320 HA3 -0.36 0.10 0.52 -0.51 4.01 3.76 3k2hB1 PHE 321 H -0.11 0.65 -0.27 -0.55 8.34 8.06 3k2hB1 PHE 321 HA -0.02 0.11 0.54 -0.75 4.62 4.50 3k2hB1 PHE 321 HB2 -0.00 -0.04 0.11 -0.04 3.15 3.17 3k2hB1 PHE 321 HB3 0.01 -0.10 0.11 -0.04 3.06 3.05 3k2hB1 PHE 321 HD2 -0.04 -0.07 -0.02 -0.04 7.28 7.12 3k2hB1 PHE 321 HE2 -0.04 0.03 0.02 -0.04 7.38 7.35 3k2hB1 PHE 321 HZ -0.04 0.10 -0.15 -0.04 7.32 7.19 3k2hB1 THR 322 H 0.00 0.47 -0.28 -0.55 8.28 7.93 3k2hB1 THR 322 HA 0.04 0.10 0.28 -0.75 4.39 4.06 3k2hB1 THR 322 HB 0.01 -0.02 0.06 -0.04 4.32 4.33 3k2hB1 THR 322 HG23 -0.01 0.00 -0.04 -0.04 1.22 1.13 3k2hB1 ASP 323 H 0.07 0.12 -0.26 -0.55 8.40 7.78 3k2hB1 ASP 323 HA 0.04 0.20 0.81 -0.75 4.63 4.93 3k2hB1 ASP 323 HB2 0.05 0.03 0.01 -0.04 2.71 2.76 3k2hB1 ASP 323 HB3 0.03 -0.02 0.13 -0.04 2.70 2.80 3k2hB1 ARG 324 H 0.10 0.32 -0.37 -0.55 8.46 7.95 3k2hB1 ARG 324 HA 0.06 0.01 0.65 -0.75 4.34 4.31 3k2hB1 ARG 324 HB2 0.14 -0.06 0.04 -0.04 1.90 1.97 3k2hB1 ARG 324 HB3 0.09 0.10 0.09 -0.04 1.80 2.04 3k2hB1 ARG 324 HG2 -0.09 0.09 0.06 -0.04 1.67 1.70 3k2hB1 ARG 324 HG3 0.01 0.13 0.03 -0.04 1.67 1.79 3k2hB1 ARG 324 HD2 0.01 -0.14 0.06 -0.04 3.22 3.11 3k2hB1 ARG 324 HD3 0.05 -0.09 0.12 -0.04 3.22 3.25 3k2hB1 GLU 325 H 0.04 0.09 0.19 -0.55 8.60 8.37 3k2hB1 GLU 325 HA 0.04 0.03 0.55 -0.75 4.29 4.16 3k2hB1 GLU 325 HB2 0.07 0.03 0.17 -0.04 2.09 2.32 3k2hB1 GLU 325 HB3 0.04 -0.10 0.10 -0.04 1.99 1.99 3k2hB1 GLU 325 HG2 0.09 0.13 -0.07 -0.04 2.34 2.46 3k2hB1 GLU 325 HG3 0.08 -0.02 0.09 -0.04 2.34 2.45 3k2hB1 GLU 326 H 0.01 0.08 0.17 -0.55 8.60 8.31 3k2hB1 GLU 326 HA -0.09 0.20 0.47 -0.75 4.29 4.12 3k2hB1 GLU 326 HB2 -0.06 0.01 0.18 -0.04 2.09 2.18 3k2hB1 GLU 326 HB3 -0.06 -0.04 0.12 -0.04 1.99 1.97 3k2hB1 GLU 326 HG2 -1.00 -0.00 -0.10 -0.04 2.34 1.19 3k2hB1 GLU 326 HG3 -0.33 0.13 0.20 -0.04 2.34 2.30 3k2hB1 HIS 327 H -0.17 0.71 0.29 -0.55 8.41 8.70 3k2hB1 HIS 327 HA 0.07 0.01 0.35 -0.75 4.63 4.31 3k2hB1 HIS 327 HB2 0.06 0.20 0.05 -0.04 3.26 3.53 3k2hB1 HIS 327 HB3 0.07 -0.30 0.17 -0.04 3.20 3.09 3k2hB1 HIS 327 HD2 0.07 0.01 -0.05 -0.04 6.97 6.94 3k2hB1 HIS 327 HE1 0.03 0.01 -0.08 -0.04 7.75 7.67 3k2hB1 ASP 328 H 0.05 0.65 -0.48 -0.55 8.40 8.07 3k2hB1 ASP 328 HA 0.04 0.05 0.95 -0.75 4.63 4.92 3k2hB1 ASP 328 HB2 0.00 -0.05 0.11 -0.04 2.71 2.73 3k2hB1 ASP 328 HB3 0.01 0.18 0.24 -0.04 2.70 3.09 3k2hB1 LEU 329 H 0.02 0.47 0.19 -0.55 8.37 8.51 3k2hB1 LEU 329 HA -0.05 0.16 0.42 -0.75 4.35 4.13 3k2hB1 LEU 329 HB2 -0.08 0.04 0.10 -0.04 1.64 1.66 3k2hB1 LEU 329 HB3 -0.07 -0.05 0.12 -0.04 1.64 1.60 3k2hB1 LEU 329 HG 0.14 -0.04 -0.13 -0.04 1.64 1.57 3k2hB1 LEU 329 HD13 0.11 -0.03 -0.10 -0.04 0.93 0.88 3k2hB1 LEU 329 HD23 0.27 0.04 -0.20 -0.04 0.89 0.96 3k2hB1 GLY 330 H -0.14 -0.06 -0.27 -0.55 8.43 7.41 3k2hB1 GLY 330 HA2 -0.69 0.02 0.23 -0.51 4.01 3.06 3k2hB1 GLY 330 HA3 -0.50 0.39 0.61 -0.51 4.01 4.01 3k2hB1 PRO 331 HA -0.86 0.03 0.29 -0.51 4.44 3.39 3k2hB1 PRO 331 HB2 -0.36 0.02 0.16 -0.04 2.28 2.06 3k2hB1 PRO 331 HB3 -1.48 -0.01 0.03 -0.04 2.02 0.52 3k2hB1 PRO 331 HG2 -0.43 0.09 0.02 -0.04 2.03 1.67 3k2hB1 PRO 331 HG3 -0.53 0.03 0.06 -0.04 2.03 1.55 3k2hB1 PRO 331 HD2 -0.55 0.23 -0.28 -0.04 3.68 3.04 3k2hB1 PRO 331 HD3 -1.08 0.11 0.08 -0.04 3.65 2.72 3k2hB1 ILE 332 H -0.37 0.44 -0.00 -0.55 8.25 7.76 3k2hB1 ILE 332 HA -0.34 0.24 0.62 -0.75 4.18 3.94 3k2hB1 ILE 332 HB -0.50 -0.16 0.19 -0.04 1.89 1.37 3k2hB1 ILE 332 HG12 -0.31 0.19 -0.08 -0.04 1.49 1.24 3k2hB1 ILE 332 HG13 -0.36 -0.09 -0.06 -0.04 1.21 0.66 3k2hB1 ILE 332 HG23 -0.25 0.05 -0.15 -0.04 0.93 0.54 3k2hB1 ILE 332 HD13 -0.38 -0.01 -0.00 -0.04 0.88 0.45 3k2hB1 TYR 333 H -0.48 0.14 0.11 -0.55 8.29 7.51 3k2hB1 TYR 333 HA -0.28 0.07 0.17 -0.75 4.56 3.77 3k2hB1 TYR 333 HB2 -0.92 -0.04 0.15 -0.04 3.06 2.20 3k2hB1 TYR 333 HB3 -1.34 0.05 -0.00 -0.04 2.98 1.65 3k2hB1 TYR 333 HD2 -0.19 0.03 0.05 -0.04 7.15 7.00 3k2hB1 TYR 333 HE2 -0.08 0.12 0.02 -0.04 6.85 6.87 3k2hB1 GLY 334 H -0.45 0.12 -0.04 -0.55 8.43 7.51 3k2hB1 GLY 334 HA2 -0.39 0.21 0.42 -0.51 4.01 3.74 3k2hB1 GLY 334 HA3 -0.38 0.17 0.06 -0.51 4.01 3.36 3k2hB1 PHE 335 H -0.06 0.09 -0.41 -0.55 8.34 7.41 3k2hB1 PHE 335 HA 0.03 0.11 0.37 -0.75 4.62 4.37 3k2hB1 PHE 335 HB2 -0.13 -0.04 -0.05 -0.04 3.15 2.89 3k2hB1 PHE 335 HB3 -0.22 0.10 -0.12 -0.04 3.06 2.78 3k2hB1 PHE 335 HD2 -0.29 0.06 -0.16 -0.04 7.28 6.84 3k2hB1 PHE 335 HE2 -0.99 0.00 -0.14 -0.04 7.38 6.21 3k2hB1 PHE 335 HZ -0.22 0.05 -0.54 -0.04 7.32 6.58 3k2hB1 GLN 336 H 0.04 0.52 -0.19 -0.55 8.47 8.29 3k2hB1 GLN 336 HA -0.02 -0.01 0.44 -0.75 4.36 4.01 3k2hB1 GLN 336 HB2 0.20 -0.01 0.05 -0.04 2.15 2.36 3k2hB1 GLN 336 HB3 0.26 0.03 0.12 -0.04 2.02 2.39 3k2hB1 GLN 336 HG2 -0.01 0.22 -0.05 -0.04 2.40 2.53 3k2hB1 GLN 336 HG3 -0.03 0.09 0.12 -0.04 2.39 2.53 3k2hB1 GLN 336 HE21 -0.07 -0.11 0.03 -0.04 6.97 6.78 3k2hB1 GLN 336 HE22 -0.08 0.52 0.13 -0.04 7.69 8.21 3k2hB1 TRP 337 H 0.26 0.70 -0.06 -0.55 7.97 8.32 3k2hB1 TRP 337 HA 0.03 -0.04 0.40 -0.75 4.62 4.25 3k2hB1 TRP 337 HB2 0.03 0.21 0.08 -0.04 3.23 3.51 3k2hB1 TRP 337 HB3 0.06 -0.10 -0.02 -0.04 3.23 3.14 3k2hB1 TRP 337 HD1 0.13 -0.05 -0.18 -0.04 7.22 7.08 3k2hB1 TRP 337 HE1 0.39 -0.02 -0.14 -0.04 10.20 10.39 3k2hB1 TRP 337 HE3 0.13 0.09 -0.21 -0.04 7.59 7.56 3k2hB1 TRP 337 HZ2 -0.00 -0.02 -0.10 -0.04 7.44 7.27 3k2hB1 TRP 337 HZ3 0.10 0.03 -0.13 -0.04 7.13 7.08 3k2hB1 TRP 337 HH2 -0.19 -0.02 -0.09 -0.04 7.19 6.85 3k2hB1 ARG 338 H 0.02 0.36 -0.31 -0.55 8.46 7.99 3k2hB1 ARG 338 HA -0.11 -0.06 0.89 -0.75 4.34 4.31 3k2hB1 ARG 338 HB2 -0.37 0.10 -0.01 -0.04 1.90 1.58 3k2hB1 ARG 338 HB3 -0.36 -0.07 0.04 -0.04 1.80 1.37 3k2hB1 ARG 338 HG2 0.08 0.16 0.01 -0.04 1.67 1.88 3k2hB1 ARG 338 HG3 0.02 0.05 -0.18 -0.04 1.67 1.53 3k2hB1 ARG 338 HD2 0.19 -0.16 -0.42 -0.04 3.22 2.78 3k2hB1 ARG 338 HD3 0.20 0.23 -0.02 -0.04 3.22 3.59 3k2hB1 HIS 339 H -0.23 0.49 0.06 -0.55 8.41 8.18 3k2hB1 HIS 339 HA -0.15 0.22 0.68 -0.75 4.63 4.62 3k2hB1 HIS 339 HB2 -1.24 0.01 0.06 -0.04 3.26 2.04 3k2hB1 HIS 339 HB3 -0.47 -0.07 0.09 -0.04 3.20 2.70 3k2hB1 HIS 339 HD2 -0.09 0.02 -0.08 -0.04 6.97 6.78 3k2hB1 HIS 339 HE1 0.06 -0.20 -0.21 -0.04 7.75 7.35 3k2hB1 PHE 340 H 0.04 0.39 0.14 -0.55 8.34 8.35 3k2hB1 PHE 340 HA -0.12 -0.02 0.47 -0.75 4.62 4.20 3k2hB1 PHE 340 HB2 -0.04 0.30 0.31 -0.04 3.15 3.68 3k2hB1 PHE 340 HB3 -0.05 -0.07 0.23 -0.04 3.06 3.13 3k2hB1 PHE 340 HD2 0.00 0.10 -0.17 -0.04 7.28 7.17 3k2hB1 PHE 340 HE2 0.03 -0.01 -0.12 -0.04 7.38 7.24 3k2hB1 PHE 340 HZ 0.03 -0.06 0.01 -0.04 7.32 7.26 3k2hB1 GLY 341 H -0.29 0.16 0.23 -0.55 8.43 7.98 3k2hB1 GLY 341 HA2 -0.01 -0.04 0.36 -0.51 4.01 3.81 3k2hB1 GLY 341 HA3 0.17 0.10 0.61 -0.51 4.01 4.38 3k2hB1 ALA 342 H -0.04 0.51 -0.31 -0.55 8.40 8.02 3k2hB1 ALA 342 HA 0.09 -0.00 0.51 -0.75 4.34 4.18 3k2hB1 ALA 342 HB3 0.01 0.02 -0.19 -0.04 1.41 1.22 3k2hB1 GLU 343 H 0.14 0.11 0.11 -0.55 8.60 8.41 3k2hB1 GLU 343 HA 0.11 0.10 0.58 -0.75 4.29 4.33 3k2hB1 GLU 343 HB2 0.08 0.00 0.10 -0.04 2.09 2.23 3k2hB1 GLU 343 HB3 0.10 -0.03 0.09 -0.04 1.99 2.10 3k2hB1 GLU 343 HG2 0.06 0.11 -0.08 -0.04 2.34 2.39 3k2hB1 GLU 343 HG3 0.04 -0.00 0.01 -0.04 2.34 2.35 3k2hB1 TYR 344 H 0.09 0.18 0.14 -0.55 8.29 8.14 3k2hB1 TYR 344 HA -0.28 0.03 0.49 -0.75 4.56 4.05 3k2hB1 TYR 344 HB2 -0.71 0.04 0.06 -0.04 3.06 2.40 3k2hB1 TYR 344 HB3 -0.28 0.04 0.08 -0.04 2.98 2.78 3k2hB1 TYR 344 HD2 -1.25 0.09 -0.23 -0.04 7.15 5.72 3k2hB1 TYR 344 HE2 -0.31 0.02 -0.20 -0.04 6.85 6.32 3k2hB1 LEU 345 H -0.20 0.11 0.11 -0.55 8.37 7.84 3k2hB1 LEU 345 HA -0.07 0.20 0.78 -0.75 4.35 4.51 3k2hB1 LEU 345 HB2 -0.17 -0.18 0.24 -0.04 1.64 1.48 3k2hB1 LEU 345 HB3 -0.09 0.01 0.07 -0.04 1.64 1.58 3k2hB1 LEU 345 HG 0.06 0.16 -0.05 -0.04 1.64 1.78 3k2hB1 LEU 345 HD13 -0.09 -0.01 0.01 -0.04 0.93 0.80 3k2hB1 LEU 345 HD23 0.00 0.02 -0.17 -0.04 0.89 0.71 3k2hB1 ASP 346 H -0.30 0.17 0.24 -0.55 8.40 7.96 3k2hB1 ASP 346 HA -0.30 0.22 0.35 -0.75 4.63 4.15 3k2hB1 ASP 346 HB2 -0.08 -0.08 0.23 -0.04 2.71 2.73 3k2hB1 ASP 346 HB3 -0.06 0.23 0.04 -0.04 2.70 2.87 3k2hB1 MET 347 H -0.17 0.21 0.14 -0.55 8.47 8.10 3k2hB1 MET 347 HA -0.01 0.15 0.26 -0.75 4.52 4.17 3k2hB1 MET 347 HB2 -0.03 -0.07 0.03 -0.04 2.15 2.04 3k2hB1 MET 347 HB3 0.01 0.02 0.09 -0.04 2.03 2.10 3k2hB1 MET 347 HG2 -0.40 -0.02 0.05 -0.04 2.63 2.22 3k2hB1 MET 347 HG3 -0.63 0.06 -0.24 -0.04 2.56 1.71 3k2hB1 MET 347 HE3 0.03 0.04 -0.07 -0.04 2.10 2.05 3k2hB1 HIS 348 H -0.19 -0.02 -0.52 -0.55 8.41 7.13 3k2hB1 HIS 348 HA -0.02 0.22 0.88 -0.75 4.63 4.95 3k2hB1 HIS 348 HB2 -0.07 -0.01 -0.07 -0.04 3.26 3.08 3k2hB1 HIS 348 HB3 -0.04 0.04 0.07 -0.04 3.20 3.22 3k2hB1 HIS 348 HD2 -0.02 0.02 -0.03 -0.04 6.97 6.90 3k2hB1 HIS 348 HE1 0.03 -0.00 -0.05 -0.04 7.75 7.69 3k2hB1 ALA 349 H -0.19 0.27 -0.04 -0.55 8.40 7.89 3k2hB1 ALA 349 HA -0.22 0.05 0.32 -0.75 4.34 3.74 3k2hB1 ALA 349 HB3 -0.57 0.01 0.10 -0.04 1.41 0.90 3k2hB1 ASP 350 H -0.27 0.12 0.17 -0.55 8.40 7.87 3k2hB1 ASP 350 HA -0.18 0.10 0.75 -0.75 4.63 4.55 3k2hB1 ASP 350 HB2 -0.11 0.03 0.16 -0.04 2.71 2.75 3k2hB1 ASP 350 HB3 -0.13 0.02 0.21 -0.04 2.70 2.76 3k2hB1 TYR 351 H -0.14 0.22 0.08 -0.55 8.29 7.89 3k2hB1 TYR 351 HA -0.12 0.22 0.79 -0.75 4.56 4.69 3k2hB1 TYR 351 HB2 -0.85 0.03 -0.00 -0.04 3.06 2.20 3k2hB1 TYR 351 HB3 -0.69 0.06 0.09 -0.04 2.98 2.40 3k2hB1 TYR 351 HD2 -0.02 0.04 -0.08 -0.04 7.15 7.04 3k2hB1 TYR 351 HE2 -0.12 0.14 0.00 -0.04 6.85 6.84 3k2hB1 THR 352 H -0.01 -0.00 -0.17 -0.55 8.28 7.55 3k2hB1 THR 352 HA 0.18 0.02 0.34 -0.75 4.39 4.18 3k2hB1 THR 352 HB 0.02 0.00 0.06 -0.04 4.32 4.36 3k2hB1 THR 352 HG23 0.05 0.01 -0.12 -0.04 1.22 1.11 3k2hB1 GLY 353 H 0.14 0.11 0.19 -0.55 8.43 8.33 3k2hB1 GLY 353 HA2 0.07 0.00 0.33 -0.51 4.01 3.91 3k2hB1 GLY 353 HA3 0.06 -0.00 0.40 -0.51 4.01 3.95 3k2hB1 LYS 354 H 0.19 0.50 -0.21 -0.55 8.42 8.35 3k2hB1 LYS 354 HA 0.08 0.11 0.97 -0.75 4.32 4.72 3k2hB1 LYS 354 HB2 0.13 0.09 0.05 -0.04 1.87 2.10 3k2hB1 LYS 354 HB3 0.12 -0.13 0.04 -0.04 1.79 1.77 3k2hB1 LYS 354 HG2 0.06 0.21 -0.45 -0.04 1.46 1.24 3k2hB1 LYS 354 HG3 0.07 -0.04 -0.09 -0.04 1.46 1.36 3k2hB1 LYS 354 HD2 0.07 -0.09 0.02 -0.04 1.69 1.65 3k2hB1 LYS 354 HD3 0.06 0.10 0.00 -0.04 1.68 1.80 3k2hB1 LYS 354 HE2 0.03 -0.06 -0.01 -0.04 2.99 2.92 3k2hB1 LYS 354 HE3 0.03 0.04 -0.06 -0.04 2.99 2.95 3k2hB1 GLY 355 H 0.07 0.06 0.08 -0.55 8.43 8.09 3k2hB1 GLY 355 HA2 0.06 0.00 0.19 -0.51 4.01 3.76 3k2hB1 GLY 355 HA3 0.03 0.09 0.21 -0.51 4.01 3.83 3k2hB1 ILE 356 H 0.07 0.53 0.02 -0.55 8.25 8.32 3k2hB1 ILE 356 HA 0.00 0.11 0.63 -0.75 4.18 4.16 3k2hB1 ILE 356 HB 0.04 0.04 0.15 -0.04 1.89 2.07 3k2hB1 ILE 356 HG12 -0.00 0.01 -0.08 -0.04 1.49 1.37 3k2hB1 ILE 356 HG13 0.04 -0.04 -0.25 -0.04 1.21 0.91 3k2hB1 ILE 356 HG23 -0.07 -0.03 -0.21 -0.04 0.93 0.59 3k2hB1 ILE 356 HD13 0.00 -0.00 -0.03 -0.04 0.88 0.80 3k2hB1 ASP 357 H -0.03 0.16 0.09 -0.55 8.40 8.06 3k2hB1 ASP 357 HA -0.09 0.21 0.71 -0.75 4.63 4.70 3k2hB1 ASP 357 HB2 -0.08 0.18 0.14 -0.04 2.71 2.91 3k2hB1 ASP 357 HB3 -0.04 -0.08 0.26 -0.04 2.70 2.79 3k2hB1 GLN 358 H -0.03 0.48 0.13 -0.55 8.47 8.51 3k2hB1 GLN 358 HA -0.09 0.00 0.33 -0.75 4.36 3.84 3k2hB1 GLN 358 HB2 -0.07 0.12 0.28 -0.04 2.15 2.43 3k2hB1 GLN 358 HB3 -0.19 -0.02 0.14 -0.04 2.02 1.92 3k2hB1 GLN 358 HG2 -0.17 -0.04 0.07 -0.04 2.40 2.22 3k2hB1 GLN 358 HG3 -0.03 0.16 0.13 -0.04 2.39 2.61 3k2hB1 GLN 358 HE21 0.20 0.33 0.04 -0.04 6.97 7.50 3k2hB1 GLN 358 HE22 0.19 0.55 0.15 -0.04 7.69 8.55 3k2hB1 LEU 359 H 0.00 0.60 0.05 -0.55 8.37 8.47 3k2hB1 LEU 359 HA -0.06 0.03 0.34 -0.75 4.35 3.91 3k2hB1 LEU 359 HB2 0.12 0.02 0.05 -0.04 1.64 1.79 3k2hB1 LEU 359 HB3 0.09 0.00 0.03 -0.04 1.64 1.72 3k2hB1 LEU 359 HG 0.06 -0.03 -0.24 -0.04 1.64 1.39 3k2hB1 LEU 359 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 3k2hB1 LEU 359 HD23 0.24 0.01 -0.06 -0.04 0.89 1.04 3k2hB1 ALA 360 H -0.01 0.15 -0.16 -0.55 8.40 7.83 3k2hB1 ALA 360 HA -0.01 0.03 0.49 -0.75 4.34 4.10 3k2hB1 ALA 360 HB3 -0.01 0.02 0.09 -0.04 1.41 1.48 3k2hB1 GLU 361 H -0.04 0.67 -0.03 -0.55 8.60 8.65 3k2hB1 GLU 361 HA -0.03 0.00 0.39 -0.75 4.29 3.90 3k2hB1 GLU 361 HB2 -0.06 0.10 0.16 -0.04 2.09 2.24 3k2hB1 GLU 361 HB3 -0.06 -0.03 -0.02 -0.04 1.99 1.85 3k2hB1 GLU 361 HG2 -0.03 -0.04 0.04 -0.04 2.34 2.26 3k2hB1 GLU 361 HG3 -0.04 0.07 -0.02 -0.04 2.34 2.32 3k2hB1 ILE 362 H -0.06 0.67 -0.12 -0.55 8.25 8.20 3k2hB1 ILE 362 HA -0.04 0.02 0.36 -0.75 4.18 3.77 3k2hB1 ILE 362 HB -0.04 0.08 0.04 -0.04 1.89 1.94 3k2hB1 ILE 362 HG12 -0.11 0.12 0.06 -0.04 1.49 1.51 3k2hB1 ILE 362 HG13 -0.14 0.04 -0.26 -0.04 1.21 0.80 3k2hB1 ILE 362 HG23 0.09 -0.02 -0.21 -0.04 0.93 0.75 3k2hB1 ILE 362 HD13 -0.07 -0.03 0.01 -0.04 0.88 0.74 3k2hB1 ILE 363 H -0.05 0.52 -0.02 -0.55 8.25 8.15 3k2hB1 ILE 363 HA -0.12 0.04 0.52 -0.75 4.18 3.86 3k2hB1 ILE 363 HB -0.03 0.07 0.17 -0.04 1.89 2.06 3k2hB1 ILE 363 HG12 -0.10 -0.00 0.04 -0.04 1.49 1.39 3k2hB1 ILE 363 HG13 -0.08 -0.01 0.07 -0.04 1.21 1.15 3k2hB1 ILE 363 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.69 3k2hB1 ILE 363 HD13 0.01 -0.03 -0.05 -0.04 0.88 0.77 3k2hB1 ASN 364 H -0.04 0.59 -0.18 -0.55 8.53 8.36 3k2hB1 ASN 364 HA -0.03 0.05 0.44 -0.75 4.76 4.46 3k2hB1 ASN 364 HB2 -0.02 -0.00 0.11 -0.04 2.88 2.93 3k2hB1 ASN 364 HB3 -0.03 0.11 0.13 -0.04 2.79 2.95 3k2hB1 ASN 364 HD21 -0.02 -0.02 0.03 -0.04 7.03 6.98 3k2hB1 ASN 364 HD22 -0.02 0.03 0.09 -0.04 7.74 7.79 3k2hB1 ARG 365 H -0.04 0.42 -0.20 -0.55 8.46 8.09 3k2hB1 ARG 365 HA -0.03 -0.02 0.37 -0.75 4.34 3.90 3k2hB1 ARG 365 HB2 -0.03 0.11 0.10 -0.04 1.90 2.03 3k2hB1 ARG 365 HB3 -0.03 0.04 0.04 -0.04 1.80 1.81 3k2hB1 ARG 365 HG2 -0.02 0.04 -0.00 -0.04 1.67 1.65 3k2hB1 ARG 365 HG3 -0.02 -0.04 0.01 -0.04 1.67 1.58 3k2hB1 ARG 365 HD2 -0.02 -0.01 -0.11 -0.04 3.22 3.03 3k2hB1 ARG 365 HD3 -0.02 -0.07 -0.03 -0.04 3.22 3.06 3k2hB1 ILE 366 H -0.06 0.61 -0.13 -0.55 8.25 8.12 3k2hB1 ILE 366 HA -0.05 -0.00 0.33 -0.75 4.18 3.70 3k2hB1 ILE 366 HB -0.11 0.13 0.13 -0.04 1.89 2.00 3k2hB1 ILE 366 HG12 -0.05 -0.05 -0.02 -0.04 1.49 1.33 3k2hB1 ILE 366 HG13 -0.07 0.18 0.05 -0.04 1.21 1.32 3k2hB1 ILE 366 HG23 -0.09 -0.01 -0.13 -0.04 0.93 0.66 3k2hB1 ILE 366 HD13 -0.41 -0.04 -0.08 -0.04 0.88 0.31 3k2hB1 LYS 367 H -0.05 0.36 -0.32 -0.55 8.42 7.86 3k2hB1 LYS 367 HA -0.04 0.08 0.45 -0.75 4.32 4.06 3k2hB1 LYS 367 HB2 -0.03 0.11 0.20 -0.04 1.87 2.11 3k2hB1 LYS 367 HB3 -0.03 -0.07 0.03 -0.04 1.79 1.68 3k2hB1 LYS 367 HG2 -0.03 0.04 0.08 -0.04 1.46 1.50 3k2hB1 LYS 367 HG3 -0.04 0.05 0.07 -0.04 1.46 1.49 3k2hB1 LYS 367 HD2 -0.03 -0.07 0.04 -0.04 1.69 1.58 3k2hB1 LYS 367 HD3 -0.02 -0.04 0.04 -0.04 1.68 1.61 3k2hB1 LYS 367 HE2 -0.03 0.28 -0.01 -0.04 2.99 3.20 3k2hB1 LYS 367 HE3 -0.04 -0.06 -0.12 -0.04 2.99 2.73 3k2hB1 THR 368 H -0.03 0.46 -0.02 -0.55 8.28 8.14 3k2hB1 THR 368 HA -0.02 0.07 0.37 -0.75 4.39 4.06 3k2hB1 THR 368 HB -0.02 -0.08 0.05 -0.04 4.32 4.23 3k2hB1 THR 368 HG23 -0.02 0.02 0.02 -0.04 1.22 1.20 3k2hB1 ASN 369 H -0.03 0.71 -0.19 -0.55 8.53 8.48 3k2hB1 ASN 369 HA -0.02 0.07 0.68 -0.75 4.76 4.74 3k2hB1 ASN 369 HB2 -0.02 0.03 -0.17 -0.04 2.88 2.68 3k2hB1 ASN 369 HB3 -0.02 -0.00 0.12 -0.04 2.79 2.85 3k2hB1 ASN 369 HD21 -0.01 -0.03 -0.02 -0.04 7.03 6.93 3k2hB1 ASN 369 HD22 -0.01 0.00 0.01 -0.04 7.74 7.70 3k2hB1 PRO 370 HA -0.04 0.10 0.43 -0.51 4.44 4.41 3k2hB1 PRO 370 HB2 -0.07 -0.08 -0.02 -0.04 2.28 2.07 3k2hB1 PRO 370 HB3 -0.05 0.14 0.13 -0.04 2.02 2.21 3k2hB1 PRO 370 HG2 -0.04 -0.09 0.05 -0.04 2.03 1.91 3k2hB1 PRO 370 HG3 -0.03 0.09 0.05 -0.04 2.03 2.09 3k2hB1 PRO 370 HD2 -0.03 0.06 -0.02 -0.04 3.68 3.65 3k2hB1 PRO 370 HD3 -0.03 0.39 -0.20 -0.04 3.65 3.76 3k2hB1 ASN 371 H -0.04 0.08 -0.34 -0.55 8.53 7.69 3k2hB1 ASN 371 HA -0.08 0.18 0.57 -0.75 4.76 4.68 3k2hB1 ASN 371 HB2 -0.03 -0.01 -0.00 -0.04 2.88 2.80 3k2hB1 ASN 371 HB3 -0.02 -0.02 0.13 -0.04 2.79 2.84 3k2hB1 ASN 371 HD21 -0.03 -0.01 -0.00 -0.04 7.03 6.94 3k2hB1 ASN 371 HD22 -0.02 0.01 0.00 -0.04 7.74 7.69 3k2hB1 ASP 372 H -0.02 0.47 -0.42 -0.55 8.40 7.88 3k2hB1 ASP 372 HA -0.00 -0.00 0.59 -0.75 4.63 4.46 3k2hB1 ASP 372 HB2 -0.01 0.05 0.10 -0.04 2.71 2.81 3k2hB1 ASP 372 HB3 -0.01 0.13 0.05 -0.04 2.70 2.84 3k2hB1 ARG 373 H 0.02 0.12 0.15 -0.55 8.46 8.19 3k2hB1 ARG 373 HA 0.06 0.27 0.80 -0.75 4.34 4.72 3k2hB1 ARG 373 HB2 0.03 -0.03 0.11 -0.04 1.90 1.97 3k2hB1 ARG 373 HB3 0.05 -0.01 0.18 -0.04 1.80 1.98 3k2hB1 ARG 373 HG2 0.08 0.07 -0.08 -0.04 1.67 1.70 3k2hB1 ARG 373 HG3 0.03 0.12 -0.09 -0.04 1.67 1.70 3k2hB1 ARG 373 HD2 0.06 -0.03 0.02 -0.04 3.22 3.23 3k2hB1 ARG 373 HD3 0.06 0.02 0.00 -0.04 3.22 3.26 3k2hB1 ARG 374 H 0.01 0.09 -0.32 -0.55 8.46 7.68 3k2hB1 ARG 374 HA 0.01 0.24 0.85 -0.75 4.34 4.68 3k2hB1 ARG 374 HB2 -0.02 0.00 0.06 -0.04 1.90 1.91 3k2hB1 ARG 374 HB3 -0.03 0.01 0.18 -0.04 1.80 1.92 3k2hB1 ARG 374 HG2 -0.00 0.01 -0.03 -0.04 1.67 1.61 3k2hB1 ARG 374 HG3 0.01 0.13 -0.24 -0.04 1.67 1.52 3k2hB1 ARG 374 HD2 0.01 -0.23 -0.13 -0.04 3.22 2.82 3k2hB1 ARG 374 HD3 -0.00 0.04 -0.02 -0.04 3.22 3.19 3k2hB1 LEU 375 H 0.03 0.28 -0.26 -0.55 8.37 7.87 3k2hB1 LEU 375 HA -0.01 0.09 0.40 -0.75 4.35 4.07 3k2hB1 LEU 375 HB2 0.12 0.18 0.20 -0.04 1.64 2.10 3k2hB1 LEU 375 HB3 0.16 -0.05 0.12 -0.04 1.64 1.83 3k2hB1 LEU 375 HG 0.03 -0.06 -0.12 -0.04 1.64 1.45 3k2hB1 LEU 375 HD13 0.06 0.06 -0.07 -0.04 0.93 0.93 3k2hB1 LEU 375 HD23 0.00 0.03 -0.15 -0.04 0.89 0.73 3k2hB1 ILE 376 H -0.15 0.53 0.19 -0.55 8.25 8.28 3k2hB1 ILE 376 HA -0.43 0.31 0.93 -0.75 4.18 4.24 3k2hB1 ILE 376 HB -0.23 0.06 -0.00 -0.04 1.89 1.67 3k2hB1 ILE 376 HG12 -0.32 0.02 -0.20 -0.04 1.49 0.95 3k2hB1 ILE 376 HG13 -0.11 -0.10 -0.50 -0.04 1.21 0.46 3k2hB1 ILE 376 HG23 -0.79 -0.03 -0.27 -0.04 0.93 -0.20 3k2hB1 ILE 376 HD13 0.10 0.00 -0.08 -0.04 0.88 0.86 3k2hB1 VAL 377 H -0.96 0.66 0.33 -0.55 8.24 7.72 3k2hB1 VAL 377 HA -0.46 0.15 0.81 -0.75 4.13 3.88 3k2hB1 VAL 377 HB -2.35 -0.05 0.11 -0.04 2.12 -0.20 3k2hB1 VAL 377 HG13 -0.65 -0.01 -0.15 -0.04 0.97 0.12 3k2hB1 VAL 377 HG23 -0.46 0.01 -0.21 -0.04 0.95 0.25 3k2hB1 CYS 378 H -0.22 0.26 0.07 -0.55 8.50 8.06 3k2hB1 CYS 378 HA -0.05 0.15 1.05 -0.75 4.58 4.97 3k2hB1 CYS 378 HB2 -0.19 0.02 -0.07 -0.04 2.97 2.69 3k2hB1 CYS 378 HB3 -0.05 0.02 0.09 -0.04 2.97 2.98 3k2hB1 SER 379 H 0.33 0.72 0.28 -0.55 8.46 9.25 3k2hB1 SER 379 HA 0.30 0.18 0.80 -0.75 4.49 5.02 3k2hB1 SER 379 HB2 0.32 0.06 0.07 -0.04 3.95 4.35 3k2hB1 SER 379 HB3 0.10 -0.05 0.09 -0.04 3.93 4.02 3k2hB1 TRP 380 H 0.48 0.20 0.04 -0.55 7.97 8.14 3k2hB1 TRP 380 HA 0.07 0.15 0.63 -0.75 4.62 4.72 3k2hB1 TRP 380 HB2 0.14 0.02 0.13 -0.04 3.23 3.47 3k2hB1 TRP 380 HB3 0.14 -0.01 0.20 -0.04 3.23 3.52 3k2hB1 TRP 380 HD1 0.06 -0.04 0.03 -0.04 7.22 7.23 3k2hB1 TRP 380 HE1 0.04 0.00 -0.02 -0.04 10.20 10.18 3k2hB1 TRP 380 HE3 0.07 -0.02 -0.04 -0.04 7.59 7.56 3k2hB1 TRP 380 HZ2 0.05 0.00 -0.02 -0.04 7.44 7.43 3k2hB1 TRP 380 HZ3 0.07 0.14 -0.15 -0.04 7.13 7.16 3k2hB1 TRP 380 HH2 0.07 0.01 -0.04 -0.04 7.19 7.19 3k2hB1 ASN 381 H -0.10 0.60 -0.17 -0.55 8.53 8.31 3k2hB1 ASN 381 HA 0.07 0.08 0.61 -0.75 4.76 4.76 3k2hB1 ASN 381 HB2 -0.59 0.09 0.05 -0.04 2.88 2.39 3k2hB1 ASN 381 HB3 -0.34 0.08 0.20 -0.04 2.79 2.68 3k2hB1 ASN 381 HD21 -0.70 0.01 0.06 -0.04 7.03 6.35 3k2hB1 ASN 381 HD22 -1.06 0.04 0.09 -0.04 7.74 6.78 3k2hB1 VAL 382 H 0.01 0.30 0.17 -0.55 8.24 8.17 3k2hB1 VAL 382 HA -0.33 0.07 0.23 -0.75 4.13 3.34 3k2hB1 VAL 382 HB 0.04 -0.02 0.13 -0.04 2.12 2.23 3k2hB1 VAL 382 HG13 0.03 0.01 -0.03 -0.04 0.97 0.94 3k2hB1 VAL 382 HG23 0.20 0.05 0.07 -0.04 0.95 1.23 3k2hB1 SER 383 H -0.07 0.07 -0.14 -0.55 8.46 7.77 3k2hB1 SER 383 HA -0.06 0.10 0.48 -0.75 4.49 4.26 3k2hB1 SER 383 HB2 -0.10 -0.00 0.00 -0.04 3.95 3.81 3k2hB1 SER 383 HB3 -0.05 0.05 0.07 -0.04 3.93 3.96 3k2hB1 ASP 384 H -0.22 0.55 -0.31 -0.55 8.40 7.86 3k2hB1 ASP 384 HA -0.14 0.19 0.81 -0.75 4.63 4.74 3k2hB1 ASP 384 HB2 -0.26 0.06 0.13 -0.04 2.71 2.60 3k2hB1 ASP 384 HB3 -0.25 0.02 0.10 -0.04 2.70 2.53 3k2hB1 LEU 385 H -0.25 0.32 -0.20 -0.55 8.37 7.70 3k2hB1 LEU 385 HA -0.33 0.02 0.23 -0.75 4.35 3.51 3k2hB1 LEU 385 HB2 -0.21 0.09 0.14 -0.04 1.64 1.62 3k2hB1 LEU 385 HB3 -0.26 0.01 0.01 -0.04 1.64 1.36 3k2hB1 LEU 385 HG -0.60 0.05 -0.06 -0.04 1.64 0.99 3k2hB1 LEU 385 HD13 -0.46 0.00 0.00 -0.04 0.93 0.43 3k2hB1 LEU 385 HD23 -1.44 -0.02 -0.04 -0.04 0.89 -0.65 3k2hB1 LYS 386 H -0.09 0.14 -0.23 -0.55 8.42 7.68 3k2hB1 LYS 386 HA 0.02 0.11 0.29 -0.75 4.32 3.98 3k2hB1 LYS 386 HB2 -0.03 0.01 0.06 -0.04 1.87 1.87 3k2hB1 LYS 386 HB3 -0.01 0.03 0.07 -0.04 1.79 1.84 3k2hB1 LYS 386 HG2 -0.02 0.04 0.03 -0.04 1.46 1.47 3k2hB1 LYS 386 HG3 -0.03 -0.06 0.00 -0.04 1.46 1.33 3k2hB1 LYS 386 HD2 -0.02 0.00 0.02 -0.04 1.69 1.65 3k2hB1 LYS 386 HD3 -0.02 0.01 0.02 -0.04 1.68 1.64 3k2hB1 LYS 386 HE2 -0.02 0.02 0.01 -0.04 2.99 2.95 3k2hB1 LYS 386 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 3k2hB1 LYS 387 H -0.08 0.38 -0.41 -0.55 8.42 7.76 3k2hB1 LYS 387 HA 0.15 0.11 0.60 -0.75 4.32 4.42 3k2hB1 LYS 387 HB2 -0.21 0.10 0.08 -0.04 1.87 1.80 3k2hB1 LYS 387 HB3 -0.14 -0.09 0.13 -0.04 1.79 1.65 3k2hB1 LYS 387 HG2 0.01 0.00 -0.02 -0.04 1.46 1.42 3k2hB1 LYS 387 HG3 -0.04 -0.04 -0.02 -0.04 1.46 1.32 3k2hB1 LYS 387 HD2 -0.11 -0.04 0.07 -0.04 1.69 1.58 3k2hB1 LYS 387 HD3 0.01 0.04 0.05 -0.04 1.68 1.75 3k2hB1 LYS 387 HE2 0.00 -0.03 0.06 -0.04 2.99 2.98 3k2hB1 LYS 387 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.96 3k2hB1 MET 388 H -0.07 0.52 -0.23 -0.55 8.47 8.14 3k2hB1 MET 388 HA -0.32 0.06 0.46 -0.75 4.52 3.96 3k2hB1 MET 388 HB2 -0.14 0.13 0.00 -0.04 2.15 2.10 3k2hB1 MET 388 HB3 -0.17 -0.15 -0.31 -0.04 2.03 1.36 3k2hB1 MET 388 HG2 -0.32 -0.07 -0.40 -0.04 2.63 1.79 3k2hB1 MET 388 HG3 -0.26 0.23 -0.16 -0.04 2.56 2.33 3k2hB1 MET 388 HE3 -0.30 0.03 -0.05 -0.04 2.10 1.75 3k2hB1 ALA 389 H -0.25 0.63 0.26 -0.55 8.40 8.49 3k2hB1 ALA 389 HA -0.29 0.10 0.46 -0.75 4.34 3.86 3k2hB1 ALA 389 HB3 0.04 0.00 0.16 -0.04 1.41 1.57 3k2hB1 LEU 390 H 0.04 0.09 -0.28 -0.55 8.37 7.68 3k2hB1 LEU 390 HA 0.23 0.18 0.52 -0.75 4.35 4.53 3k2hB1 LEU 390 HB2 0.31 0.05 -0.25 -0.04 1.64 1.72 3k2hB1 LEU 390 HB3 0.46 -0.13 0.02 -0.04 1.64 1.95 3k2hB1 LEU 390 HG 0.28 0.17 -0.14 -0.04 1.64 1.91 3k2hB1 LEU 390 HD13 0.24 -0.00 0.03 -0.04 0.93 1.16 3k2hB1 LEU 390 HD23 0.22 -0.06 -0.05 -0.04 0.89 0.97 3k2hB1 PRO 391 HA -0.12 0.08 0.38 -0.51 4.44 4.27 3k2hB1 PRO 391 HB2 0.36 -0.00 -0.05 -0.04 2.28 2.54 3k2hB1 PRO 391 HB3 -0.29 0.02 0.05 -0.04 2.02 1.76 3k2hB1 PRO 391 HG2 0.13 0.01 0.02 -0.04 2.03 2.15 3k2hB1 PRO 391 HG3 -0.05 0.15 0.04 -0.04 2.03 2.13 3k2hB1 PRO 391 HD2 0.19 0.04 0.10 -0.04 3.68 3.98 3k2hB1 PRO 391 HD3 0.13 0.30 -0.04 -0.04 3.65 4.00 3k2hB1 PRO 392 HA -0.26 -0.04 0.28 -0.51 4.44 3.91 3k2hB1 PRO 392 HB2 0.26 -0.05 -0.17 -0.04 2.28 2.28 3k2hB1 PRO 392 HB3 -0.34 0.06 -0.03 -0.04 2.02 1.67 3k2hB1 PRO 392 HG2 -0.01 0.15 -0.10 -0.04 2.03 2.02 3k2hB1 PRO 392 HG3 -0.57 -0.06 0.08 -0.04 2.03 1.44 3k2hB1 PRO 392 HD2 -0.08 0.08 0.12 -0.04 3.68 3.76 3k2hB1 PRO 392 HD3 -0.24 0.15 0.20 -0.04 3.65 3.72 3k2hB1 CYS 393 H 0.48 0.05 0.14 -0.55 8.50 8.62 3k2hB1 CYS 393 HA 0.30 0.17 0.82 -0.75 4.58 5.12 3k2hB1 CYS 393 HB2 0.43 -0.13 0.15 -0.04 2.97 3.38 3k2hB1 CYS 393 HB3 0.30 0.16 0.10 -0.04 2.97 3.49 3k2hB1 HIS 394 H 0.31 0.08 0.05 -0.55 8.41 8.31 3k2hB1 HIS 394 HA 0.27 0.22 0.84 -0.75 4.63 5.20 3k2hB1 HIS 394 HB2 0.17 0.05 0.01 -0.04 3.26 3.44 3k2hB1 HIS 394 HB3 0.19 0.01 0.04 -0.04 3.20 3.39 3k2hB1 HIS 394 HD2 0.31 -0.03 0.05 -0.04 6.97 7.25 3k2hB1 HIS 394 HE1 -0.95 0.02 -0.02 -0.04 7.75 6.76 3k2hB1 CYS 395 H 0.37 0.52 0.16 -0.55 8.50 9.01 3k2hB1 CYS 395 HA 0.42 0.16 0.60 -0.75 4.58 5.00 3k2hB1 CYS 395 HB2 0.50 -0.13 0.08 -0.04 2.97 3.38 3k2hB1 CYS 395 HB3 0.49 0.19 -0.19 -0.04 2.97 3.41 3k2hB1 PHE 396 H 0.46 0.26 -0.05 -0.55 8.34 8.46 3k2hB1 PHE 396 HA 0.11 0.20 0.94 -0.75 4.62 5.12 3k2hB1 PHE 396 HB2 0.07 0.01 -0.40 -0.04 3.15 2.79 3k2hB1 PHE 396 HB3 0.09 -0.06 0.07 -0.04 3.06 3.12 3k2hB1 PHE 396 HD2 0.03 -0.05 -0.15 -0.04 7.28 7.07 3k2hB1 PHE 396 HE2 -0.03 0.01 -0.12 -0.04 7.38 7.21 3k2hB1 PHE 396 HZ -0.04 0.03 -0.09 -0.04 7.32 7.18 3k2hB1 PHE 397 H -0.48 0.64 0.38 -0.55 8.34 8.32 3k2hB1 PHE 397 HA -0.00 0.27 0.69 -0.75 4.62 4.82 3k2hB1 PHE 397 HB2 -0.23 0.04 0.05 -0.04 3.15 2.97 3k2hB1 PHE 397 HB3 -0.11 -0.08 0.10 -0.04 3.06 2.93 3k2hB1 PHE 397 HD2 -0.33 -0.02 -0.24 -0.04 7.28 6.66 3k2hB1 PHE 397 HE2 -0.25 0.01 -0.14 -0.04 7.38 6.96 3k2hB1 PHE 397 HZ -1.42 -0.00 -0.10 -0.04 7.32 5.76 3k2hB1 GLN 398 H -0.01 0.56 0.38 -0.55 8.47 8.85 3k2hB1 GLN 398 HA -0.24 0.31 1.06 -0.75 4.36 4.74 3k2hB1 GLN 398 HB2 0.02 -0.07 -0.24 -0.04 2.15 1.82 3k2hB1 GLN 398 HB3 0.06 -0.07 0.09 -0.04 2.02 2.06 3k2hB1 GLN 398 HG2 0.08 0.22 -0.21 -0.04 2.40 2.45 3k2hB1 GLN 398 HG3 0.00 -0.05 -0.20 -0.04 2.39 2.10 3k2hB1 GLN 398 HE21 0.09 -0.03 -0.04 -0.04 6.97 6.95 3k2hB1 GLN 398 HE22 0.11 0.09 -0.07 -0.04 7.69 7.78 3k2hB1 PHE 399 H 0.06 0.68 0.36 -0.55 8.34 8.89 3k2hB1 PHE 399 HA 0.15 0.25 1.16 -0.75 4.62 5.41 3k2hB1 PHE 399 HB2 0.03 -0.00 0.13 -0.04 3.15 3.26 3k2hB1 PHE 399 HB3 0.07 0.01 0.16 -0.04 3.06 3.25 3k2hB1 PHE 399 HD2 0.05 0.13 -0.05 -0.04 7.28 7.38 3k2hB1 PHE 399 HE2 0.11 -0.04 -0.14 -0.04 7.38 7.26 3k2hB1 PHE 399 HZ 0.11 -0.04 -0.17 -0.04 7.32 7.18 3k2hB1 TYR 400 H 0.37 0.44 0.35 -0.55 8.29 8.90 3k2hB1 TYR 400 HA 0.09 0.17 0.71 -0.75 4.56 4.78 3k2hB1 TYR 400 HB2 0.08 0.08 -0.23 -0.04 3.06 2.94 3k2hB1 TYR 400 HB3 0.10 -0.11 -0.06 -0.04 2.98 2.87 3k2hB1 TYR 400 HD2 0.05 -0.02 -0.15 -0.04 7.15 7.00 3k2hB1 TYR 400 HE2 0.03 -0.03 -0.11 -0.04 6.85 6.70 3k2hB1 VAL 401 H -0.48 0.33 0.21 -0.55 8.24 7.75 3k2hB1 VAL 401 HA -0.07 0.37 1.11 -0.75 4.13 4.78 3k2hB1 VAL 401 HB -0.16 0.08 0.10 -0.04 2.12 2.10 3k2hB1 VAL 401 HG13 -0.07 -0.03 -0.17 -0.04 0.97 0.66 3k2hB1 VAL 401 HG23 -0.04 0.01 -0.10 -0.04 0.95 0.78 3k2hB1 SER 402 H -0.04 0.61 0.25 -0.55 8.46 8.74 3k2hB1 SER 402 HA -0.11 0.08 0.26 -0.75 4.49 3.96 3k2hB1 SER 402 HB2 0.03 -0.03 0.12 -0.04 3.95 4.02 3k2hB1 SER 402 HB3 -0.12 0.11 0.05 -0.04 3.93 3.93 3k2hB1 ASP 403 H -0.01 0.18 0.10 -0.55 8.40 8.12 3k2hB1 ASP 403 HA 0.01 0.05 0.32 -0.75 4.63 4.25 3k2hB1 ASP 403 HB2 0.04 0.08 -0.24 -0.04 2.71 2.55 3k2hB1 ASP 403 HB3 0.03 0.04 0.19 -0.04 2.70 2.92 3k2hB1 ASN 404 H -0.01 0.03 -0.32 -0.55 8.53 7.68 3k2hB1 ASN 404 HA -0.01 0.07 0.24 -0.75 4.76 4.30 3k2hB1 ASN 404 HB2 0.00 -0.08 -0.22 -0.04 2.88 2.54 3k2hB1 ASN 404 HB3 0.01 0.20 -0.08 -0.04 2.79 2.88 3k2hB1 ASN 404 HD21 0.01 0.10 0.10 -0.04 7.03 7.20 3k2hB1 ASN 404 HD22 0.01 -0.01 0.09 -0.04 7.74 7.79 3k2hB1 LYS 405 H 0.02 0.26 -0.37 -0.55 8.42 7.77 3k2hB1 LYS 405 HA 0.04 0.19 0.51 -0.75 4.32 4.30 3k2hB1 LYS 405 HB2 0.07 0.10 -0.05 -0.04 1.87 1.95 3k2hB1 LYS 405 HB3 0.07 -0.08 -0.44 -0.04 1.79 1.30 3k2hB1 LYS 405 HG2 0.04 -0.09 -0.26 -0.04 1.46 1.11 3k2hB1 LYS 405 HG3 0.04 0.15 -0.36 -0.04 1.46 1.25 3k2hB1 LYS 405 HD2 0.06 -0.06 -0.10 -0.04 1.69 1.56 3k2hB1 LYS 405 HD3 0.05 -0.03 -0.04 -0.04 1.68 1.63 3k2hB1 LYS 405 HE2 0.04 0.03 -0.00 -0.04 2.99 3.02 3k2hB1 LYS 405 HE3 0.05 0.09 -0.05 -0.04 2.99 3.04 3k2hB1 LEU 406 H 0.05 0.68 0.18 -0.55 8.37 8.74 3k2hB1 LEU 406 HA 0.09 0.27 0.96 -0.75 4.35 4.91 3k2hB1 LEU 406 HB2 0.00 0.04 0.05 -0.04 1.64 1.69 3k2hB1 LEU 406 HB3 0.06 -0.03 0.12 -0.04 1.64 1.75 3k2hB1 LEU 406 HG 0.23 0.04 -0.14 -0.04 1.64 1.73 3k2hB1 LEU 406 HD13 -0.04 0.02 -0.01 -0.04 0.93 0.86 3k2hB1 LEU 406 HD23 -0.22 0.02 -0.12 -0.04 0.89 0.52 3k2hB1 SER 407 H 0.26 0.78 0.47 -0.55 8.46 9.42 3k2hB1 SER 407 HA 0.21 0.16 0.94 -0.75 4.49 5.05 3k2hB1 SER 407 HB2 0.29 0.03 0.06 -0.04 3.95 4.29 3k2hB1 SER 407 HB3 0.15 0.08 0.15 -0.04 3.93 4.27 3k2hB1 CYS 408 H 0.23 0.61 0.46 -0.55 8.50 9.26 3k2hB1 CYS 408 HA 0.11 0.33 1.01 -0.75 4.58 5.27 3k2hB1 CYS 408 HB2 0.32 0.02 -0.18 -0.04 2.97 3.09 3k2hB1 CYS 408 HB3 0.33 -0.06 0.09 -0.04 2.97 3.29 3k2hB1 MET 409 H 0.04 0.73 0.41 -0.55 8.47 9.10 3k2hB1 MET 409 HA -0.02 0.36 1.14 -0.75 4.52 5.24 3k2hB1 MET 409 HB2 0.01 -0.00 0.04 -0.04 2.15 2.15 3k2hB1 MET 409 HB3 0.06 -0.04 0.13 -0.04 2.03 2.15 3k2hB1 MET 409 HG2 0.05 -0.02 -0.23 -0.04 2.63 2.38 3k2hB1 MET 409 HG3 -0.04 0.03 0.01 -0.04 2.56 2.52 3k2hB1 MET 409 HE3 -0.05 -0.00 -0.08 -0.04 2.10 1.93 3k2hB1 MET 410 H -0.03 0.55 0.41 -0.55 8.47 8.85 3k2hB1 MET 410 HA 0.16 0.27 1.21 -0.75 4.52 5.40 3k2hB1 MET 410 HB2 -0.29 -0.01 -0.08 -0.04 2.15 1.73 3k2hB1 MET 410 HB3 -0.12 -0.04 0.07 -0.04 2.03 1.89 3k2hB1 MET 410 HG2 -0.01 0.14 0.02 -0.04 2.63 2.74 3k2hB1 MET 410 HG3 -1.26 -0.04 -0.09 -0.04 2.56 1.13 3k2hB1 MET 410 HE3 -0.34 -0.01 -0.12 -0.04 2.10 1.58 3k2hB1 HIS 411 H 0.32 0.73 0.37 -0.55 8.41 9.29 3k2hB1 HIS 411 HA 0.06 0.18 1.00 -0.75 4.63 5.12 3k2hB1 HIS 411 HB2 0.00 0.04 0.01 -0.04 3.26 3.27 3k2hB1 HIS 411 HB3 0.10 -0.05 0.18 -0.04 3.20 3.39 3k2hB1 HIS 411 HD2 -0.11 0.03 -0.06 -0.04 6.97 6.78 3k2hB1 HIS 411 HE1 -0.10 -0.01 -0.10 -0.04 7.75 7.50 3k2hB1 GLN 412 H -0.16 0.64 0.23 -0.55 8.47 8.63 3k2hB1 GLN 412 HA 0.22 0.26 1.15 -0.75 4.36 5.24 3k2hB1 GLN 412 HB2 0.27 -0.01 -0.07 -0.04 2.15 2.30 3k2hB1 GLN 412 HB3 0.12 -0.00 0.14 -0.04 2.02 2.23 3k2hB1 GLN 412 HG2 0.19 -0.01 -0.33 -0.04 2.40 2.21 3k2hB1 GLN 412 HG3 0.31 -0.03 -0.36 -0.04 2.39 2.28 3k2hB1 GLN 412 HE21 0.21 -0.12 -0.11 -0.04 6.97 6.91 3k2hB1 GLN 412 HE22 0.22 0.32 0.10 -0.04 7.69 8.29 3k2hB1 ARG 413 H 0.20 0.59 0.30 -0.55 8.46 8.99 3k2hB1 ARG 413 HA 0.08 0.01 0.38 -0.75 4.34 4.06 3k2hB1 ARG 413 HB2 0.02 -0.01 0.11 -0.04 1.90 1.98 3k2hB1 ARG 413 HB3 -0.01 -0.01 0.13 -0.04 1.80 1.88 3k2hB1 ARG 413 HG2 0.16 0.19 0.29 -0.04 1.67 2.26 3k2hB1 ARG 413 HG3 0.16 -0.05 0.01 -0.04 1.67 1.75 3k2hB1 ARG 413 HD2 -0.00 -0.07 -0.02 -0.04 3.22 3.09 3k2hB1 ARG 413 HD3 -0.36 -0.02 0.02 -0.04 3.22 2.83 3k2hB1 SER 414 H 0.16 0.21 -0.34 -0.55 8.46 7.95 3k2hB1 SER 414 HA 0.23 0.25 0.87 -0.75 4.49 5.09 3k2hB1 SER 414 HB2 0.19 0.09 -0.25 -0.04 3.95 3.93 3k2hB1 SER 414 HB3 0.23 -0.05 0.04 -0.04 3.93 4.11 3k2hB1 CYS 415 H 0.07 0.60 0.21 -0.55 8.50 8.82 3k2hB1 CYS 415 HA 0.07 0.09 0.80 -0.75 4.58 4.78 3k2hB1 CYS 415 HB2 -0.09 -0.02 0.17 -0.04 2.97 2.99 3k2hB1 CYS 415 HB3 -0.01 -0.02 -0.11 -0.04 2.97 2.79 3k2hB1 ASP 416 H 0.04 0.17 0.10 -0.55 8.40 8.17 3k2hB1 ASP 416 HA -0.23 0.22 0.66 -0.75 4.63 4.53 3k2hB1 ASP 416 HB2 0.31 0.15 0.12 -0.04 2.71 3.24 3k2hB1 ASP 416 HB3 0.12 -0.12 0.28 -0.04 2.70 2.93 3k2hB1 LEU 417 H -0.13 0.76 0.39 -0.55 8.37 8.84 3k2hB1 LEU 417 HA 0.08 -0.01 0.15 -0.75 4.35 3.81 3k2hB1 LEU 417 HB2 -0.05 0.06 0.07 -0.04 1.64 1.67 3k2hB1 LEU 417 HB3 -0.09 0.04 -0.08 -0.04 1.64 1.47 3k2hB1 LEU 417 HG -0.14 0.04 0.04 -0.04 1.64 1.54 3k2hB1 LEU 417 HD13 -0.17 0.01 -0.27 -0.04 0.93 0.47 3k2hB1 LEU 417 HD23 -0.14 -0.01 -0.10 -0.04 0.89 0.60 3k2hB1 GLY 418 H 0.17 0.01 -0.08 -0.55 8.43 7.98 3k2hB1 GLY 418 HA2 0.08 0.16 0.39 -0.51 4.01 4.13 3k2hB1 GLY 418 HA3 0.05 -0.02 0.27 -0.51 4.01 3.80 3k2hB1 LEU 419 H 0.12 -0.08 -0.18 -0.55 8.37 7.68 3k2hB1 LEU 419 HA -0.06 0.29 0.73 -0.75 4.35 4.55 3k2hB1 LEU 419 HB2 0.06 -0.10 0.08 -0.04 1.64 1.63 3k2hB1 LEU 419 HB3 -0.15 0.01 -0.08 -0.04 1.64 1.38 3k2hB1 LEU 419 HG -0.15 -0.06 -0.24 -0.04 1.64 1.16 3k2hB1 LEU 419 HD13 -0.05 0.01 -0.28 -0.04 0.93 0.57 3k2hB1 LEU 419 HD23 -0.14 0.06 -0.07 -0.04 0.89 0.69 3k2hB1 GLY 420 H 0.04 0.15 0.17 -0.55 8.43 8.24 3k2hB1 GLY 420 HA2 -0.08 0.08 0.44 -0.51 4.01 3.94 3k2hB1 GLY 420 HA3 0.04 -0.01 0.34 -0.51 4.01 3.87 3k2hB1 VAL 421 H 0.10 0.51 -0.05 -0.55 8.24 8.25 3k2hB1 VAL 421 HA 0.20 -0.03 0.33 -0.75 4.13 3.88 3k2hB1 VAL 421 HB 0.19 0.21 -0.01 -0.04 2.12 2.46 3k2hB1 VAL 421 HG13 0.15 0.01 -0.18 -0.04 0.97 0.91 3k2hB1 VAL 421 HG23 0.06 -0.02 -0.26 -0.04 0.95 0.69 3k2hB1 PRO 422 HA -0.19 0.05 0.36 -0.51 4.44 4.15 3k2hB1 PRO 422 HB2 0.09 0.03 -0.07 -0.04 2.28 2.29 3k2hB1 PRO 422 HB3 -0.15 -0.02 0.02 -0.04 2.02 1.83 3k2hB1 PRO 422 HG2 -0.01 0.25 -0.04 -0.04 2.03 2.19 3k2hB1 PRO 422 HG3 -0.35 0.02 -0.03 -0.04 2.03 1.63 3k2hB1 PRO 422 HD2 0.07 0.11 -0.72 -0.04 3.68 3.10 3k2hB1 PRO 422 HD3 0.11 0.25 -0.14 -0.04 3.65 3.82 3k2hB1 PHE 423 H 0.32 0.28 -0.32 -0.55 8.34 8.06 3k2hB1 PHE 423 HA -0.08 0.01 0.51 -0.75 4.62 4.30 3k2hB1 PHE 423 HB2 -0.01 0.16 0.23 -0.04 3.15 3.49 3k2hB1 PHE 423 HB3 -0.01 -0.05 -0.02 -0.04 3.06 2.94 3k2hB1 PHE 423 HD2 -0.05 0.02 -0.04 -0.04 7.28 7.17 3k2hB1 PHE 423 HE2 -0.07 -0.05 -0.08 -0.04 7.38 7.14 3k2hB1 PHE 423 HZ -0.07 -0.04 0.04 -0.04 7.32 7.21 3k2hB1 ASN 424 H 0.19 0.77 0.06 -0.55 8.53 9.00 3k2hB1 ASN 424 HA 0.06 -0.04 0.39 -0.75 4.76 4.42 3k2hB1 ASN 424 HB2 0.27 0.09 0.07 -0.04 2.88 3.28 3k2hB1 ASN 424 HB3 0.09 -0.03 -0.05 -0.04 2.79 2.76 3k2hB1 ASN 424 HD21 0.30 -0.05 -0.02 -0.04 7.03 7.22 3k2hB1 ASN 424 HD22 -0.05 -0.01 -0.01 -0.04 7.74 7.64 3k2hB1 ILE 425 H 0.07 0.66 -0.16 -0.55 8.25 8.27 3k2hB1 ILE 425 HA 0.11 -0.01 0.31 -0.75 4.18 3.83 3k2hB1 ILE 425 HB -0.23 0.10 0.12 -0.04 1.89 1.84 3k2hB1 ILE 425 HG12 0.39 -0.05 -0.05 -0.04 1.49 1.74 3k2hB1 ILE 425 HG13 0.27 0.08 -0.00 -0.04 1.21 1.52 3k2hB1 ILE 425 HG23 -0.76 -0.00 -0.17 -0.04 0.93 -0.04 3k2hB1 ILE 425 HD13 -0.02 -0.02 -0.10 -0.04 0.88 0.70 3k2hB1 ALA 426 H -0.24 0.41 -0.17 -0.55 8.40 7.85 3k2hB1 ALA 426 HA -0.60 0.06 0.30 -0.75 4.34 3.34 3k2hB1 ALA 426 HB3 -0.29 0.01 0.06 -0.04 1.41 1.15 3k2hB1 SER 427 H -0.16 0.70 -0.13 -0.55 8.46 8.33 3k2hB1 SER 427 HA -0.16 -0.00 0.29 -0.75 4.49 3.86 3k2hB1 SER 427 HB2 -0.08 0.02 0.02 -0.04 3.95 3.87 3k2hB1 SER 427 HB3 -0.14 0.05 0.09 -0.04 3.93 3.89 3k2hB1 TYR 428 H -0.26 0.59 -0.15 -0.55 8.29 7.92 3k2hB1 TYR 428 HA -0.38 0.00 0.33 -0.75 4.56 3.76 3k2hB1 TYR 428 HB2 -1.26 0.17 0.05 -0.04 3.06 1.98 3k2hB1 TYR 428 HB3 -1.19 -0.02 -0.06 -0.04 2.98 1.66 3k2hB1 TYR 428 HD2 -0.46 0.12 -0.01 -0.04 7.15 6.76 3k2hB1 TYR 428 HE2 -1.28 -0.02 -0.08 -0.04 6.85 5.43 3k2hB1 SER 429 H -0.43 0.41 -0.32 -0.55 8.46 7.57 3k2hB1 SER 429 HA -0.15 0.02 0.54 -0.75 4.49 4.14 3k2hB1 SER 429 HB2 -0.19 0.13 0.10 -0.04 3.95 3.95 3k2hB1 SER 429 HB3 -0.04 -0.02 0.02 -0.04 3.93 3.84 3k2hB1 ILE 430 H -0.07 0.48 -0.20 -0.55 8.25 7.92 3k2hB1 ILE 430 HA -0.14 0.05 0.41 -0.75 4.18 3.75 3k2hB1 ILE 430 HB -0.15 0.13 0.09 -0.04 1.89 1.92 3k2hB1 ILE 430 HG12 -0.38 -0.04 -0.10 -0.04 1.49 0.94 3k2hB1 ILE 430 HG13 0.11 0.14 -0.02 -0.04 1.21 1.39 3k2hB1 ILE 430 HG23 -0.25 -0.02 -0.20 -0.04 0.93 0.43 3k2hB1 ILE 430 HD13 -0.17 -0.03 -0.15 -0.04 0.88 0.49 3k2hB1 LEU 431 H -0.20 0.54 -0.07 -0.55 8.37 8.09 3k2hB1 LEU 431 HA -0.10 0.02 0.39 -0.75 4.35 3.90 3k2hB1 LEU 431 HB2 -0.24 0.03 0.05 -0.04 1.64 1.44 3k2hB1 LEU 431 HB3 -0.27 0.07 0.08 -0.04 1.64 1.47 3k2hB1 LEU 431 HG 0.08 0.01 -0.25 -0.04 1.64 1.44 3k2hB1 LEU 431 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 3k2hB1 LEU 431 HD23 -0.60 -0.01 -0.10 -0.04 0.89 0.14 3k2hB1 THR 432 H -0.05 0.58 -0.28 -0.55 8.28 7.98 3k2hB1 THR 432 HA 0.22 -0.00 0.34 -0.75 4.39 4.19 3k2hB1 THR 432 HB 0.07 0.12 0.07 -0.04 4.32 4.53 3k2hB1 THR 432 HG23 0.21 -0.01 -0.22 -0.04 1.22 1.16 3k2hB1 ALA 433 H -0.04 0.47 -0.27 -0.55 8.40 8.01 3k2hB1 ALA 433 HA -0.02 0.04 0.28 -0.75 4.34 3.89 3k2hB1 ALA 433 HB3 -0.08 0.02 0.04 -0.04 1.41 1.34 3k2hB1 MET 434 H -0.15 0.51 -0.31 -0.55 8.47 7.98 3k2hB1 MET 434 HA -0.18 0.03 0.40 -0.75 4.52 4.02 3k2hB1 MET 434 HB2 -0.13 0.11 0.15 -0.04 2.15 2.24 3k2hB1 MET 434 HB3 -0.07 -0.09 -0.05 -0.04 2.03 1.78 3k2hB1 MET 434 HG2 -1.53 -0.05 -0.05 -0.04 2.63 0.96 3k2hB1 MET 434 HG3 -0.47 0.20 -0.04 -0.04 2.56 2.21 3k2hB1 MET 434 HE3 -0.33 -0.01 -0.14 -0.04 2.10 1.58 3k2hB1 VAL 435 H -0.05 0.68 -0.03 -0.55 8.24 8.29 3k2hB1 VAL 435 HA -0.06 -0.04 0.42 -0.75 4.13 3.70 3k2hB1 VAL 435 HB -0.27 0.06 0.10 -0.04 2.12 1.96 3k2hB1 VAL 435 HG13 -0.54 -0.01 -0.08 -0.04 0.97 0.29 3k2hB1 VAL 435 HG23 -0.08 0.03 -0.00 -0.04 0.95 0.86 3k2hB1 ALA 436 H -0.04 0.78 -0.16 -0.55 8.40 8.43 3k2hB1 ALA 436 HA -0.04 -0.05 0.32 -0.75 4.34 3.81 3k2hB1 ALA 436 HB3 0.00 0.06 -0.04 -0.04 1.41 1.39 3k2hB1 GLN 437 H 0.02 0.46 -0.31 -0.55 8.47 8.09 3k2hB1 GLN 437 HA 0.03 0.06 0.39 -0.75 4.36 4.08 3k2hB1 GLN 437 HB2 0.07 -0.04 0.08 -0.04 2.15 2.21 3k2hB1 GLN 437 HB3 0.17 0.04 0.14 -0.04 2.02 2.33 3k2hB1 GLN 437 HG2 0.09 0.10 -0.29 -0.04 2.40 2.25 3k2hB1 GLN 437 HG3 0.05 -0.04 0.01 -0.04 2.39 2.37 3k2hB1 GLN 437 HE21 0.11 0.35 -0.04 -0.04 6.97 7.34 3k2hB1 GLN 437 HE22 0.02 0.43 -0.07 -0.04 7.69 8.03 3k2hB1 VAL 438 H 0.06 0.50 -0.08 -0.55 8.24 8.18 3k2hB1 VAL 438 HA 0.01 0.12 0.41 -0.75 4.13 3.91 3k2hB1 VAL 438 HB -0.01 0.05 0.08 -0.04 2.12 2.20 3k2hB1 VAL 438 HG13 0.06 -0.06 -0.34 -0.04 0.97 0.59 3k2hB1 VAL 438 HG23 0.01 0.01 -0.00 -0.04 0.95 0.92 3k2hB1 CYS 439 H -0.02 0.33 -0.49 -0.55 8.50 7.76 3k2hB1 CYS 439 HA -0.03 0.13 0.78 -0.75 4.58 4.70 3k2hB1 CYS 439 HB2 -0.06 0.04 0.02 -0.04 2.97 2.93 3k2hB1 CYS 439 HB3 -0.05 -0.04 0.04 -0.04 2.97 2.89 3k2hB1 GLY 440 H -0.01 0.42 -0.29 -0.55 8.43 8.01 3k2hB1 GLY 440 HA2 -0.00 0.02 0.32 -0.51 4.01 3.84 3k2hB1 GLY 440 HA3 -0.01 -0.04 0.42 -0.51 4.01 3.87 3k2hB1 LEU 441 H -0.01 0.68 -0.04 -0.55 8.37 8.45 3k2hB1 LEU 441 HA -0.00 0.12 0.75 -0.75 4.35 4.47 3k2hB1 LEU 441 HB2 -0.02 -0.05 0.05 -0.04 1.64 1.58 3k2hB1 LEU 441 HB3 0.00 -0.04 -0.11 -0.04 1.64 1.45 3k2hB1 LEU 441 HG -0.03 0.21 -0.30 -0.04 1.64 1.49 3k2hB1 LEU 441 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.68 3k2hB1 LEU 441 HD23 -0.02 -0.03 -0.17 -0.04 0.89 0.64 3k2hB1 GLY 442 H 0.01 0.64 0.34 -0.55 8.43 8.88 3k2hB1 GLY 442 HA2 0.02 0.08 0.70 -0.51 4.01 4.30 3k2hB1 GLY 442 HA3 0.03 0.04 0.44 -0.51 4.01 4.01 3k2hB1 LEU 443 H 0.04 0.16 0.17 -0.55 8.37 8.19 3k2hB1 LEU 443 HA 0.06 0.16 0.83 -0.75 4.35 4.65 3k2hB1 LEU 443 HB2 0.04 -0.02 0.02 -0.04 1.64 1.64 3k2hB1 LEU 443 HB3 0.06 -0.04 -0.23 -0.04 1.64 1.39 3k2hB1 LEU 443 HG 0.03 0.01 -0.18 -0.04 1.64 1.45 3k2hB1 LEU 443 HD13 0.02 0.04 -0.06 -0.04 0.93 0.89 3k2hB1 LEU 443 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 3k2hB1 GLY 444 H 0.10 0.73 0.16 -0.55 8.43 8.88 3k2hB1 GLY 444 HA2 0.09 0.14 0.79 -0.51 4.01 4.51 3k2hB1 GLY 444 HA3 0.12 0.01 0.21 -0.51 4.01 3.83 3k2hB1 GLU 445 H 0.13 0.17 0.24 -0.55 8.60 8.60 3k2hB1 GLU 445 HA 0.14 0.22 1.19 -0.75 4.29 5.08 3k2hB1 GLU 445 HB2 0.06 -0.03 0.04 -0.04 2.09 2.12 3k2hB1 GLU 445 HB3 0.05 0.04 -0.09 -0.04 1.99 1.95 3k2hB1 GLU 445 HG2 0.05 -0.00 -0.18 -0.04 2.34 2.16 3k2hB1 GLU 445 HG3 0.06 -0.05 -0.21 -0.04 2.34 2.10 3k2hB1 PHE 446 H 0.29 0.54 0.42 -0.55 8.34 9.04 3k2hB1 PHE 446 HA 0.09 0.25 1.08 -0.75 4.62 5.29 3k2hB1 PHE 446 HB2 0.08 0.03 0.04 -0.04 3.15 3.27 3k2hB1 PHE 446 HB3 0.15 -0.04 0.18 -0.04 3.06 3.32 3k2hB1 PHE 446 HD2 0.04 0.04 -0.05 -0.04 7.28 7.26 3k2hB1 PHE 446 HE2 -0.19 -0.06 -0.14 -0.04 7.38 6.95 3k2hB1 PHE 446 HZ -0.73 -0.05 -0.16 -0.04 7.32 6.33 3k2hB1 VAL 447 H -0.19 0.85 0.43 -0.55 8.24 8.78 3k2hB1 VAL 447 HA -0.27 0.26 1.09 -0.75 4.13 4.46 3k2hB1 VAL 447 HB -0.10 -0.03 0.21 -0.04 2.12 2.15 3k2hB1 VAL 447 HG13 -0.11 0.00 -0.13 -0.04 0.97 0.69 3k2hB1 VAL 447 HG23 -0.06 0.00 -0.16 -0.04 0.95 0.69 3k2hB1 HIS 448 H -0.23 0.76 0.32 -0.55 8.41 8.71 3k2hB1 HIS 448 HA -0.33 0.10 0.77 -0.75 4.63 4.42 3k2hB1 HIS 448 HB2 -0.52 0.01 -0.10 -0.04 3.26 2.61 3k2hB1 HIS 448 HB3 -0.07 -0.08 0.15 -0.04 3.20 3.16 3k2hB1 HIS 448 HD2 -0.01 0.19 -0.20 -0.04 6.97 6.91 3k2hB1 HIS 448 HE1 0.15 -0.03 -0.12 -0.04 7.75 7.70 3k2hB1 ASN 449 H 0.04 0.62 0.38 -0.55 8.53 9.03 3k2hB1 ASN 449 HA -0.08 0.28 1.06 -0.75 4.76 5.27 3k2hB1 ASN 449 HB2 -0.10 -0.09 0.24 -0.04 2.88 2.89 3k2hB1 ASN 449 HB3 -0.14 0.05 0.05 -0.04 2.79 2.71 3k2hB1 ASN 449 HD21 -0.00 0.00 -0.10 -0.04 7.03 6.89 3k2hB1 ASN 449 HD22 0.04 -0.05 -0.08 -0.04 7.74 7.61 3k2hB1 LEU 450 H -0.10 0.62 0.27 -0.55 8.37 8.61 3k2hB1 LEU 450 HA -0.10 0.12 0.82 -0.75 4.35 4.44 3k2hB1 LEU 450 HB2 0.08 -0.03 0.07 -0.04 1.64 1.72 3k2hB1 LEU 450 HB3 -0.02 0.01 -0.16 -0.04 1.64 1.43 3k2hB1 LEU 450 HG -0.17 0.04 -0.18 -0.04 1.64 1.29 3k2hB1 LEU 450 HD13 -0.15 -0.00 -0.12 -0.04 0.93 0.61 3k2hB1 LEU 450 HD23 -0.45 -0.02 -0.35 -0.04 0.89 0.03 3k2hB1 ALA 451 H -0.17 0.61 0.09 -0.55 8.40 8.39 3k2hB1 ALA 451 HA -0.60 0.11 0.96 -0.75 4.34 4.05 3k2hB1 ALA 451 HB3 -0.07 0.01 0.15 -0.04 1.41 1.46 3k2hB1 ASP 452 H 0.13 0.48 0.08 -0.55 8.40 8.54 3k2hB1 ASP 452 HA 0.30 0.14 0.56 -0.75 4.63 4.87 3k2hB1 ASP 452 HB2 0.23 0.02 0.17 -0.04 2.71 3.09 3k2hB1 ASP 452 HB3 0.21 0.00 0.40 -0.04 2.70 3.27 3k2hB1 ALA 453 H 0.18 0.86 0.41 -0.55 8.40 9.31 3k2hB1 ALA 453 HA -0.05 0.07 0.97 -0.75 4.34 4.58 3k2hB1 ALA 453 HB3 0.08 -0.00 -0.02 -0.04 1.41 1.43 3k2hB1 HIS 454 H -0.45 0.47 0.37 -0.55 8.41 8.25 3k2hB1 HIS 454 HA -0.01 0.43 1.11 -0.75 4.63 5.40 3k2hB1 HIS 454 HB2 -0.21 -0.04 -0.23 -0.04 3.26 2.75 3k2hB1 HIS 454 HB3 -0.06 0.04 -0.32 -0.04 3.20 2.81 3k2hB1 HIS 454 HD2 -0.80 -0.10 -0.23 -0.04 6.97 5.79 3k2hB1 HIS 454 HE1 0.06 -0.08 -0.11 -0.04 7.75 7.58 3k2hB1 ILE 455 H 0.07 0.80 0.26 -0.55 8.25 8.83 3k2hB1 ILE 455 HA 0.05 -0.07 0.93 -0.75 4.18 4.33 3k2hB1 ILE 455 HB 0.07 0.06 0.09 -0.04 1.89 2.07 3k2hB1 ILE 455 HG12 -0.03 -0.07 -0.09 -0.04 1.49 1.27 3k2hB1 ILE 455 HG13 -0.04 -0.04 -0.38 -0.04 1.21 0.71 3k2hB1 ILE 455 HG23 0.08 0.03 -0.21 -0.04 0.93 0.79 3k2hB1 ILE 455 HD13 -0.13 0.03 -0.09 -0.04 0.88 0.65 3k2hB1 TYR 456 H 0.08 0.03 0.11 -0.55 8.29 7.95 3k2hB1 TYR 456 HA -0.04 0.27 0.54 -0.75 4.56 4.57 3k2hB1 TYR 456 HB2 -0.75 -0.05 0.09 -0.04 3.06 2.31 3k2hB1 TYR 456 HB3 -0.26 -0.02 0.05 -0.04 2.98 2.71 3k2hB1 TYR 456 HD2 -0.07 0.06 -0.05 -0.04 7.15 7.06 3k2hB1 TYR 456 HE2 0.06 -0.01 -0.01 -0.04 6.85 6.85 3k2hB1 VAL 457 H 0.07 0.59 0.25 -0.55 8.24 8.61 3k2hB1 VAL 457 HA 0.16 0.12 0.31 -0.75 4.13 3.97 3k2hB1 VAL 457 HB 0.06 0.03 0.06 -0.04 2.12 2.23 3k2hB1 VAL 457 HG13 -0.07 0.04 -0.06 -0.04 0.97 0.84 3k2hB1 VAL 457 HG23 0.02 0.03 0.05 -0.04 0.95 1.01 3k2hB1 ASP 458 H 0.01 0.08 -0.29 -0.55 8.40 7.66 3k2hB1 ASP 458 HA 0.07 0.16 0.36 -0.75 4.63 4.46 3k2hB1 ASP 458 HB2 0.05 0.04 0.14 -0.04 2.71 2.90 3k2hB1 ASP 458 HB3 0.02 0.03 0.04 -0.04 2.70 2.75 3k2hB1 HIS 459 H 0.12 0.53 -0.58 -0.55 8.41 7.93 3k2hB1 HIS 459 HA 0.04 0.21 0.93 -0.75 4.63 5.05 3k2hB1 HIS 459 HB2 0.10 0.16 -0.01 -0.04 3.26 3.47 3k2hB1 HIS 459 HB3 0.05 -0.03 0.09 -0.04 3.20 3.26 3k2hB1 HIS 459 HD2 0.03 0.12 -0.33 -0.04 6.97 6.75 3k2hB1 HIS 459 HE1 0.08 -0.10 -0.03 -0.04 7.75 7.66 3k2hB1 VAL 460 H 0.11 0.39 -0.09 -0.55 8.24 8.11 3k2hB1 VAL 460 HA -0.02 0.05 0.37 -0.75 4.13 3.78 3k2hB1 VAL 460 HB 0.06 0.05 0.17 -0.04 2.12 2.36 3k2hB1 VAL 460 HG13 -0.07 0.01 -0.13 -0.04 0.97 0.75 3k2hB1 VAL 460 HG23 0.08 0.02 0.03 -0.04 0.95 1.04 3k2hB1 ASP 461 H 0.04 0.13 -0.14 -0.55 8.40 7.89 3k2hB1 ASP 461 HA 0.02 0.10 0.44 -0.75 4.63 4.43 3k2hB1 ASP 461 HB2 0.03 -0.02 0.04 -0.04 2.71 2.72 3k2hB1 ASP 461 HB3 0.02 0.06 -0.05 -0.04 2.70 2.69 3k2hB1 ALA 462 H 0.03 0.06 -0.23 -0.55 8.40 7.72 3k2hB1 ALA 462 HA -0.00 0.07 0.48 -0.75 4.34 4.13 3k2hB1 ALA 462 HB3 -0.01 0.06 0.07 -0.04 1.41 1.48 3k2hB1 VAL 463 H 0.00 0.64 -0.08 -0.55 8.24 8.26 3k2hB1 VAL 463 HA -0.03 0.04 0.31 -0.75 4.13 3.70 3k2hB1 VAL 463 HB -0.08 -0.02 0.02 -0.04 2.12 1.99 3k2hB1 VAL 463 HG13 0.01 0.00 -0.04 -0.04 0.97 0.90 3k2hB1 VAL 463 HG23 -0.09 0.04 -0.06 -0.04 0.95 0.80 3k2hB1 THR 464 H -0.05 0.53 -0.18 -0.55 8.28 8.03 3k2hB1 THR 464 HA -0.03 0.01 0.39 -0.75 4.39 4.01 3k2hB1 THR 464 HB 0.01 0.04 0.17 -0.04 4.32 4.51 3k2hB1 THR 464 HG23 0.12 -0.01 -0.11 -0.04 1.22 1.18 3k2hB1 THR 465 H -0.00 0.58 -0.05 -0.55 8.28 8.25 3k2hB1 THR 465 HA -0.01 -0.01 0.47 -0.75 4.39 4.09 3k2hB1 THR 465 HB -0.01 0.22 0.21 -0.04 4.32 4.70 3k2hB1 THR 465 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 3k2hB1 GLN 466 H -0.03 0.37 -0.24 -0.55 8.47 8.02 3k2hB1 GLN 466 HA -0.07 0.09 0.30 -0.75 4.36 3.92 3k2hB1 GLN 466 HB2 -0.01 0.03 0.02 -0.04 2.15 2.14 3k2hB1 GLN 466 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 3k2hB1 GLN 466 HG2 0.00 -0.04 -0.28 -0.04 2.40 2.04 3k2hB1 GLN 466 HG3 -0.03 0.20 -0.08 -0.04 2.39 2.43 3k2hB1 GLN 466 HE21 0.10 -0.03 -0.15 -0.04 6.97 6.84 3k2hB1 GLN 466 HE22 0.06 -0.12 -0.22 -0.04 7.69 7.37 3k2hB1 ILE 467 H -0.04 0.60 -0.07 -0.55 8.25 8.19 3k2hB1 ILE 467 HA -0.05 0.03 0.48 -0.75 4.18 3.88 3k2hB1 ILE 467 HB -0.02 -0.12 0.12 -0.04 1.89 1.83 3k2hB1 ILE 467 HG12 -0.02 0.21 0.11 -0.04 1.49 1.75 3k2hB1 ILE 467 HG13 0.01 0.06 -0.27 -0.04 1.21 0.96 3k2hB1 ILE 467 HG23 -0.09 0.02 0.02 -0.04 0.93 0.83 3k2hB1 ILE 467 HD13 0.04 -0.05 -0.25 -0.04 0.88 0.58 3k2hB1 ALA 468 H -0.04 0.38 -0.43 -0.55 8.40 7.76 3k2hB1 ALA 468 HA -0.02 -0.03 0.82 -0.75 4.34 4.36 3k2hB1 ALA 468 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 3k2hB1 ARG 469 H -0.14 0.42 -0.23 -0.55 8.46 7.96 3k2hB1 ARG 469 HA -0.19 -0.01 0.56 -0.75 4.34 3.93 3k2hB1 ARG 469 HB2 -0.37 0.22 0.23 -0.04 1.90 1.93 3k2hB1 ARG 469 HB3 -1.20 -0.03 -0.04 -0.04 1.80 0.49 3k2hB1 ARG 469 HG2 -0.33 -0.08 0.03 -0.04 1.67 1.25 3k2hB1 ARG 469 HG3 -0.19 0.08 0.05 -0.04 1.67 1.57 3k2hB1 ARG 469 HD2 -0.20 0.10 0.13 -0.04 3.22 3.21 3k2hB1 ARG 469 HD3 -0.47 -0.07 0.05 -0.04 3.22 2.69 3k2hB1 ILE 470 H -0.07 0.09 0.15 -0.55 8.25 7.87 3k2hB1 ILE 470 HA -0.11 0.12 0.50 -0.75 4.18 3.93 3k2hB1 ILE 470 HB -0.06 -0.05 0.07 -0.04 1.89 1.80 3k2hB1 ILE 470 HG12 -0.02 0.01 0.14 -0.04 1.49 1.57 3k2hB1 ILE 470 HG13 -0.03 -0.06 0.06 -0.04 1.21 1.13 3k2hB1 ILE 470 HG23 -0.09 0.05 -0.10 -0.04 0.93 0.74 3k2hB1 ILE 470 HD13 -0.02 0.01 -0.02 -0.04 0.88 0.82 3k2hB1 PRO 471 HA -0.26 -0.03 0.38 -0.51 4.44 4.03 3k2hB1 PRO 471 HB2 -0.90 -0.00 -0.05 -0.04 2.28 1.28 3k2hB1 PRO 471 HB3 -0.96 -0.08 0.04 -0.04 2.02 0.98 3k2hB1 PRO 471 HG2 -1.34 -0.05 -0.02 -0.04 2.03 0.57 3k2hB1 PRO 471 HG3 -0.65 0.02 -0.01 -0.04 2.03 1.35 3k2hB1 PRO 471 HD2 -0.35 0.05 0.15 -0.04 3.68 3.49 3k2hB1 PRO 471 HD3 -0.35 0.37 0.25 -0.04 3.65 3.89 3k2hB1 HIS 472 H -0.06 0.06 0.08 -0.55 8.41 7.95 3k2hB1 HIS 472 HA -0.03 0.12 0.63 -0.75 4.63 4.59 3k2hB1 HIS 472 HB2 -0.03 0.13 0.03 -0.04 3.26 3.35 3k2hB1 HIS 472 HB3 -0.05 0.03 0.05 -0.04 3.20 3.19 3k2hB1 HIS 472 HD2 -0.12 0.03 -0.11 -0.04 6.97 6.72 3k2hB1 HIS 472 HE1 -0.19 -0.04 -0.11 -0.04 7.75 7.37 3k2hB1 PRO 473 HA -0.09 -0.06 0.45 -0.51 4.44 4.23 3k2hB1 PRO 473 HB2 -0.01 0.12 -0.07 -0.04 2.28 2.28 3k2hB1 PRO 473 HB3 -0.11 -0.02 -0.13 -0.04 2.02 1.73 3k2hB1 PRO 473 HG2 -0.02 0.06 -0.05 -0.04 2.03 1.98 3k2hB1 PRO 473 HG3 -0.04 -0.04 0.01 -0.04 2.03 1.93 3k2hB1 PRO 473 HD2 0.08 0.10 0.10 -0.04 3.68 3.93 3k2hB1 PRO 473 HD3 0.08 0.12 0.12 -0.04 3.65 3.92 3k2hB1 PHE 474 H -0.17 -0.08 0.18 -0.55 8.34 7.72 3k2hB1 PHE 474 HA 0.11 0.12 0.54 -0.75 4.62 4.63 3k2hB1 PHE 474 HB2 -0.12 -0.12 0.08 -0.04 3.15 2.95 3k2hB1 PHE 474 HB3 -0.02 0.24 0.01 -0.04 3.06 3.24 3k2hB1 PHE 474 HD2 -0.00 0.16 -0.01 -0.04 7.28 7.38 3k2hB1 PHE 474 HE2 0.11 -0.07 -0.19 -0.04 7.38 7.19 3k2hB1 PHE 474 HZ 0.14 -0.01 -0.20 -0.04 7.32 7.21 3k2hB1 PRO 475 HA 0.12 0.23 0.57 -0.51 4.44 4.85 3k2hB1 PRO 475 HB2 0.11 0.03 0.05 -0.04 2.28 2.42 3k2hB1 PRO 475 HB3 0.25 -0.05 -0.13 -0.04 2.02 2.06 3k2hB1 PRO 475 HG2 0.20 -0.04 0.03 -0.04 2.03 2.18 3k2hB1 PRO 475 HG3 0.08 -0.03 0.07 -0.04 2.03 2.10 3k2hB1 PRO 475 HD2 0.15 0.18 0.41 -0.04 3.68 4.37 3k2hB1 PRO 475 HD3 0.42 0.21 0.27 -0.04 3.65 4.50 3k2hB1 ARG 476 H 0.04 0.55 0.26 -0.55 8.46 8.76 3k2hB1 ARG 476 HA 0.05 0.06 0.79 -0.75 4.34 4.49 3k2hB1 ARG 476 HB2 -0.01 0.07 -0.03 -0.04 1.90 1.89 3k2hB1 ARG 476 HB3 0.01 0.12 -0.06 -0.04 1.80 1.82 3k2hB1 ARG 476 HG2 0.01 0.00 -0.07 -0.04 1.67 1.57 3k2hB1 ARG 476 HG3 -0.01 -0.05 -0.25 -0.04 1.67 1.31 3k2hB1 ARG 476 HD2 -0.02 0.15 -0.20 -0.04 3.22 3.11 3k2hB1 ARG 476 HD3 -0.01 0.05 -0.38 -0.04 3.22 2.83 3k2hB1 LEU 477 H -0.04 0.26 0.05 -0.55 8.37 8.09 3k2hB1 LEU 477 HA -0.26 0.24 0.99 -0.75 4.35 4.57 3k2hB1 LEU 477 HB2 -0.62 -0.05 -0.13 -0.04 1.64 0.80 3k2hB1 LEU 477 HB3 -0.15 0.07 0.00 -0.04 1.64 1.52 3k2hB1 LEU 477 HG -0.22 -0.04 -0.44 -0.04 1.64 0.90 3k2hB1 LEU 477 HD13 -0.53 0.03 -0.21 -0.04 0.93 0.18 3k2hB1 LEU 477 HD23 -0.26 0.00 -0.15 -0.04 0.89 0.45 3k2hB1 ARG 478 H -0.15 0.81 0.31 -0.55 8.46 8.89 3k2hB1 ARG 478 HA -0.05 0.00 0.83 -0.75 4.34 4.36 3k2hB1 ARG 478 HB2 -0.03 0.00 -0.09 -0.04 1.90 1.74 3k2hB1 ARG 478 HB3 -0.05 -0.06 0.07 -0.04 1.80 1.72 3k2hB1 ARG 478 HG2 -0.01 0.18 -0.30 -0.04 1.67 1.50 3k2hB1 ARG 478 HG3 -0.01 0.00 0.02 -0.04 1.67 1.65 3k2hB1 ARG 478 HD2 -0.00 0.00 -0.05 -0.04 3.22 3.12 3k2hB1 ARG 478 HD3 -0.01 -0.06 -0.13 -0.04 3.22 2.98 3k2hB1 LEU 479 H -0.03 0.22 0.08 -0.55 8.37 8.09 3k2hB1 LEU 479 HA -0.01 0.34 0.98 -0.75 4.35 4.90 3k2hB1 LEU 479 HB2 0.05 0.03 -0.03 -0.04 1.64 1.65 3k2hB1 LEU 479 HB3 0.21 0.07 0.03 -0.04 1.64 1.90 3k2hB1 LEU 479 HG -0.13 -0.08 -0.16 -0.04 1.64 1.22 3k2hB1 LEU 479 HD13 -0.22 0.01 -0.25 -0.04 0.93 0.44 3k2hB1 LEU 479 HD23 -0.31 -0.01 -0.08 -0.04 0.89 0.45 3k2hB1 ASN 480 H 0.10 0.47 0.24 -0.55 8.53 8.80 3k2hB1 ASN 480 HA 0.03 0.10 0.57 -0.75 4.76 4.70 3k2hB1 ASN 480 HB2 0.03 0.07 0.18 -0.04 2.88 3.13 3k2hB1 ASN 480 HB3 0.07 -0.02 0.24 -0.04 2.79 3.04 3k2hB1 ASN 480 HD21 -0.02 0.01 -0.04 -0.04 7.03 6.94 3k2hB1 ASN 480 HD22 -0.01 -0.01 -0.00 -0.04 7.74 7.68 3k2hB1 PRO 481 HA 0.03 0.14 0.23 -0.51 4.44 4.33 3k2hB1 PRO 481 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 3k2hB1 PRO 481 HB3 0.02 0.05 0.12 -0.04 2.02 2.17 3k2hB1 PRO 481 HG2 0.00 -0.02 0.01 -0.04 2.03 1.99 3k2hB1 PRO 481 HG3 0.01 0.03 0.07 -0.04 2.03 2.10 3k2hB1 PRO 481 HD2 0.01 -0.00 0.24 -0.04 3.68 3.88 3k2hB1 PRO 481 HD3 0.02 0.24 0.29 -0.04 3.65 4.15 3k2hB1 ASP 482 H -0.01 -0.01 -0.49 -0.55 8.40 7.34 3k2hB1 ASP 482 HA -0.03 0.15 0.43 -0.75 4.63 4.43 3k2hB1 ASP 482 HB2 -0.03 -0.04 -0.04 -0.04 2.71 2.56 3k2hB1 ASP 482 HB3 -0.04 -0.01 -0.01 -0.04 2.70 2.60 3k2hB1 ILE 483 H -0.09 0.35 -0.23 -0.55 8.25 7.73 3k2hB1 ILE 483 HA -0.21 -0.04 0.41 -0.75 4.18 3.59 3k2hB1 ILE 483 HB -0.56 0.14 0.05 -0.04 1.89 1.48 3k2hB1 ILE 483 HG12 -0.12 -0.00 0.03 -0.04 1.49 1.35 3k2hB1 ILE 483 HG13 -0.28 -0.05 -0.00 -0.04 1.21 0.83 3k2hB1 ILE 483 HG23 -1.14 -0.04 -0.21 -0.04 0.93 -0.50 3k2hB1 ILE 483 HD13 -0.15 0.00 -0.12 -0.04 0.88 0.57 3k2hB1 ARG 484 H -0.16 0.02 0.21 -0.55 8.46 7.98 3k2hB1 ARG 484 HA -0.07 0.29 0.61 -0.75 4.34 4.42 3k2hB1 ARG 484 HB2 -0.07 -0.09 0.06 -0.04 1.90 1.76 3k2hB1 ARG 484 HB3 -0.05 0.03 0.12 -0.04 1.80 1.86 3k2hB1 ARG 484 HG2 -0.07 0.20 -0.22 -0.04 1.67 1.55 3k2hB1 ARG 484 HG3 -0.06 -0.07 0.07 -0.04 1.67 1.57 3k2hB1 ARG 484 HD2 -0.03 -0.07 0.02 -0.04 3.22 3.09 3k2hB1 ARG 484 HD3 -0.03 0.05 -0.01 -0.04 3.22 3.19 3k2hB1 ASN 485 H -0.20 0.09 0.01 -0.55 8.53 7.89 3k2hB1 ASN 485 HA -0.04 0.23 0.83 -0.75 4.76 5.02 3k2hB1 ASN 485 HB2 -0.05 0.11 -0.15 -0.04 2.88 2.74 3k2hB1 ASN 485 HB3 -0.07 -0.07 0.05 -0.04 2.79 2.65 3k2hB1 ASN 485 HD21 -0.01 0.01 0.00 -0.04 7.03 7.00 3k2hB1 ASN 485 HD22 -0.02 0.09 -0.01 -0.04 7.74 7.75 3k2hB1 ILE 486 H 0.03 0.25 0.09 -0.55 8.25 8.07 3k2hB1 ILE 486 HA 0.32 0.10 0.27 -0.75 4.18 4.11 3k2hB1 ILE 486 HB 0.12 0.08 0.04 -0.04 1.89 2.08 3k2hB1 ILE 486 HG12 0.18 0.01 -0.10 -0.04 1.49 1.54 3k2hB1 ILE 486 HG13 0.31 -0.01 0.05 -0.04 1.21 1.52 3k2hB1 ILE 486 HG23 0.08 0.01 -0.08 -0.04 0.93 0.91 3k2hB1 ILE 486 HD13 0.09 0.00 -0.09 -0.04 0.88 0.84 3k2hB1 GLU 487 H 0.03 0.04 -0.30 -0.55 8.60 7.83 3k2hB1 GLU 487 HA 0.09 0.15 0.41 -0.75 4.29 4.18 3k2hB1 GLU 487 HB2 0.02 -0.03 -0.02 -0.04 2.09 2.02 3k2hB1 GLU 487 HB3 0.04 0.04 0.05 -0.04 1.99 2.08 3k2hB1 GLU 487 HG2 0.07 0.10 -0.07 -0.04 2.34 2.40 3k2hB1 GLU 487 HG3 0.05 -0.11 -0.02 -0.04 2.34 2.22 3k2hB1 ASP 488 H -0.08 0.42 -0.36 -0.55 8.40 7.83 3k2hB1 ASP 488 HA -0.03 0.16 0.60 -0.75 4.63 4.61 3k2hB1 ASP 488 HB2 -0.23 0.01 0.07 -0.04 2.71 2.52 3k2hB1 ASP 488 HB3 -0.12 -0.03 0.07 -0.04 2.70 2.58 3k2hB1 PHE 489 H -0.00 0.25 -0.23 -0.55 8.34 7.80 3k2hB1 PHE 489 HA -0.01 -0.06 0.39 -0.75 4.62 4.18 3k2hB1 PHE 489 HB2 -0.00 0.09 0.06 -0.04 3.15 3.26 3k2hB1 PHE 489 HB3 -0.02 0.01 -0.08 -0.04 3.06 2.92 3k2hB1 PHE 489 HD2 -0.02 0.05 0.03 -0.04 7.28 7.30 3k2hB1 PHE 489 HE2 -0.03 0.02 -0.07 -0.04 7.38 7.25 3k2hB1 PHE 489 HZ -0.03 0.11 -0.07 -0.04 7.32 7.29 3k2hB1 THR 490 H 0.10 0.05 0.23 -0.55 8.28 8.10 3k2hB1 THR 490 HA 0.06 0.26 0.78 -0.75 4.39 4.73 3k2hB1 THR 490 HB 0.02 -0.10 0.19 -0.04 4.32 4.38 3k2hB1 THR 490 HG23 0.02 0.09 -0.03 -0.04 1.22 1.26 3k2hB1 ILE 491 H 0.01 0.19 0.12 -0.55 8.25 8.02 3k2hB1 ILE 491 HA -0.03 0.13 0.40 -0.75 4.18 3.93 3k2hB1 ILE 491 HB -0.03 0.03 0.09 -0.04 1.89 1.94 3k2hB1 ILE 491 HG12 -0.04 0.02 -0.07 -0.04 1.49 1.36 3k2hB1 ILE 491 HG13 -0.06 0.03 0.13 -0.04 1.21 1.27 3k2hB1 ILE 491 HG23 -0.02 0.01 0.04 -0.04 0.93 0.92 3k2hB1 ILE 491 HD13 -0.06 -0.01 0.03 -0.04 0.88 0.80 3k2hB1 ASP 492 H 0.00 0.05 -0.17 -0.55 8.40 7.73 3k2hB1 ASP 492 HA -0.02 0.15 0.48 -0.75 4.63 4.49 3k2hB1 ASP 492 HB2 0.00 -0.01 -0.02 -0.04 2.71 2.63 3k2hB1 ASP 492 HB3 -0.01 0.05 0.08 -0.04 2.70 2.78 3k2hB1 ASP 493 H 0.04 0.32 -0.51 -0.55 8.40 7.70 3k2hB1 ASP 493 HA 0.04 0.15 0.83 -0.75 4.63 4.90 3k2hB1 ASP 493 HB2 0.25 0.15 0.14 -0.04 2.71 3.21 3k2hB1 ASP 493 HB3 0.25 -0.03 0.22 -0.04 2.70 3.10 3k2hB1 ILE 494 H -0.03 0.37 -0.50 -0.55 8.25 7.54 3k2hB1 ILE 494 HA -0.13 0.14 0.78 -0.75 4.18 4.22 3k2hB1 ILE 494 HB -0.12 0.05 0.15 -0.04 1.89 1.93 3k2hB1 ILE 494 HG12 -0.27 0.04 -0.20 -0.04 1.49 1.02 3k2hB1 ILE 494 HG13 -0.01 -0.09 -0.44 -0.04 1.21 0.63 3k2hB1 ILE 494 HG23 -0.26 -0.02 -0.14 -0.04 0.93 0.46 3k2hB1 ILE 494 HD13 -0.11 -0.03 -0.18 -0.04 0.88 0.53 3k2hB1 VAL 495 H -0.13 0.62 0.18 -0.55 8.24 8.36 3k2hB1 VAL 495 HA -0.11 0.14 0.93 -0.75 4.13 4.34 3k2hB1 VAL 495 HB -0.07 0.03 0.09 -0.04 2.12 2.13 3k2hB1 VAL 495 HG13 -0.05 -0.01 -0.18 -0.04 0.97 0.68 3k2hB1 VAL 495 HG23 -0.04 -0.01 -0.24 -0.04 0.95 0.63 3k2hB1 VAL 496 H -0.16 0.18 0.14 -0.55 8.24 7.86 3k2hB1 VAL 496 HA -0.21 0.29 0.94 -0.75 4.13 4.38 3k2hB1 VAL 496 HB -0.18 -0.06 0.14 -0.04 2.12 1.98 3k2hB1 VAL 496 HG13 -0.09 -0.00 -0.12 -0.04 0.97 0.72 3k2hB1 VAL 496 HG23 -0.57 -0.01 -0.16 -0.04 0.95 0.17 3k2hB1 GLU 497 H -0.06 0.76 0.29 -0.55 8.60 9.04 3k2hB1 GLU 497 HA -0.01 0.14 0.92 -0.75 4.29 4.58 3k2hB1 GLU 497 HB2 -0.01 0.01 -0.06 -0.04 2.09 1.99 3k2hB1 GLU 497 HB3 0.00 0.00 -0.01 -0.04 1.99 1.94 3k2hB1 GLU 497 HG2 -0.04 -0.04 -0.33 -0.04 2.34 1.88 3k2hB1 GLU 497 HG3 -0.01 0.05 -0.15 -0.04 2.34 2.18 3k2hB1 ASP 498 H 0.02 0.15 0.17 -0.55 8.40 8.19 3k2hB1 ASP 498 HA 0.01 0.13 0.37 -0.75 4.63 4.39 3k2hB1 ASP 498 HB2 0.03 0.09 -0.03 -0.04 2.71 2.77 3k2hB1 ASP 498 HB3 0.02 0.04 0.19 -0.04 2.70 2.91 3k2hB1 TYR 499 H 0.14 0.02 -0.24 -0.55 8.29 7.66 3k2hB1 TYR 499 HA 0.02 0.18 0.74 -0.75 4.56 4.74 3k2hB1 TYR 499 HB2 0.01 -0.03 -0.04 -0.04 3.06 2.96 3k2hB1 TYR 499 HB3 -0.02 -0.06 0.10 -0.04 2.98 2.96 3k2hB1 TYR 499 HD2 0.02 0.00 0.00 -0.04 7.15 7.13 3k2hB1 TYR 499 HE2 0.02 0.08 -0.09 -0.04 6.85 6.82 3k2hB1 VAL 500 H -0.07 0.37 0.18 -0.55 8.24 8.18 3k2hB1 VAL 500 HA -0.35 0.08 0.79 -0.75 4.13 3.89 3k2hB1 VAL 500 HB -0.23 0.05 0.12 -0.04 2.12 2.02 3k2hB1 VAL 500 HG13 -0.76 -0.01 -0.09 -0.04 0.97 0.08 3k2hB1 VAL 500 HG23 -0.13 0.01 -0.12 -0.04 0.95 0.67 3k2hB1 SER 501 H -0.45 0.24 0.13 -0.55 8.46 7.83 3k2hB1 SER 501 HA -0.05 0.18 0.82 -0.75 4.49 4.70 3k2hB1 SER 501 HB2 -0.09 0.10 -0.08 -0.04 3.95 3.84 3k2hB1 SER 501 HB3 -1.04 -0.09 -0.25 -0.04 3.93 2.51 3k2hB1 HIS 502 H 0.25 0.58 0.11 -0.55 8.41 8.80 3k2hB1 HIS 502 HA 0.05 0.04 0.50 -0.75 4.63 4.46 3k2hB1 HIS 502 HB2 0.01 0.01 -0.26 -0.04 3.26 2.98 3k2hB1 HIS 502 HB3 0.01 0.05 0.05 -0.04 3.20 3.26 3k2hB1 HIS 502 HD2 -0.02 0.09 -0.07 -0.04 6.97 6.93 3k2hB1 HIS 502 HE1 -0.08 -0.09 0.03 -0.04 7.75 7.56 3k2hB1 PRO 503 HA 0.02 0.07 0.37 -0.51 4.44 4.39 3k2hB1 PRO 503 HB2 0.04 0.09 0.04 -0.04 2.28 2.40 3k2hB1 PRO 503 HB3 0.02 -0.01 0.12 -0.04 2.02 2.11 3k2hB1 PRO 503 HG2 0.05 0.02 0.07 -0.04 2.03 2.13 3k2hB1 PRO 503 HG3 0.03 0.02 0.07 -0.04 2.03 2.10 3k2hB1 PRO 503 HD2 0.15 0.13 0.16 -0.04 3.68 4.08 3k2hB1 PRO 503 HD3 0.09 0.11 0.19 -0.04 3.65 3.99 3k2hB1 PRO 504 HA 0.03 -0.02 0.59 -0.51 4.44 4.53 3k2hB1 PRO 504 HB2 0.01 -0.01 -0.08 -0.04 2.28 2.16 3k2hB1 PRO 504 HB3 0.03 0.07 0.12 -0.04 2.02 2.20 3k2hB1 PRO 504 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 3k2hB1 PRO 504 HG3 0.01 0.02 0.06 -0.04 2.03 2.08 3k2hB1 PRO 504 HD2 0.01 0.08 0.24 -0.04 3.68 3.97 3k2hB1 PRO 504 HD3 0.02 0.14 0.17 -0.04 3.65 3.93 3k2hB1 ILE 505 H 0.01 0.17 0.08 -0.55 8.25 7.96 3k2hB1 ILE 505 HA 0.00 0.23 0.84 -0.75 4.18 4.50 3k2hB1 ILE 505 HB -0.01 -0.08 0.09 -0.04 1.89 1.86 3k2hB1 ILE 505 HG12 0.00 0.06 -0.09 -0.04 1.49 1.41 3k2hB1 ILE 505 HG13 0.01 0.06 -0.27 -0.04 1.21 0.97 3k2hB1 ILE 505 HG23 -0.02 0.02 -0.09 -0.04 0.93 0.79 3k2hB1 ILE 505 HD13 -0.01 0.02 -0.04 -0.04 0.88 0.81 3k2hB1 PRO 506 HA -0.03 0.00 0.44 -0.51 4.44 4.35 3k2hB1 PRO 506 HB2 -0.01 0.00 -0.00 -0.04 2.28 2.23 3k2hB1 PRO 506 HB3 -0.01 -0.00 0.02 -0.04 2.02 1.98 3k2hB1 PRO 506 HG2 -0.00 0.04 0.03 -0.04 2.03 2.06 3k2hB1 PRO 506 HG3 -0.00 0.03 -0.02 -0.04 2.03 2.00 3k2hB1 PRO 506 HD2 -0.00 0.11 0.16 -0.04 3.68 3.91 3k2hB1 PRO 506 HD3 0.00 0.27 -0.10 -0.04 3.65 3.78 3k2hB1 MET 507 H -0.06 0.25 0.19 -0.55 8.47 8.30 3k2hB1 MET 507 HA -0.05 0.12 0.64 -0.75 4.52 4.48 3k2hB1 MET 507 HB2 -0.27 -0.02 -0.04 -0.04 2.15 1.77 3k2hB1 MET 507 HB3 -0.81 -0.06 -0.06 -0.04 2.03 1.07 3k2hB1 MET 507 HG2 -0.22 0.01 -0.01 -0.04 2.63 2.37 3k2hB1 MET 507 HG3 -0.14 0.17 -0.63 -0.04 2.56 1.92 3k2hB1 MET 507 HE3 -0.05 0.06 -0.10 -0.04 2.10 1.97 3k2hB1 ALA 508 H 0.10 0.18 0.08 -0.55 8.40 8.21 3k2hB1 ALA 508 HA -0.01 0.12 0.66 -0.75 4.34 4.36 3k2hB1 ALA 508 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 3k2hB1 MET 509 H -0.06 0.14 0.15 -0.55 8.47 8.16 3k2hB1 MET 509 HA -0.08 0.05 0.53 -0.75 4.52 4.26 3k2hB1 MET 509 HB2 -0.13 0.02 0.09 -0.04 2.15 2.08 3k2hB1 MET 509 HB3 -0.13 -0.02 0.00 -0.04 2.03 1.84 3k2hB1 MET 509 HG2 -0.17 0.07 -0.09 -0.04 2.63 2.40 3k2hB1 MET 509 HG3 -0.17 -0.04 -0.01 -0.04 2.56 2.30 3k2hB1 MET 509 HE3 -0.20 0.00 -0.28 -0.04 2.10 1.58 3k2hB1 SER 510 H -0.37 0.12 0.13 -0.55 8.46 7.79 3k2hB1 SER 510 HA -0.17 0.15 0.79 -0.75 4.49 4.50 3k2hB1 SER 510 HB2 -0.83 -0.05 0.15 -0.04 3.95 3.18 3k2hB1 SER 510 HB3 -0.26 0.08 0.01 -0.04 3.93 3.72 3k2hB1 ALA 511 H -0.06 0.20 0.01 -0.55 8.40 8.00 3k2hB1 ALA 511 HA -0.13 0.12 0.23 -0.75 4.34 3.81 3k2hB1 ALA 511 HB3 -0.07 0.03 -0.04 -0.04 1.41 1.29