============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 9 1.000 50.552 106.434 81.550 -99.200 -91.000 PHE 16 1.000 43.064 102.909 86.679 -99.200 -91.000 TRP 20 1.040 46.023 97.770 88.950 -99.200 -91.000 TRP6 20 1.020 48.005 97.126 87.833 -99.200 -91.000 HIS 21 0.900 53.425 98.874 90.883 -99.200 -91.000 HIS 44 0.900 61.567 111.833 82.219 -99.200 -91.000 TYR 48 0.840 62.589 110.555 87.050 -99.200 -91.000 PHE 55 1.000 54.923 103.789 90.345 -99.200 -91.000 TRP 87 1.040 40.518 99.590 72.999 -99.200 -91.000 TRP6 87 1.020 42.806 99.790 73.588 -99.200 -91.000 PHE 102 1.000 37.985 110.390 72.063 -99.200 -91.000 HIS 111 0.900 38.305 103.969 74.127 -99.200 -91.000 TYR 132 0.840 26.354 103.262 88.027 -99.200 -91.000 TYR 141 0.840 28.516 97.724 86.559 -99.200 -91.000 HIS 143 0.900 25.121 91.677 84.330 -99.200 -91.000 PHE 161 1.000 30.191 116.746 102.314 -99.200 -91.000 PHE 169 1.000 22.265 115.153 111.435 -99.200 -91.000 HIS 180 0.900 39.467 121.080 91.251 -99.200 -91.000 TYR 182 0.840 47.835 125.327 88.672 -99.200 -91.000 HIS 193 0.900 39.491 127.086 78.267 -99.200 -91.000 PHE 254 1.000 22.598 121.050 119.725 -99.200 -91.000 PHE 262 1.000 29.934 114.788 108.605 -99.200 -91.000 PHE 286 1.000 43.479 117.645 104.801 -99.200 -91.000 PHE 291 1.000 40.143 107.652 104.316 -99.200 -91.000 TRP 313 1.040 40.759 120.367 103.917 -99.200 -91.000 TRP6 313 1.020 41.733 122.187 102.762 -99.200 -91.000 TYR 314 0.840 37.667 117.763 96.173 -99.200 -91.000 TRP 318 1.040 46.516 108.875 95.883 -99.200 -91.000 TRP6 318 1.020 47.960 107.543 94.580 -99.200 -91.000 TYR 320 0.840 37.649 110.871 89.252 -99.200 -91.000 TRP 335 1.040 33.069 90.481 82.829 -99.200 -91.000 TRP6 335 1.020 33.793 92.539 81.930 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k2bG1 LYS 0 HA -0.03 -0.09 0.07 -0.75 4.32 3.52 3k2bG1 LYS 0 HB2 -0.03 -0.02 0.01 -0.04 1.87 1.79 3k2bG1 LYS 0 HB3 -0.07 0.04 -0.05 -0.04 1.79 1.67 3k2bG1 LYS 0 HG2 -0.06 -0.01 0.15 -0.04 1.46 1.49 3k2bG1 LYS 0 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.39 3k2bG1 LYS 0 HD2 -0.03 -0.04 0.02 -0.04 1.69 1.60 3k2bG1 LYS 0 HD3 -0.04 0.00 0.00 -0.04 1.68 1.61 3k2bG1 LYS 0 HE2 -0.08 -0.02 0.03 -0.04 2.99 2.88 3k2bG1 LYS 0 HE3 -0.05 -0.01 -0.00 -0.04 2.99 2.88 3k2bG1 LEU 1 H -0.10 0.50 0.12 -0.55 8.37 8.35 3k2bG1 LEU 1 HA -0.30 0.12 0.90 -0.75 4.35 4.31 3k2bG1 LEU 1 HB2 -0.28 0.14 0.11 -0.04 1.64 1.57 3k2bG1 LEU 1 HB3 -0.26 -0.11 0.19 -0.04 1.64 1.42 3k2bG1 LEU 1 HG -0.77 -0.10 -0.03 -0.04 1.64 0.69 3k2bG1 LEU 1 HD13 -1.06 0.02 0.04 -0.04 0.93 -0.11 3k2bG1 LEU 1 HD23 -0.73 0.01 -0.04 -0.04 0.89 0.09 3k2bG1 LYS 2 H -0.17 0.26 0.09 -0.55 8.42 8.05 3k2bG1 LYS 2 HA -0.13 0.22 0.52 -0.75 4.32 4.17 3k2bG1 LYS 2 HB2 -0.11 0.12 0.26 -0.04 1.87 2.10 3k2bG1 LYS 2 HB3 -0.09 -0.02 0.06 -0.04 1.79 1.69 3k2bG1 LYS 2 HG2 -0.08 -0.04 0.01 -0.04 1.46 1.31 3k2bG1 LYS 2 HG3 -0.08 0.07 0.13 -0.04 1.46 1.54 3k2bG1 LYS 2 HD2 -0.04 -0.06 0.03 -0.04 1.69 1.57 3k2bG1 LYS 2 HD3 -0.03 -0.05 0.01 -0.04 1.68 1.57 3k2bG1 LYS 2 HE2 -0.02 -0.05 0.02 -0.04 2.99 2.90 3k2bG1 LYS 2 HE3 -0.02 0.31 0.04 -0.04 2.99 3.27 3k2bG1 VAL 3 H -0.20 0.54 0.34 -0.55 8.24 8.38 3k2bG1 VAL 3 HA -0.24 0.24 1.08 -0.75 4.13 4.45 3k2bG1 VAL 3 HB -0.26 -0.04 -0.08 -0.04 2.12 1.70 3k2bG1 VAL 3 HG13 -0.20 -0.05 -0.27 -0.04 0.97 0.41 3k2bG1 VAL 3 HG23 -0.15 0.06 -0.07 -0.04 0.95 0.75 3k2bG1 ALA 4 H -0.37 0.68 0.39 -0.55 8.40 8.55 3k2bG1 ALA 4 HA -0.29 0.33 1.10 -0.75 4.34 4.73 3k2bG1 ALA 4 HB3 -0.91 -0.01 -0.09 -0.04 1.41 0.35 3k2bG1 ILE 5 H -0.15 0.54 0.28 -0.55 8.25 8.37 3k2bG1 ILE 5 HA -0.20 0.11 0.66 -0.75 4.18 4.00 3k2bG1 ILE 5 HB 0.02 -0.07 0.20 -0.04 1.89 2.00 3k2bG1 ILE 5 HG12 -0.12 0.01 -0.07 -0.04 1.49 1.27 3k2bG1 ILE 5 HG13 -0.07 0.05 -0.00 -0.04 1.21 1.15 3k2bG1 ILE 5 HG23 0.16 -0.01 -0.25 -0.04 0.93 0.79 3k2bG1 ILE 5 HD13 0.28 0.03 -0.07 -0.04 0.88 1.09 3k2bG1 ASN 6 H -0.09 0.49 0.16 -0.55 8.53 8.54 3k2bG1 ASN 6 HA 0.18 0.15 0.84 -0.75 4.76 5.18 3k2bG1 ASN 6 HB2 0.11 0.08 -0.05 -0.04 2.88 2.98 3k2bG1 ASN 6 HB3 0.09 -0.16 0.16 -0.04 2.79 2.84 3k2bG1 ASN 6 HD21 0.24 0.04 -0.11 -0.04 7.03 7.16 3k2bG1 ASN 6 HD22 0.42 -0.12 -0.06 -0.04 7.74 7.95 3k2bG1 GLY 7 H 0.17 0.71 0.26 -0.55 8.43 9.02 3k2bG1 GLY 7 HA2 0.16 -0.09 0.42 -0.51 4.01 3.99 3k2bG1 GLY 7 HA3 0.14 0.11 0.60 -0.51 4.01 4.34 3k2bG1 PHE 8 H 0.27 0.07 0.04 -0.55 8.34 8.17 3k2bG1 PHE 8 HA 0.05 0.17 0.48 -0.75 4.62 4.57 3k2bG1 PHE 8 HB2 0.07 0.00 -0.06 -0.04 3.15 3.12 3k2bG1 PHE 8 HB3 0.06 -0.07 0.10 -0.04 3.06 3.12 3k2bG1 PHE 8 HD2 0.06 -0.06 -0.11 -0.04 7.28 7.13 3k2bG1 PHE 8 HE2 0.07 0.13 -0.12 -0.04 7.38 7.43 3k2bG1 PHE 8 HZ 0.07 0.08 -0.11 -0.04 7.32 7.32 3k2bG1 GLY 9 H 0.07 0.40 -0.44 -0.55 8.43 7.91 3k2bG1 GLY 9 HA2 -0.01 0.22 0.63 -0.51 4.01 4.35 3k2bG1 GLY 9 HA3 0.03 0.03 0.29 -0.51 4.01 3.85 3k2bG1 ARG 10 H 0.01 0.16 0.12 -0.55 8.46 8.21 3k2bG1 ARG 10 HA -0.01 0.11 0.33 -0.75 4.34 4.01 3k2bG1 ARG 10 HB2 0.05 -0.07 0.18 -0.04 1.90 2.01 3k2bG1 ARG 10 HB3 0.06 0.03 0.05 -0.04 1.80 1.90 3k2bG1 ARG 10 HG2 0.04 -0.02 0.15 -0.04 1.67 1.80 3k2bG1 ARG 10 HG3 0.06 0.04 0.09 -0.04 1.67 1.83 3k2bG1 ARG 10 HD2 0.01 -0.01 0.05 -0.04 3.22 3.24 3k2bG1 ARG 10 HD3 0.05 0.06 0.05 -0.04 3.22 3.34 3k2bG1 ILE 11 H 0.05 0.10 -0.08 -0.55 8.25 7.76 3k2bG1 ILE 11 HA 0.11 0.06 0.38 -0.75 4.18 3.98 3k2bG1 ILE 11 HB 0.07 0.02 0.10 -0.04 1.89 2.04 3k2bG1 ILE 11 HG12 0.07 -0.13 0.07 -0.04 1.49 1.46 3k2bG1 ILE 11 HG13 0.08 0.11 0.05 -0.04 1.21 1.41 3k2bG1 ILE 11 HG23 0.15 0.03 -0.14 -0.04 0.93 0.93 3k2bG1 ILE 11 HD13 0.23 0.00 0.04 -0.04 0.88 1.11 3k2bG1 GLY 12 H 0.03 0.03 -0.24 -0.55 8.43 7.70 3k2bG1 GLY 12 HA2 0.08 0.05 0.35 -0.51 4.01 3.98 3k2bG1 GLY 12 HA3 0.08 0.11 0.31 -0.51 4.01 4.00 3k2bG1 ARG 13 H -0.22 0.76 -0.21 -0.55 8.46 8.23 3k2bG1 ARG 13 HA -0.43 0.05 0.37 -0.75 4.34 3.57 3k2bG1 ARG 13 HB2 -0.22 -0.02 -0.07 -0.04 1.90 1.55 3k2bG1 ARG 13 HB3 -0.32 0.06 -0.07 -0.04 1.80 1.42 3k2bG1 ARG 13 HG2 -1.89 -0.10 -0.21 -0.04 1.67 -0.57 3k2bG1 ARG 13 HG3 -0.48 0.00 -0.34 -0.04 1.67 0.81 3k2bG1 ARG 13 HD2 -0.40 0.04 -0.30 -0.04 3.22 2.51 3k2bG1 ARG 13 HD3 -0.47 -0.03 -0.16 -0.04 3.22 2.52 3k2bG1 ASN 14 H 0.00 0.61 -0.13 -0.55 8.53 8.47 3k2bG1 ASN 14 HA 0.14 0.02 0.36 -0.75 4.76 4.53 3k2bG1 ASN 14 HB2 0.09 0.12 0.12 -0.04 2.88 3.17 3k2bG1 ASN 14 HB3 0.04 0.00 -0.13 -0.04 2.79 2.66 3k2bG1 ASN 14 HD21 0.11 -0.13 -0.05 -0.04 7.03 6.92 3k2bG1 ASN 14 HD22 0.07 0.42 -0.01 -0.04 7.74 8.18 3k2bG1 PHE 15 H 0.16 0.71 -0.17 -0.55 8.34 8.48 3k2bG1 PHE 15 HA -0.12 -0.02 0.25 -0.75 4.62 3.97 3k2bG1 PHE 15 HB2 -0.04 -0.01 0.08 -0.04 3.15 3.15 3k2bG1 PHE 15 HB3 -0.00 0.17 0.14 -0.04 3.06 3.32 3k2bG1 PHE 15 HD2 -0.08 0.03 -0.15 -0.04 7.28 7.05 3k2bG1 PHE 15 HE2 -0.20 0.00 -0.26 -0.04 7.38 6.88 3k2bG1 PHE 15 HZ -0.19 0.04 -0.15 -0.04 7.32 6.98 3k2bG1 LEU 16 H 0.22 0.46 -0.24 -0.55 8.37 8.26 3k2bG1 LEU 16 HA 0.11 0.01 0.36 -0.75 4.35 4.09 3k2bG1 LEU 16 HB2 0.39 0.01 0.06 -0.04 1.64 2.06 3k2bG1 LEU 16 HB3 0.21 0.09 0.03 -0.04 1.64 1.92 3k2bG1 LEU 16 HG 0.22 -0.02 -0.02 -0.04 1.64 1.78 3k2bG1 LEU 16 HD13 0.31 -0.01 -0.11 -0.04 0.93 1.08 3k2bG1 LEU 16 HD23 0.35 0.00 -0.20 -0.04 0.89 1.01 3k2bG1 ARG 17 H -0.01 0.46 -0.24 -0.55 8.46 8.12 3k2bG1 ARG 17 HA -0.06 0.05 0.43 -0.75 4.34 4.01 3k2bG1 ARG 17 HB2 0.12 0.04 0.14 -0.04 1.90 2.16 3k2bG1 ARG 17 HB3 0.10 -0.03 -0.07 -0.04 1.80 1.77 3k2bG1 ARG 17 HG2 -1.99 -0.03 -0.03 -0.04 1.67 -0.42 3k2bG1 ARG 17 HG3 -0.60 -0.00 -0.02 -0.04 1.67 1.01 3k2bG1 ARG 17 HD2 -0.41 0.10 -0.05 -0.04 3.22 2.82 3k2bG1 ARG 17 HD3 -0.13 -0.09 -0.09 -0.04 3.22 2.87 3k2bG1 CYS 18 H -0.19 0.73 -0.05 -0.55 8.50 8.44 3k2bG1 CYS 18 HA -0.27 -0.00 0.25 -0.75 4.58 3.81 3k2bG1 CYS 18 HB2 -0.46 0.11 0.02 -0.04 2.97 2.60 3k2bG1 CYS 18 HB3 -0.46 -0.02 -0.14 -0.04 2.97 2.31 3k2bG1 TRP 18 H -0.08 0.52 -0.35 -0.55 7.97 7.51 3k2bG1 TRP 18 HA -0.24 0.02 0.42 -0.75 4.62 4.07 3k2bG1 TRP 18 HB2 -0.67 -0.05 0.03 -0.04 3.23 2.50 3k2bG1 TRP 18 HB3 -0.31 0.10 0.11 -0.04 3.23 3.09 3k2bG1 TRP 18 HD1 -0.16 -0.04 -0.01 -0.04 7.22 6.97 3k2bG1 TRP 18 HE1 -0.05 0.24 0.00 -0.04 10.20 10.35 3k2bG1 TRP 18 HE3 0.07 0.18 -0.04 -0.04 7.59 7.76 3k2bG1 TRP 18 HZ2 -0.01 0.20 0.14 -0.04 7.44 7.72 3k2bG1 TRP 18 HZ3 0.15 0.01 -0.03 -0.04 7.13 7.21 3k2bG1 TRP 18 HH2 0.05 0.04 0.01 -0.04 7.19 7.25 3k2bG1 HIS 18 H 0.31 0.54 -0.17 -0.55 8.41 8.55 3k2bG1 HIS 18 HA -0.56 -0.00 0.41 -0.75 4.63 3.73 3k2bG1 HIS 18 HB2 0.36 0.02 0.13 -0.04 3.26 3.72 3k2bG1 HIS 18 HB3 0.34 0.06 0.12 -0.04 3.20 3.68 3k2bG1 HIS 18 HD2 0.21 0.00 0.01 -0.04 6.97 7.15 3k2bG1 HIS 18 HE1 -0.04 0.02 -0.04 -0.04 7.75 7.65 3k2bG1 GLY 19 H -0.19 0.18 -1.54 -0.55 8.43 6.34 3k2bG1 GLY 19 HA2 -0.12 0.08 0.76 -0.51 4.01 4.23 3k2bG1 GLY 19 HA3 0.03 -0.02 0.23 -0.51 4.01 3.74 3k2bG1 ARG 20 H -0.36 0.44 0.12 -0.55 8.46 8.11 3k2bG1 ARG 20 HA -0.12 0.11 0.90 -0.75 4.34 4.48 3k2bG1 ARG 20 HB2 -0.23 -0.01 0.07 -0.04 1.90 1.69 3k2bG1 ARG 20 HB3 -0.11 0.03 0.02 -0.04 1.80 1.69 3k2bG1 ARG 20 HG2 -0.16 0.09 0.00 -0.04 1.67 1.56 3k2bG1 ARG 20 HG3 -0.09 -0.08 -0.03 -0.04 1.67 1.44 3k2bG1 ARG 20 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.08 3k2bG1 ARG 20 HD3 -0.08 0.15 -0.26 -0.04 3.22 2.99 3k2bG1 LYS 21 H -0.10 0.11 0.09 -0.55 8.42 7.97 3k2bG1 LYS 21 HA -0.15 0.05 0.55 -0.75 4.32 4.01 3k2bG1 LYS 21 HB2 -0.07 0.00 0.11 -0.04 1.87 1.88 3k2bG1 LYS 21 HB3 -0.07 0.00 0.01 -0.04 1.79 1.69 3k2bG1 LYS 21 HG2 -0.10 0.01 -0.01 -0.04 1.46 1.33 3k2bG1 LYS 21 HG3 -0.08 0.02 -0.01 -0.04 1.46 1.35 3k2bG1 LYS 21 HD2 -0.05 -0.01 0.01 -0.04 1.69 1.59 3k2bG1 LYS 21 HD3 -0.05 -0.01 -0.00 -0.04 1.68 1.57 3k2bG1 LYS 21 HE2 -0.04 0.01 0.02 -0.04 2.99 2.94 3k2bG1 LYS 21 HE3 -0.04 0.02 0.01 -0.04 2.99 2.94 3k2bG1 ASP 22 H -0.12 0.07 0.16 -0.55 8.40 7.97 3k2bG1 ASP 22 HA -0.07 0.02 0.38 -0.75 4.63 4.20 3k2bG1 ASP 22 HB2 -0.04 0.07 -0.05 -0.04 2.71 2.64 3k2bG1 ASP 22 HB3 -0.03 0.04 0.08 -0.04 2.70 2.74 3k2bG1 SER 23 H -0.11 0.08 -0.01 -0.55 8.46 7.87 3k2bG1 SER 23 HA -0.01 0.17 0.60 -0.75 4.49 4.50 3k2bG1 SER 23 HB2 -0.18 0.06 0.02 -0.04 3.95 3.81 3k2bG1 SER 23 HB3 0.03 0.08 0.12 -0.04 3.93 4.12 3k2bG1 PRO 24 HA 0.01 0.14 0.44 -0.51 4.44 4.51 3k2bG1 PRO 24 HB2 0.00 -0.00 -0.03 -0.04 2.28 2.21 3k2bG1 PRO 24 HB3 -0.01 0.05 0.06 -0.04 2.02 2.08 3k2bG1 PRO 24 HG2 0.02 0.00 0.07 -0.04 2.03 2.08 3k2bG1 PRO 24 HG3 0.01 0.08 0.06 -0.04 2.03 2.13 3k2bG1 PRO 24 HD2 0.06 0.04 0.15 -0.04 3.68 3.90 3k2bG1 PRO 24 HD3 0.02 0.18 0.27 -0.04 3.65 4.08 3k2bG1 LEU 25 H 0.20 -0.00 -0.48 -0.55 8.37 7.55 3k2bG1 LEU 25 HA -0.01 0.25 0.92 -0.75 4.35 4.75 3k2bG1 LEU 25 HB2 0.17 -0.05 -0.07 -0.04 1.64 1.65 3k2bG1 LEU 25 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.44 3k2bG1 LEU 25 HG 0.11 -0.07 -0.12 -0.04 1.64 1.52 3k2bG1 LEU 25 HD13 0.13 -0.00 -0.11 -0.04 0.93 0.91 3k2bG1 LEU 25 HD23 -0.02 0.06 -0.33 -0.04 0.89 0.56 3k2bG1 ASP 26 H -0.07 0.40 -0.04 -0.55 8.40 8.14 3k2bG1 ASP 26 HA 0.28 0.17 0.83 -0.75 4.63 5.16 3k2bG1 ASP 26 HB2 0.08 0.15 -0.19 -0.04 2.71 2.71 3k2bG1 ASP 26 HB3 -0.01 -0.07 -0.04 -0.04 2.70 2.53 3k2bG1 ILE 27 H -0.87 0.20 -0.01 -0.55 8.25 7.01 3k2bG1 ILE 27 HA -0.34 0.11 0.59 -0.75 4.18 3.78 3k2bG1 ILE 27 HB -0.51 0.02 0.08 -0.04 1.89 1.44 3k2bG1 ILE 27 HG12 -0.75 -0.03 -0.09 -0.04 1.49 0.58 3k2bG1 ILE 27 HG13 -2.48 0.04 -0.02 -0.04 1.21 -1.28 3k2bG1 ILE 27 HG23 -0.20 -0.03 -0.14 -0.04 0.93 0.53 3k2bG1 ILE 27 HD13 -0.53 0.00 -0.07 -0.04 0.88 0.25 3k2bG1 ILE 28 H -0.16 0.41 0.44 -0.55 8.25 8.39 3k2bG1 ILE 28 HA -0.04 0.26 1.02 -0.75 4.18 4.66 3k2bG1 ILE 28 HB -0.01 -0.04 0.13 -0.04 1.89 1.92 3k2bG1 ILE 28 HG12 -0.11 0.00 0.05 -0.04 1.49 1.38 3k2bG1 ILE 28 HG13 -0.05 -0.06 -0.13 -0.04 1.21 0.93 3k2bG1 ILE 28 HG23 -0.04 0.07 -0.03 -0.04 0.93 0.88 3k2bG1 ILE 28 HD13 -0.02 -0.02 -0.04 -0.04 0.88 0.77 3k2bG1 ALA 29 H -0.12 0.30 0.28 -0.55 8.40 8.31 3k2bG1 ALA 29 HA -0.02 0.29 0.83 -0.75 4.34 4.70 3k2bG1 ALA 29 HB3 0.12 -0.01 -0.10 -0.04 1.41 1.37 3k2bG1 ILE 30 H -0.02 0.83 0.34 -0.55 8.25 8.85 3k2bG1 ILE 30 HA -0.06 0.15 0.90 -0.75 4.18 4.41 3k2bG1 ILE 30 HB -0.28 -0.01 0.06 -0.04 1.89 1.62 3k2bG1 ILE 30 HG12 -0.25 0.01 -0.10 -0.04 1.49 1.11 3k2bG1 ILE 30 HG13 -0.19 0.00 -0.41 -0.04 1.21 0.57 3k2bG1 ILE 30 HG23 -0.64 -0.02 -0.22 -0.04 0.93 0.00 3k2bG1 ILE 30 HD13 -0.83 0.00 -0.16 -0.04 0.88 -0.15 3k2bG1 ASN 31 H 0.12 0.58 0.18 -0.55 8.53 8.87 3k2bG1 ASN 31 HA 0.08 0.35 1.18 -0.75 4.76 5.61 3k2bG1 ASN 31 HB2 0.28 0.04 -0.17 -0.04 2.88 3.00 3k2bG1 ASN 31 HB3 0.32 -0.05 0.02 -0.04 2.79 3.04 3k2bG1 ASN 31 HD21 0.03 0.26 -0.20 -0.04 7.03 7.08 3k2bG1 ASN 31 HD22 0.18 -0.06 -0.18 -0.04 7.74 7.64 3k2bG1 ASP 32 H 0.06 0.67 0.33 -0.55 8.40 8.92 3k2bG1 ASP 32 HA 0.13 0.09 0.77 -0.75 4.63 4.87 3k2bG1 ASP 32 HB2 0.19 0.01 -0.09 -0.04 2.71 2.79 3k2bG1 ASP 32 HB3 0.13 0.01 0.05 -0.04 2.70 2.85 3k2bG1 THR 33 H 0.10 0.17 0.08 -0.55 8.28 8.08 3k2bG1 THR 33 HA 0.05 0.08 0.40 -0.75 4.39 4.17 3k2bG1 THR 33 HB 0.05 0.08 0.18 -0.04 4.32 4.59 3k2bG1 THR 33 HG23 0.06 0.00 -0.04 -0.04 1.22 1.21 3k2bG1 GLY 34 H 0.08 0.01 -0.98 -0.55 8.43 6.99 3k2bG1 GLY 34 HA2 0.06 0.20 0.65 -0.51 4.01 4.40 3k2bG1 GLY 34 HA3 0.08 -0.07 0.25 -0.51 4.01 3.77 3k2bG1 GLY 36 H 0.07 0.25 0.16 -0.55 8.43 8.37 3k2bG1 GLY 36 HA2 0.03 0.19 0.27 -0.51 4.01 4.00 3k2bG1 GLY 36 HA3 0.04 0.04 0.49 -0.51 4.01 4.07 3k2bG1 VAL 37 H 0.03 0.20 0.19 -0.55 8.24 8.11 3k2bG1 VAL 37 HA 0.04 0.21 0.90 -0.75 4.13 4.53 3k2bG1 VAL 37 HB 0.03 0.07 -0.01 -0.04 2.12 2.16 3k2bG1 VAL 37 HG13 0.03 -0.01 -0.14 -0.04 0.97 0.80 3k2bG1 VAL 37 HG23 0.01 0.02 -0.20 -0.04 0.95 0.74 3k2bG1 LYS 38 H 0.05 0.00 0.10 -0.55 8.42 8.02 3k2bG1 LYS 38 HA 0.06 0.23 0.56 -0.75 4.32 4.42 3k2bG1 LYS 38 HB2 0.03 0.08 0.07 -0.04 1.87 2.01 3k2bG1 LYS 38 HB3 0.03 0.05 0.11 -0.04 1.79 1.94 3k2bG1 LYS 38 HG2 0.03 -0.07 0.06 -0.04 1.46 1.45 3k2bG1 LYS 38 HG3 0.04 0.01 -0.19 -0.04 1.46 1.28 3k2bG1 LYS 38 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 3k2bG1 LYS 38 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 3k2bG1 LYS 38 HE2 -0.01 -0.02 -0.12 -0.04 2.99 2.79 3k2bG1 LYS 38 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.94 3k2bG1 GLN 39 H 0.08 -0.03 -0.26 -0.55 8.47 7.72 3k2bG1 GLN 39 HA 0.15 0.17 0.47 -0.75 4.36 4.40 3k2bG1 GLN 39 HB2 0.11 -0.11 -0.04 -0.04 2.15 2.07 3k2bG1 GLN 39 HB3 0.13 0.07 -0.09 -0.04 2.02 2.08 3k2bG1 GLN 39 HG2 0.07 0.08 -0.07 -0.04 2.40 2.44 3k2bG1 GLN 39 HG3 0.06 -0.07 -0.08 -0.04 2.39 2.26 3k2bG1 GLN 39 HE21 0.05 0.11 -0.07 -0.04 6.97 7.02 3k2bG1 GLN 39 HE22 0.05 -0.02 -0.13 -0.04 7.69 7.54 3k2bG1 ALA 40 H 0.13 0.12 -0.26 -0.55 8.40 7.85 3k2bG1 ALA 40 HA 0.38 0.04 0.24 -0.75 4.34 4.24 3k2bG1 ALA 40 HB3 0.05 0.04 0.02 -0.04 1.41 1.48 3k2bG1 SER 41 H 0.13 0.23 -0.58 -0.55 8.46 7.70 3k2bG1 SER 41 HA 0.16 0.06 0.25 -0.75 4.49 4.21 3k2bG1 SER 41 HB2 0.10 0.03 -0.05 -0.04 3.95 3.99 3k2bG1 SER 41 HB3 0.13 0.08 -0.00 -0.04 3.93 4.09 3k2bG1 HIS 42 H 0.25 0.28 -0.21 -0.55 8.41 8.18 3k2bG1 HIS 42 HA 0.21 0.05 0.47 -0.75 4.63 4.61 3k2bG1 HIS 42 HB2 0.12 0.09 0.16 -0.04 3.26 3.59 3k2bG1 HIS 42 HB3 0.12 -0.03 0.18 -0.04 3.20 3.42 3k2bG1 HIS 42 HD2 0.07 -0.03 -0.10 -0.04 6.97 6.87 3k2bG1 HIS 42 HE1 -0.28 0.00 -0.01 -0.04 7.75 7.42 3k2bG1 LEU 43 H 0.21 0.68 -0.03 -0.55 8.37 8.68 3k2bG1 LEU 43 HA 0.03 0.17 0.52 -0.75 4.35 4.31 3k2bG1 LEU 43 HB2 0.13 0.04 -0.06 -0.04 1.64 1.70 3k2bG1 LEU 43 HB3 0.03 -0.05 0.01 -0.04 1.64 1.59 3k2bG1 LEU 43 HG 0.17 -0.03 -0.03 -0.04 1.64 1.71 3k2bG1 LEU 43 HD13 0.09 -0.03 -0.05 -0.04 0.93 0.89 3k2bG1 LEU 43 HD23 0.09 0.01 -0.01 -0.04 0.89 0.94 3k2bG1 LEU 44 H 0.15 0.33 -0.51 -0.55 8.37 7.80 3k2bG1 LEU 44 HA -0.01 0.02 0.48 -0.75 4.35 4.09 3k2bG1 LEU 44 HB2 0.40 -0.06 0.00 -0.04 1.64 1.94 3k2bG1 LEU 44 HB3 0.23 0.13 0.05 -0.04 1.64 2.01 3k2bG1 LEU 44 HG 0.30 0.01 -0.23 -0.04 1.64 1.67 3k2bG1 LEU 44 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 3k2bG1 LEU 44 HD23 0.34 -0.02 -0.13 -0.04 0.89 1.04 3k2bG1 LYS 45 H 0.04 0.21 -0.31 -0.55 8.42 7.80 3k2bG1 LYS 45 HA -0.00 0.07 0.67 -0.75 4.32 4.31 3k2bG1 LYS 45 HB2 -0.05 0.04 0.12 -0.04 1.87 1.94 3k2bG1 LYS 45 HB3 -0.17 0.05 0.22 -0.04 1.79 1.85 3k2bG1 LYS 45 HG2 -0.41 -0.02 0.02 -0.04 1.46 1.01 3k2bG1 LYS 45 HG3 -1.49 -0.05 -0.18 -0.04 1.46 -0.30 3k2bG1 LYS 45 HD2 -0.20 -0.02 0.21 -0.04 1.69 1.64 3k2bG1 LYS 45 HD3 -0.15 -0.07 0.10 -0.04 1.68 1.52 3k2bG1 LYS 45 HE2 -0.18 -0.04 0.05 -0.04 2.99 2.78 3k2bG1 LYS 45 HE3 -0.37 -0.09 0.01 -0.04 2.99 2.49 3k2bG1 TYR 46 H -0.04 0.59 0.09 -0.55 8.29 8.38 3k2bG1 TYR 46 HA -0.03 0.13 0.83 -0.75 4.56 4.73 3k2bG1 TYR 46 HB2 -0.31 0.01 0.12 -0.04 3.06 2.84 3k2bG1 TYR 46 HB3 -0.09 -0.05 -0.07 -0.04 2.98 2.74 3k2bG1 TYR 46 HD2 -0.27 0.07 0.03 -0.04 7.15 6.93 3k2bG1 TYR 46 HE2 0.06 -0.00 -0.02 -0.04 6.85 6.85 3k2bG1 ASP 47 H 0.04 0.48 -0.04 -0.55 8.40 8.32 3k2bG1 ASP 47 HA 0.02 0.15 0.95 -0.75 4.63 4.99 3k2bG1 ASP 47 HB2 -0.02 0.24 -0.23 -0.04 2.71 2.65 3k2bG1 ASP 47 HB3 -0.01 0.01 0.03 -0.04 2.70 2.69 3k2bG1 SER 48 H 0.03 0.19 0.11 -0.55 8.46 8.24 3k2bG1 SER 48 HA 0.03 0.13 0.36 -0.75 4.49 4.25 3k2bG1 SER 48 HB2 0.04 -0.06 0.09 -0.04 3.95 3.98 3k2bG1 SER 48 HB3 0.03 0.05 0.02 -0.04 3.93 4.00 3k2bG1 THR 49 H 0.01 -0.03 -0.18 -0.55 8.28 7.53 3k2bG1 THR 49 HA -0.01 0.24 0.77 -0.75 4.39 4.63 3k2bG1 THR 49 HB 0.02 -0.07 0.07 -0.04 4.32 4.29 3k2bG1 THR 49 HG23 -0.00 -0.00 -0.14 -0.04 1.22 1.03 3k2bG1 LEU 50 H -0.01 -0.03 -0.06 -0.55 8.37 7.71 3k2bG1 LEU 50 HA -0.12 0.10 0.51 -0.75 4.35 4.08 3k2bG1 LEU 50 HB2 -0.04 -0.01 -0.00 -0.04 1.64 1.55 3k2bG1 LEU 50 HB3 -0.11 0.12 -0.05 -0.04 1.64 1.55 3k2bG1 LEU 50 HG 0.03 -0.17 -0.06 -0.04 1.64 1.41 3k2bG1 LEU 50 HD13 0.13 0.01 -0.07 -0.04 0.93 0.96 3k2bG1 LEU 50 HD23 -0.29 0.01 -0.02 -0.04 0.89 0.54 3k2bG1 GLY 51 H -0.02 0.26 -0.34 -0.55 8.43 7.78 3k2bG1 GLY 51 HA2 0.00 0.04 0.26 -0.51 4.01 3.81 3k2bG1 GLY 51 HA3 -0.03 0.11 0.53 -0.51 4.01 4.11 3k2bG1 ILE 52 H 0.01 0.09 0.14 -0.55 8.25 7.94 3k2bG1 ILE 52 HA -0.05 0.25 0.80 -0.75 4.18 4.43 3k2bG1 ILE 52 HB -0.01 -0.03 0.10 -0.04 1.89 1.91 3k2bG1 ILE 52 HG12 0.15 0.00 -0.01 -0.04 1.49 1.59 3k2bG1 ILE 52 HG13 0.07 -0.10 0.06 -0.04 1.21 1.19 3k2bG1 ILE 52 HG23 -0.19 0.04 -0.09 -0.04 0.93 0.64 3k2bG1 ILE 52 HD13 0.11 -0.00 0.00 -0.04 0.88 0.95 3k2bG1 PHE 53 H 0.05 0.63 0.33 -0.55 8.34 8.80 3k2bG1 PHE 53 HA -0.05 0.01 0.45 -0.75 4.62 4.27 3k2bG1 PHE 53 HB2 -0.06 0.17 0.19 -0.04 3.15 3.40 3k2bG1 PHE 53 HB3 -0.11 -0.07 0.28 -0.04 3.06 3.12 3k2bG1 PHE 53 HD2 -0.02 -0.00 -0.04 -0.04 7.28 7.17 3k2bG1 PHE 53 HE2 0.00 0.03 -0.10 -0.04 7.38 7.27 3k2bG1 PHE 53 HZ -0.28 0.08 -0.05 -0.04 7.32 7.03 3k2bG1 ASP 54 H 0.14 0.17 0.18 -0.55 8.40 8.35 3k2bG1 ASP 54 HA -0.10 0.09 0.44 -0.75 4.63 4.30 3k2bG1 ASP 54 HB2 -0.01 0.03 0.17 -0.04 2.71 2.87 3k2bG1 ASP 54 HB3 -0.01 0.01 0.19 -0.04 2.70 2.85 3k2bG1 ALA 55 H -0.53 0.64 -0.36 -0.55 8.40 7.60 3k2bG1 ALA 55 HA -0.31 0.20 0.81 -0.75 4.34 4.28 3k2bG1 ALA 55 HB3 -1.14 -0.01 -0.08 -0.04 1.41 0.14 3k2bG1 ASP 56 H -0.19 0.10 0.07 -0.55 8.40 7.82 3k2bG1 ASP 56 HA -0.10 0.27 0.93 -0.75 4.63 4.98 3k2bG1 ASP 56 HB2 -0.06 0.05 0.05 -0.04 2.71 2.70 3k2bG1 ASP 56 HB3 -0.04 -0.20 0.26 -0.04 2.70 2.67 3k2bG1 VAL 57 H -0.09 0.27 -0.05 -0.55 8.24 7.82 3k2bG1 VAL 57 HA 0.00 0.42 0.87 -0.75 4.13 4.67 3k2bG1 VAL 57 HB 0.00 -0.02 0.10 -0.04 2.12 2.17 3k2bG1 VAL 57 HG13 0.10 0.02 -0.07 -0.04 0.97 0.97 3k2bG1 VAL 57 HG23 0.04 0.01 -0.13 -0.04 0.95 0.82 3k2bG1 LYS 58 H 0.03 0.60 0.44 -0.55 8.42 8.94 3k2bG1 LYS 58 HA 0.05 0.17 0.70 -0.75 4.32 4.49 3k2bG1 LYS 58 HB2 0.02 -0.05 0.01 -0.04 1.87 1.82 3k2bG1 LYS 58 HB3 0.03 -0.01 -0.01 -0.04 1.79 1.76 3k2bG1 LYS 58 HG2 0.03 -0.00 0.00 -0.04 1.46 1.45 3k2bG1 LYS 58 HG3 0.02 0.19 -0.50 -0.04 1.46 1.12 3k2bG1 LYS 58 HD2 0.01 -0.01 -0.16 -0.04 1.69 1.49 3k2bG1 LYS 58 HD3 0.01 -0.03 -0.07 -0.04 1.68 1.55 3k2bG1 LYS 58 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.87 3k2bG1 LYS 58 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 3k2bG1 PRO 59 HA 0.04 0.18 0.88 -0.51 4.44 5.03 3k2bG1 PRO 59 HB2 0.04 -0.00 0.29 -0.04 2.28 2.57 3k2bG1 PRO 59 HB3 0.05 0.07 0.13 -0.04 2.02 2.23 3k2bG1 PRO 59 HG2 0.06 0.02 0.09 -0.04 2.03 2.15 3k2bG1 PRO 59 HG3 0.08 0.02 -0.02 -0.04 2.03 2.07 3k2bG1 PRO 59 HD2 0.04 0.10 0.16 -0.04 3.68 3.94 3k2bG1 PRO 59 HD3 0.06 0.16 0.18 -0.04 3.65 4.01 3k2bG1 SER 60 H 0.03 0.11 -0.17 -0.55 8.46 7.89 3k2bG1 SER 60 HA 0.02 -0.01 0.36 -0.75 4.49 4.11 3k2bG1 SER 60 HB2 0.02 -0.02 -0.01 -0.04 3.95 3.90 3k2bG1 SER 60 HB3 0.02 -0.00 -0.05 -0.04 3.93 3.86 3k2bG1 GLY 60 H 0.02 0.23 0.37 -0.55 8.43 8.50 3k2bG1 GLY 60 HA2 0.01 -0.01 0.35 -0.51 4.01 3.85 3k2bG1 GLY 60 HA3 0.01 0.14 0.82 -0.51 4.01 4.48 3k2bG1 GLU 61 H 0.01 0.16 0.15 -0.55 8.60 8.37 3k2bG1 GLU 61 HA 0.02 0.19 0.80 -0.75 4.29 4.54 3k2bG1 GLU 61 HB2 0.01 0.02 0.08 -0.04 2.09 2.16 3k2bG1 GLU 61 HB3 0.01 -0.01 0.18 -0.04 1.99 2.13 3k2bG1 GLU 61 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 3k2bG1 GLU 61 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 3k2bG1 THR 62 H 0.01 0.08 -0.20 -0.55 8.28 7.62 3k2bG1 THR 62 HA 0.01 0.14 0.67 -0.75 4.39 4.46 3k2bG1 THR 62 HB 0.01 0.14 0.27 -0.04 4.32 4.70 3k2bG1 THR 62 HG23 0.00 -0.03 -0.17 -0.04 1.22 0.98 3k2bG1 ALA 63 H 0.01 0.31 -0.15 -0.55 8.40 8.02 3k2bG1 ALA 63 HA 0.00 0.02 0.57 -0.75 4.34 4.18 3k2bG1 ALA 63 HB3 0.01 0.12 -0.02 -0.04 1.41 1.49 3k2bG1 ILE 64 H 0.01 0.68 0.34 -0.55 8.25 8.73 3k2bG1 ILE 64 HA 0.03 0.03 1.09 -0.75 4.18 4.58 3k2bG1 ILE 64 HB 0.05 0.09 0.07 -0.04 1.89 2.07 3k2bG1 ILE 64 HG12 -0.02 0.03 -0.02 -0.04 1.49 1.44 3k2bG1 ILE 64 HG13 0.04 0.01 -0.24 -0.04 1.21 0.98 3k2bG1 ILE 64 HG23 0.03 -0.04 -0.23 -0.04 0.93 0.65 3k2bG1 ILE 64 HD13 0.04 -0.02 -0.20 -0.04 0.88 0.66 3k2bG1 SER 65 H 0.04 0.73 0.46 -0.55 8.46 9.14 3k2bG1 SER 65 HA 0.04 0.32 0.90 -0.75 4.49 4.99 3k2bG1 SER 65 HB2 0.03 0.01 -0.02 -0.04 3.95 3.93 3k2bG1 SER 65 HB3 0.03 -0.11 0.15 -0.04 3.93 3.95 3k2bG1 VAL 66 H 0.06 1.03 0.05 -0.55 8.24 8.83 3k2bG1 VAL 66 HA -0.02 0.09 0.67 -0.75 4.13 4.12 3k2bG1 VAL 66 HB 0.14 0.08 0.08 -0.04 2.12 2.38 3k2bG1 VAL 66 HG13 -0.08 -0.01 -0.12 -0.04 0.97 0.72 3k2bG1 VAL 66 HG23 0.13 -0.01 -0.30 -0.04 0.95 0.73 3k2bG1 ASP 67 H -0.04 0.37 0.08 -0.55 8.40 8.26 3k2bG1 ASP 67 HA -0.01 -0.00 0.39 -0.75 4.63 4.25 3k2bG1 ASP 67 HB2 0.16 0.20 -0.05 -0.04 2.71 2.98 3k2bG1 ASP 67 HB3 0.05 0.03 0.26 -0.04 2.70 3.00 3k2bG1 GLY 68 H 0.01 0.10 -0.14 -0.55 8.43 7.86 3k2bG1 GLY 68 HA2 0.02 -0.03 0.32 -0.51 4.01 3.80 3k2bG1 GLY 68 HA3 0.02 0.13 0.51 -0.51 4.01 4.15 3k2bG1 LYS 69 H 0.07 0.59 -0.34 -0.55 8.42 8.18 3k2bG1 LYS 69 HA 0.07 -0.03 0.39 -0.75 4.32 3.99 3k2bG1 LYS 69 HB2 0.11 -0.01 0.14 -0.04 1.87 2.07 3k2bG1 LYS 69 HB3 0.16 0.22 0.16 -0.04 1.79 2.29 3k2bG1 LYS 69 HG2 0.15 -0.03 -0.51 -0.04 1.46 1.02 3k2bG1 LYS 69 HG3 0.13 -0.01 -0.01 -0.04 1.46 1.53 3k2bG1 LYS 69 HD2 0.34 -0.01 0.01 -0.04 1.69 1.98 3k2bG1 LYS 69 HD3 0.43 -0.03 -0.03 -0.04 1.68 2.01 3k2bG1 LYS 69 HE2 0.50 -0.15 0.00 -0.04 2.99 3.30 3k2bG1 LYS 69 HE3 0.19 -0.01 -0.09 -0.04 2.99 3.03 3k2bG1 ILE 70 H 0.06 0.13 0.24 -0.55 8.25 8.12 3k2bG1 ILE 70 HA 0.05 0.21 1.07 -0.75 4.18 4.75 3k2bG1 ILE 70 HB 0.03 -0.02 0.01 -0.04 1.89 1.87 3k2bG1 ILE 70 HG12 0.02 -0.05 -0.09 -0.04 1.49 1.32 3k2bG1 ILE 70 HG13 0.03 -0.00 -0.44 -0.04 1.21 0.75 3k2bG1 ILE 70 HG23 0.03 -0.01 0.12 -0.04 0.93 1.03 3k2bG1 ILE 70 HD13 0.02 0.05 -0.08 -0.04 0.88 0.83 3k2bG1 ILE 71 H 0.03 0.66 0.37 -0.55 8.25 8.76 3k2bG1 ILE 71 HA 0.01 0.29 0.98 -0.75 4.18 4.71 3k2bG1 ILE 71 HB 0.00 -0.10 -0.04 -0.04 1.89 1.71 3k2bG1 ILE 71 HG12 0.04 0.29 -0.18 -0.04 1.49 1.60 3k2bG1 ILE 71 HG13 0.09 -0.06 -0.37 -0.04 1.21 0.83 3k2bG1 ILE 71 HG23 -0.06 -0.03 -0.58 -0.04 0.93 0.22 3k2bG1 ILE 71 HD13 0.08 -0.05 -0.15 -0.04 0.88 0.71 3k2bG1 GLN 72 H 0.01 0.81 0.39 -0.55 8.47 9.14 3k2bG1 GLN 72 HA 0.01 0.08 0.75 -0.75 4.36 4.44 3k2bG1 GLN 72 HB2 0.03 0.11 0.22 -0.04 2.15 2.47 3k2bG1 GLN 72 HB3 0.05 -0.11 0.08 -0.04 2.02 2.00 3k2bG1 GLN 72 HG2 0.03 -0.05 0.02 -0.04 2.40 2.36 3k2bG1 GLN 72 HG3 0.02 0.10 0.08 -0.04 2.39 2.55 3k2bG1 GLN 72 HE21 0.01 -0.09 -0.02 -0.04 6.97 6.83 3k2bG1 GLN 72 HE22 0.01 -0.02 0.06 -0.04 7.69 7.71 3k2bG1 VAL 73 H 0.00 0.39 0.00 -0.55 8.24 8.09 3k2bG1 VAL 73 HA -0.03 0.32 1.05 -0.75 4.13 4.71 3k2bG1 VAL 73 HB -0.01 -0.10 -0.11 -0.04 2.12 1.86 3k2bG1 VAL 73 HG13 -0.04 -0.00 -0.09 -0.04 0.97 0.79 3k2bG1 VAL 73 HG23 -0.06 0.01 -0.16 -0.04 0.95 0.69 3k2bG1 VAL 74 H 0.03 0.53 0.36 -0.55 8.24 8.61 3k2bG1 VAL 74 HA -0.00 0.22 0.93 -0.75 4.13 4.52 3k2bG1 VAL 74 HB -0.05 -0.00 0.03 -0.04 2.12 2.06 3k2bG1 VAL 74 HG13 0.02 0.04 -0.29 -0.04 0.97 0.69 3k2bG1 VAL 74 HG23 -0.01 -0.01 -0.24 -0.04 0.95 0.64 3k2bG1 SER 75 H -0.02 0.27 0.09 -0.55 8.46 8.26 3k2bG1 SER 75 HA 0.02 0.13 0.79 -0.75 4.49 4.67 3k2bG1 SER 75 HB2 0.00 0.01 0.06 -0.04 3.95 3.98 3k2bG1 SER 75 HB3 0.02 -0.03 -0.09 -0.04 3.93 3.79 3k2bG1 ASN 76 H 0.01 0.19 -0.23 -0.55 8.53 7.95 3k2bG1 ASN 76 HA -0.02 0.07 0.44 -0.75 4.76 4.49 3k2bG1 ASN 76 HB2 -0.09 0.16 -0.30 -0.04 2.88 2.61 3k2bG1 ASN 76 HB3 -0.12 0.05 -0.12 -0.04 2.79 2.56 3k2bG1 ASN 76 HD21 -0.08 -0.02 0.00 -0.04 7.03 6.89 3k2bG1 ASN 76 HD22 -0.09 0.09 -0.02 -0.04 7.74 7.68 3k2bG1 ARG 77 H 0.01 0.22 0.05 -0.55 8.46 8.18 3k2bG1 ARG 77 HA 0.09 0.04 0.35 -0.75 4.34 4.05 3k2bG1 ARG 77 HB2 0.08 0.03 0.12 -0.04 1.90 2.09 3k2bG1 ARG 77 HB3 0.05 0.00 0.10 -0.04 1.80 1.91 3k2bG1 ARG 77 HG2 0.01 -0.03 0.06 -0.04 1.67 1.67 3k2bG1 ARG 77 HG3 0.03 0.03 -0.18 -0.04 1.67 1.51 3k2bG1 ARG 77 HD2 0.03 0.00 -0.01 -0.04 3.22 3.21 3k2bG1 ARG 77 HD3 0.02 0.02 0.01 -0.04 3.22 3.23 3k2bG1 ASN 78 H -0.04 0.01 -0.72 -0.55 8.53 7.23 3k2bG1 ASN 78 HA -0.04 0.29 0.99 -0.75 4.76 5.25 3k2bG1 ASN 78 HB2 -0.03 0.02 -0.05 -0.04 2.88 2.78 3k2bG1 ASN 78 HB3 -0.09 -0.02 0.05 -0.04 2.79 2.69 3k2bG1 ASN 78 HD21 -0.04 0.04 -0.03 -0.04 7.03 6.96 3k2bG1 ASN 78 HD22 -0.03 0.03 -0.03 -0.04 7.74 7.66 3k2bG1 PRO 79 HA -0.43 0.10 0.27 -0.51 4.44 3.88 3k2bG1 PRO 79 HB2 -0.53 -0.05 -0.06 -0.04 2.28 1.61 3k2bG1 PRO 79 HB3 -1.14 0.02 -0.01 -0.04 2.02 0.85 3k2bG1 PRO 79 HG2 -1.57 0.13 0.10 -0.04 2.03 0.65 3k2bG1 PRO 79 HG3 -1.06 0.02 0.01 -0.04 2.03 0.97 3k2bG1 PRO 79 HD2 -0.30 0.05 0.20 -0.04 3.68 3.59 3k2bG1 PRO 79 HD3 -0.22 0.40 0.25 -0.04 3.65 4.04 3k2bG1 SER 80 H -0.22 0.06 -0.30 -0.55 8.46 7.46 3k2bG1 SER 80 HA -0.16 0.14 0.27 -0.75 4.49 3.99 3k2bG1 SER 80 HB2 -0.11 -0.07 -0.01 -0.04 3.95 3.72 3k2bG1 SER 80 HB3 -0.09 0.09 -0.08 -0.04 3.93 3.81 3k2bG1 LEU 81 H -0.17 0.07 -0.31 -0.55 8.37 7.41 3k2bG1 LEU 81 HA -0.15 0.14 0.41 -0.75 4.35 4.00 3k2bG1 LEU 81 HB2 -0.14 0.01 -0.01 -0.04 1.64 1.47 3k2bG1 LEU 81 HB3 -0.12 0.01 0.13 -0.04 1.64 1.62 3k2bG1 LEU 81 HG -0.09 -0.11 -0.02 -0.04 1.64 1.37 3k2bG1 LEU 81 HD13 -0.06 -0.02 -0.00 -0.04 0.93 0.81 3k2bG1 LEU 81 HD23 -0.07 0.02 -0.09 -0.04 0.89 0.71 3k2bG1 LEU 82 H -0.41 0.33 -0.77 -0.55 8.37 6.97 3k2bG1 LEU 82 HA -0.53 0.10 0.54 -0.75 4.35 3.70 3k2bG1 LEU 82 HB2 -1.17 0.19 0.04 -0.04 1.64 0.66 3k2bG1 LEU 82 HB3 -2.30 -0.05 -0.12 -0.04 1.64 -0.87 3k2bG1 LEU 82 HG -0.40 0.11 -0.16 -0.04 1.64 1.15 3k2bG1 LEU 82 HD13 -0.11 -0.02 -0.10 -0.04 0.93 0.65 3k2bG1 LEU 82 HD23 -0.39 -0.01 -0.19 -0.04 0.89 0.26 3k2bG1 PRO 83 HA -0.13 0.11 0.45 -0.51 4.44 4.36 3k2bG1 PRO 83 HB2 0.00 -0.02 0.17 -0.04 2.28 2.39 3k2bG1 PRO 83 HB3 -0.10 0.06 0.09 -0.04 2.02 2.02 3k2bG1 PRO 83 HG2 -0.09 0.03 -0.10 -0.04 2.03 1.83 3k2bG1 PRO 83 HG3 -0.11 0.03 -0.00 -0.04 2.03 1.91 3k2bG1 PRO 83 HD2 -0.85 0.03 0.05 -0.04 3.68 2.87 3k2bG1 PRO 83 HD3 -0.34 0.18 0.15 -0.04 3.65 3.60 3k2bG1 TRP 84 H -0.17 0.61 -0.26 -0.55 7.97 7.60 3k2bG1 TRP 84 HA 0.01 0.02 0.34 -0.75 4.62 4.23 3k2bG1 TRP 84 HB2 0.02 0.17 -0.48 -0.04 3.23 2.90 3k2bG1 TRP 84 HB3 0.03 0.06 -0.46 -0.04 3.23 2.81 3k2bG1 TRP 84 HD1 0.09 0.35 0.01 -0.04 7.22 7.63 3k2bG1 TRP 84 HE1 0.62 -0.10 -0.08 -0.04 10.20 10.59 3k2bG1 TRP 84 HE3 -0.00 0.13 -0.62 -0.04 7.59 7.05 3k2bG1 TRP 84 HZ2 0.10 -0.07 -0.20 -0.04 7.44 7.23 3k2bG1 TRP 84 HZ3 -0.02 0.03 -0.26 -0.04 7.13 6.84 3k2bG1 TRP 84 HH2 -0.00 -0.07 -0.30 -0.04 7.19 6.78 3k2bG1 LYS 85 H 0.16 0.71 0.33 -0.55 8.42 9.07 3k2bG1 LYS 85 HA 0.12 0.23 0.47 -0.75 4.32 4.39 3k2bG1 LYS 85 HB2 0.07 0.02 0.10 -0.04 1.87 2.02 3k2bG1 LYS 85 HB3 0.06 0.20 0.13 -0.04 1.79 2.14 3k2bG1 LYS 85 HG2 0.02 -0.02 -0.04 -0.04 1.46 1.38 3k2bG1 LYS 85 HG3 0.04 -0.06 -0.23 -0.04 1.46 1.17 3k2bG1 LYS 85 HD2 0.03 -0.05 -0.15 -0.04 1.69 1.47 3k2bG1 LYS 85 HD3 0.05 0.04 -0.13 -0.04 1.68 1.60 3k2bG1 LYS 85 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 3k2bG1 LYS 85 HE3 0.04 0.05 -0.01 -0.04 2.99 3.03 3k2bG1 GLU 86 H 0.07 0.01 -0.42 -0.55 8.60 7.71 3k2bG1 GLU 86 HA 0.04 0.07 0.37 -0.75 4.29 4.01 3k2bG1 GLU 86 HB2 0.04 0.02 0.05 -0.04 2.09 2.16 3k2bG1 GLU 86 HB3 0.03 0.00 -0.05 -0.04 1.99 1.94 3k2bG1 GLU 86 HG2 -0.00 -0.01 -0.00 -0.04 2.34 2.28 3k2bG1 GLU 86 HG3 0.01 0.01 -0.01 -0.04 2.34 2.32 3k2bG1 LEU 87 H 0.16 0.50 -0.12 -0.55 8.37 8.36 3k2bG1 LEU 87 HA 0.07 0.05 0.44 -0.75 4.35 4.16 3k2bG1 LEU 87 HB2 0.28 0.10 0.08 -0.04 1.64 2.06 3k2bG1 LEU 87 HB3 0.10 -0.06 0.08 -0.04 1.64 1.72 3k2bG1 LEU 87 HG 0.11 -0.06 -0.00 -0.04 1.64 1.65 3k2bG1 LEU 87 HD13 0.25 -0.01 -0.09 -0.04 0.93 1.04 3k2bG1 LEU 87 HD23 0.06 -0.00 -0.02 -0.04 0.89 0.89 3k2bG1 GLY 88 H 0.08 0.27 -0.99 -0.55 8.43 7.25 3k2bG1 GLY 88 HA2 0.06 0.09 0.26 -0.51 4.01 3.92 3k2bG1 GLY 88 HA3 0.03 -0.06 0.32 -0.51 4.01 3.79 3k2bG1 ILE 89 H 0.09 0.40 -0.29 -0.55 8.25 7.90 3k2bG1 ILE 89 HA -0.11 0.10 0.41 -0.75 4.18 3.82 3k2bG1 ILE 89 HB -0.06 -0.04 -0.09 -0.04 1.89 1.66 3k2bG1 ILE 89 HG12 0.09 0.07 -0.21 -0.04 1.49 1.40 3k2bG1 ILE 89 HG13 -0.40 -0.13 -0.19 -0.04 1.21 0.45 3k2bG1 ILE 89 HG23 -0.55 -0.04 -0.40 -0.04 0.93 -0.10 3k2bG1 ILE 89 HD13 -0.23 -0.01 -0.30 -0.04 0.88 0.31 3k2bG1 ASP 90 H -0.14 0.67 0.34 -0.55 8.40 8.72 3k2bG1 ASP 90 HA 0.15 0.07 0.83 -0.75 4.63 4.93 3k2bG1 ASP 90 HB2 -0.32 0.03 0.06 -0.04 2.71 2.43 3k2bG1 ASP 90 HB3 -0.47 -0.01 -0.00 -0.04 2.70 2.17 3k2bG1 ILE 91 H -0.16 0.38 0.19 -0.55 8.25 8.11 3k2bG1 ILE 91 HA -0.01 0.32 0.99 -0.75 4.18 4.73 3k2bG1 ILE 91 HB -0.12 -0.01 0.02 -0.04 1.89 1.74 3k2bG1 ILE 91 HG12 0.21 0.04 -0.22 -0.04 1.49 1.49 3k2bG1 ILE 91 HG13 0.06 -0.06 -0.40 -0.04 1.21 0.78 3k2bG1 ILE 91 HG23 -0.10 -0.03 -0.33 -0.04 0.93 0.43 3k2bG1 ILE 91 HD13 0.03 0.01 -0.16 -0.04 0.88 0.72 3k2bG1 VAL 92 H -0.18 0.77 0.30 -0.55 8.24 8.58 3k2bG1 VAL 92 HA -0.43 0.19 1.08 -0.75 4.13 4.22 3k2bG1 VAL 92 HB -0.35 0.04 0.18 -0.04 2.12 1.95 3k2bG1 VAL 92 HG13 -0.69 -0.03 -0.22 -0.04 0.97 -0.02 3k2bG1 VAL 92 HG23 -0.75 0.00 -0.16 -0.04 0.95 -0.00 3k2bG1 ILE 93 H -0.34 0.43 0.11 -0.55 8.25 7.91 3k2bG1 ILE 93 HA -0.27 0.16 0.62 -0.75 4.18 3.94 3k2bG1 ILE 93 HB -0.48 -0.10 0.17 -0.04 1.89 1.44 3k2bG1 ILE 93 HG12 -0.44 0.01 -0.14 -0.04 1.49 0.89 3k2bG1 ILE 93 HG13 -1.39 0.01 -0.12 -0.04 1.21 -0.33 3k2bG1 ILE 93 HG23 -0.55 -0.01 -0.15 -0.04 0.93 0.18 3k2bG1 ILE 93 HD13 -0.30 0.01 -0.15 -0.04 0.88 0.39 3k2bG1 GLU 94 H -0.17 0.41 0.23 -0.55 8.60 8.52 3k2bG1 GLU 94 HA -0.10 -0.00 0.57 -0.75 4.29 4.01 3k2bG1 GLU 94 HB2 -0.17 0.08 0.07 -0.04 2.09 2.02 3k2bG1 GLU 94 HB3 -0.03 0.00 0.07 -0.04 1.99 1.99 3k2bG1 GLU 94 HG2 0.17 0.14 0.05 -0.04 2.34 2.66 3k2bG1 GLU 94 HG3 0.13 -0.15 -0.08 -0.04 2.34 2.20 3k2bG1 GLY 95 H 0.03 0.74 0.41 -0.55 8.43 9.06 3k2bG1 GLY 95 HA2 0.04 0.05 0.84 -0.51 4.01 4.43 3k2bG1 GLY 95 HA3 0.01 0.05 0.35 -0.51 4.01 3.92 3k2bG1 THR 96 H 0.14 0.05 0.07 -0.55 8.28 8.00 3k2bG1 THR 96 HA 0.11 0.11 0.76 -0.75 4.39 4.61 3k2bG1 THR 96 HB 0.15 0.04 0.03 -0.04 4.32 4.49 3k2bG1 THR 96 HG23 0.28 0.03 -0.16 -0.04 1.22 1.34 3k2bG1 GLY 97 H 0.07 0.04 -0.06 -0.55 8.43 7.94 3k2bG1 GLY 97 HA2 0.01 0.05 0.19 -0.51 4.01 3.75 3k2bG1 GLY 97 HA3 -0.00 0.19 0.54 -0.51 4.01 4.23 3k2bG1 VAL 98 H -0.07 -0.00 -0.27 -0.55 8.24 7.35 3k2bG1 VAL 98 HA -0.20 0.25 0.90 -0.75 4.13 4.32 3k2bG1 VAL 98 HB -0.43 0.02 0.16 -0.04 2.12 1.83 3k2bG1 VAL 98 HG13 -0.13 0.04 -0.28 -0.04 0.97 0.56 3k2bG1 VAL 98 HG23 -0.84 -0.00 -0.11 -0.04 0.95 -0.04 3k2bG1 PHE 99 H 0.02 0.08 -0.26 -0.55 8.34 7.63 3k2bG1 PHE 99 HA 0.04 0.09 0.51 -0.75 4.62 4.50 3k2bG1 PHE 99 HB2 0.11 -0.12 0.06 -0.04 3.15 3.16 3k2bG1 PHE 99 HB3 0.10 0.28 -0.15 -0.04 3.06 3.25 3k2bG1 PHE 99 HD2 0.08 -0.14 0.06 -0.04 7.28 7.24 3k2bG1 PHE 99 HE2 0.03 -0.04 0.02 -0.04 7.38 7.35 3k2bG1 PHE 99 HZ 0.01 0.15 0.09 -0.04 7.32 7.52 3k2bG1 VAL 100 H 0.05 0.15 -0.07 -0.55 8.24 7.81 3k2bG1 VAL 100 HA 0.08 0.30 0.79 -0.75 4.13 4.55 3k2bG1 VAL 100 HB 0.03 0.22 0.11 -0.04 2.12 2.44 3k2bG1 VAL 100 HG13 0.02 -0.02 -0.25 -0.04 0.97 0.68 3k2bG1 VAL 100 HG23 0.01 -0.02 -0.10 -0.04 0.95 0.79 3k2bG1 ASP 101 H 0.08 -0.02 -0.09 -0.55 8.40 7.82 3k2bG1 ASP 101 HA 0.04 0.48 0.84 -0.75 4.63 5.24 3k2bG1 ASP 101 HB2 0.03 0.05 0.13 -0.04 2.71 2.88 3k2bG1 ASP 101 HB3 0.03 0.03 0.05 -0.04 2.70 2.77 3k2bG1 ARG 102 H 0.04 0.28 0.10 -0.55 8.46 8.32 3k2bG1 ARG 102 HA 0.05 0.14 0.24 -0.75 4.34 4.02 3k2bG1 ARG 102 HB2 0.03 -0.06 0.12 -0.04 1.90 1.94 3k2bG1 ARG 102 HB3 0.03 0.08 -0.06 -0.04 1.80 1.81 3k2bG1 ARG 102 HG2 0.03 0.08 -0.03 -0.04 1.67 1.72 3k2bG1 ARG 102 HG3 0.03 -0.02 -0.05 -0.04 1.67 1.59 3k2bG1 ARG 102 HD2 0.02 -0.08 -0.01 -0.04 3.22 3.11 3k2bG1 ARG 102 HD3 0.02 0.04 -0.02 -0.04 3.22 3.22 3k2bG1 GLU 103 H 0.04 0.09 -0.17 -0.55 8.60 8.02 3k2bG1 GLU 103 HA 0.04 0.16 0.46 -0.75 4.29 4.19 3k2bG1 GLU 103 HB2 0.04 -0.03 0.09 -0.04 2.09 2.15 3k2bG1 GLU 103 HB3 0.05 0.03 -0.05 -0.04 1.99 1.98 3k2bG1 GLU 103 HG2 0.03 0.03 -0.01 -0.04 2.34 2.35 3k2bG1 GLU 103 HG3 0.02 0.04 0.03 -0.04 2.34 2.40 3k2bG1 GLY 104 H 0.10 0.03 -0.22 -0.55 8.43 7.79 3k2bG1 GLY 104 HA2 0.19 0.12 0.41 -0.51 4.01 4.22 3k2bG1 GLY 104 HA3 0.25 -0.06 0.29 -0.51 4.01 3.99 3k2bG1 ALA 105 H 0.11 0.29 -0.49 -0.55 8.40 7.77 3k2bG1 ALA 105 HA 0.19 0.12 0.85 -0.75 4.34 4.75 3k2bG1 ALA 105 HB3 0.13 0.07 -0.12 -0.04 1.41 1.45 3k2bG1 GLY 106 H 0.07 0.34 -0.09 -0.55 8.43 8.20 3k2bG1 GLY 106 HA2 0.07 0.08 0.36 -0.51 4.01 4.01 3k2bG1 GLY 106 HA3 0.04 0.11 0.34 -0.51 4.01 3.99 3k2bG1 LYS 107 H -0.01 0.18 -0.49 -0.55 8.42 7.55 3k2bG1 LYS 107 HA -0.04 0.06 0.31 -0.75 4.32 3.90 3k2bG1 LYS 107 HB2 -0.29 0.02 -0.08 -0.04 1.87 1.48 3k2bG1 LYS 107 HB3 -0.20 -0.07 -0.21 -0.04 1.79 1.27 3k2bG1 LYS 107 HG2 -0.06 0.02 0.01 -0.04 1.46 1.38 3k2bG1 LYS 107 HG3 -0.06 0.16 0.02 -0.04 1.46 1.54 3k2bG1 LYS 107 HD2 -0.29 0.05 0.05 -0.04 1.69 1.46 3k2bG1 LYS 107 HD3 -0.14 -0.17 0.02 -0.04 1.68 1.35 3k2bG1 LYS 107 HE2 0.05 0.02 0.03 -0.04 2.99 3.04 3k2bG1 LYS 107 HE3 0.03 -0.02 0.03 -0.04 2.99 2.99 3k2bG1 HIS 108 H 0.01 0.24 -0.36 -0.55 8.41 7.75 3k2bG1 HIS 108 HA 0.28 0.07 0.22 -0.75 4.63 4.44 3k2bG1 HIS 108 HB2 0.07 0.22 0.01 -0.04 3.26 3.53 3k2bG1 HIS 108 HB3 0.14 0.03 -0.12 -0.04 3.20 3.20 3k2bG1 HIS 108 HD2 -0.03 0.07 0.09 -0.04 6.97 7.07 3k2bG1 HIS 108 HE1 0.29 -0.04 -0.08 -0.04 7.75 7.88 3k2bG1 ILE 109 H 0.15 0.26 -0.51 -0.55 8.25 7.59 3k2bG1 ILE 109 HA 0.14 0.35 0.57 -0.75 4.18 4.49 3k2bG1 ILE 109 HB 0.07 0.05 0.11 -0.04 1.89 2.08 3k2bG1 ILE 109 HG12 0.07 0.20 -0.34 -0.04 1.49 1.39 3k2bG1 ILE 109 HG13 0.10 -0.15 -0.21 -0.04 1.21 0.91 3k2bG1 ILE 109 HG23 0.05 0.04 -0.09 -0.04 0.93 0.89 3k2bG1 ILE 109 HD13 0.04 -0.01 -0.13 -0.04 0.88 0.75 3k2bG1 GLU 110 H 0.05 0.38 0.05 -0.55 8.60 8.54 3k2bG1 GLU 110 HA 0.03 0.02 0.41 -0.75 4.29 4.00 3k2bG1 GLU 110 HB2 -0.01 0.05 0.15 -0.04 2.09 2.24 3k2bG1 GLU 110 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.95 3k2bG1 GLU 110 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 3k2bG1 GLU 110 HG3 0.02 0.19 -0.03 -0.04 2.34 2.48 3k2bG1 ALA 111 H 0.06 0.53 -0.38 -0.55 8.40 8.06 3k2bG1 ALA 111 HA -0.04 0.10 0.54 -0.75 4.34 4.18 3k2bG1 ALA 111 HB3 -0.15 0.02 0.12 -0.04 1.41 1.36 3k2bG1 GLY 112 H 0.13 0.60 -0.63 -0.55 8.43 7.99 3k2bG1 GLY 112 HA2 0.11 0.06 0.24 -0.51 4.01 3.90 3k2bG1 GLY 112 HA3 0.16 -0.12 0.92 -0.51 4.01 4.46 3k2bG1 ALA 113 H 0.27 0.38 0.17 -0.55 8.40 8.68 3k2bG1 ALA 113 HA 0.08 0.42 0.63 -0.75 4.34 4.72 3k2bG1 ALA 113 HB3 -0.02 -0.06 -0.25 -0.04 1.41 1.04 3k2bG1 LYS 114 H 0.11 0.34 0.27 -0.55 8.42 8.59 3k2bG1 LYS 114 HA 0.08 0.08 0.70 -0.75 4.32 4.42 3k2bG1 LYS 114 HB2 0.44 0.07 0.23 -0.04 1.87 2.57 3k2bG1 LYS 114 HB3 0.11 -0.06 0.10 -0.04 1.79 1.90 3k2bG1 LYS 114 HG2 0.13 -0.06 -0.03 -0.04 1.46 1.47 3k2bG1 LYS 114 HG3 0.16 0.14 -0.00 -0.04 1.46 1.72 3k2bG1 LYS 114 HD2 0.46 -0.01 0.02 -0.04 1.69 2.12 3k2bG1 LYS 114 HD3 0.41 -0.06 0.01 -0.04 1.68 2.00 3k2bG1 LYS 114 HE2 0.18 -0.03 -0.03 -0.04 2.99 3.07 3k2bG1 LYS 114 HE3 0.14 -0.06 -0.03 -0.04 2.99 3.00 3k2bG1 LYS 115 H 0.09 0.37 0.20 -0.55 8.42 8.53 3k2bG1 LYS 115 HA 0.03 0.22 0.87 -0.75 4.32 4.69 3k2bG1 LYS 115 HB2 0.18 -0.01 -0.21 -0.04 1.87 1.79 3k2bG1 LYS 115 HB3 0.14 -0.16 -0.05 -0.04 1.79 1.68 3k2bG1 LYS 115 HG2 0.04 -0.10 -0.01 -0.04 1.46 1.34 3k2bG1 LYS 115 HG3 0.02 0.08 0.32 -0.04 1.46 1.84 3k2bG1 LYS 115 HD2 0.05 -0.07 -0.06 -0.04 1.69 1.57 3k2bG1 LYS 115 HD3 0.07 0.09 0.04 -0.04 1.68 1.84 3k2bG1 LYS 115 HE2 -0.46 -0.09 -0.18 -0.04 2.99 2.21 3k2bG1 LYS 115 HE3 -0.74 -0.06 0.02 -0.04 2.99 2.17 3k2bG1 VAL 116 H 0.01 0.88 0.41 -0.55 8.24 8.99 3k2bG1 VAL 116 HA -0.10 0.14 1.14 -0.75 4.13 4.56 3k2bG1 VAL 116 HB 0.01 -0.07 0.08 -0.04 2.12 2.10 3k2bG1 VAL 116 HG13 -0.10 -0.01 -0.05 -0.04 0.97 0.77 3k2bG1 VAL 116 HG23 0.02 0.04 -0.28 -0.04 0.95 0.69 3k2bG1 ILE 117 H -0.12 0.57 0.30 -0.55 8.25 8.44 3k2bG1 ILE 117 HA -0.03 0.28 0.95 -0.75 4.18 4.63 3k2bG1 ILE 117 HB -0.14 -0.07 0.06 -0.04 1.89 1.70 3k2bG1 ILE 117 HG12 -0.08 0.06 -0.18 -0.04 1.49 1.25 3k2bG1 ILE 117 HG13 -0.08 -0.03 -0.39 -0.04 1.21 0.66 3k2bG1 ILE 117 HG23 -0.07 -0.01 -0.27 -0.04 0.93 0.54 3k2bG1 ILE 117 HD13 -0.10 0.01 -0.20 -0.04 0.88 0.56 3k2bG1 ILE 118 H 0.01 0.69 0.30 -0.55 8.25 8.71 3k2bG1 ILE 118 HA 0.01 0.19 0.76 -0.75 4.18 4.38 3k2bG1 ILE 118 HB 0.04 0.01 0.19 -0.04 1.89 2.09 3k2bG1 ILE 118 HG12 0.06 0.00 -0.03 -0.04 1.49 1.48 3k2bG1 ILE 118 HG13 0.03 0.06 -0.08 -0.04 1.21 1.18 3k2bG1 ILE 118 HG23 0.05 -0.05 -0.20 -0.04 0.93 0.69 3k2bG1 ILE 118 HD13 0.06 -0.04 -0.17 -0.04 0.88 0.69 3k2bG1 THR 119 H 0.03 0.69 0.29 -0.55 8.28 8.75 3k2bG1 THR 119 HA 0.22 0.12 0.42 -0.75 4.39 4.39 3k2bG1 THR 119 HB 0.35 -0.04 0.14 -0.04 4.32 4.73 3k2bG1 THR 119 HG23 -0.01 0.05 -0.12 -0.04 1.22 1.10 3k2bG1 ALA 120 H 0.09 0.66 -0.32 -0.55 8.40 8.28 3k2bG1 ALA 120 HA -0.02 0.08 0.17 -0.75 4.34 3.82 3k2bG1 ALA 120 HB3 -0.00 0.03 -0.08 -0.04 1.41 1.32 3k2bG1 PRO 121 HA 0.01 0.01 0.40 -0.51 4.44 4.36 3k2bG1 PRO 121 HB2 -0.01 0.02 -0.07 -0.04 2.28 2.18 3k2bG1 PRO 121 HB3 -0.01 0.06 -0.02 -0.04 2.02 2.01 3k2bG1 PRO 121 HG2 -0.02 -0.02 -0.03 -0.04 2.03 1.92 3k2bG1 PRO 121 HG3 -0.01 -0.09 -0.07 -0.04 2.03 1.82 3k2bG1 PRO 121 HD2 -0.02 0.12 0.09 -0.04 3.68 3.83 3k2bG1 PRO 121 HD3 -0.03 0.11 -0.06 -0.04 3.65 3.62 3k2bG1 GLY 122 H 0.00 0.15 0.12 -0.55 8.43 8.16 3k2bG1 GLY 122 HA2 0.02 0.22 0.86 -0.51 4.01 4.59 3k2bG1 GLY 122 HA3 0.02 0.06 0.27 -0.51 4.01 3.85 3k2bG1 LYS 122 H 0.02 0.15 -0.03 -0.55 8.42 8.00 3k2bG1 LYS 122 HA 0.00 0.01 0.40 -0.75 4.32 3.98 3k2bG1 LYS 122 HB2 0.01 -0.10 0.00 -0.04 1.87 1.75 3k2bG1 LYS 122 HB3 0.01 0.01 -0.03 -0.04 1.79 1.74 3k2bG1 LYS 122 HG2 0.00 0.03 -0.04 -0.04 1.46 1.40 3k2bG1 LYS 122 HG3 -0.00 -0.02 -0.03 -0.04 1.46 1.36 3k2bG1 LYS 122 HD2 -0.00 0.02 -0.01 -0.04 1.69 1.65 3k2bG1 LYS 122 HD3 -0.00 0.00 -0.04 -0.04 1.68 1.60 3k2bG1 LYS 122 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.93 3k2bG1 LYS 122 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 3k2bG1 GLY 123 H -0.00 0.16 0.27 -0.55 8.43 8.32 3k2bG1 GLY 123 HA2 0.00 0.02 0.35 -0.51 4.01 3.87 3k2bG1 GLY 123 HA3 0.01 0.12 0.94 -0.51 4.01 4.56 3k2bG1 ASP 124 H 0.00 0.12 0.10 -0.55 8.40 8.07 3k2bG1 ASP 124 HA -0.01 0.13 0.41 -0.75 4.63 4.41 3k2bG1 ASP 124 HB2 -0.01 0.07 0.18 -0.04 2.71 2.91 3k2bG1 ASP 124 HB3 -0.01 -0.03 0.13 -0.04 2.70 2.75 3k2bG1 ILE 125 H -0.00 0.53 -0.76 -0.55 8.25 7.47 3k2bG1 ILE 125 HA 0.01 0.16 0.51 -0.75 4.18 4.11 3k2bG1 ILE 125 HB 0.01 0.01 -0.04 -0.04 1.89 1.83 3k2bG1 ILE 125 HG12 0.03 0.05 -0.19 -0.04 1.49 1.33 3k2bG1 ILE 125 HG13 0.02 -0.15 -0.34 -0.04 1.21 0.70 3k2bG1 ILE 125 HG23 0.03 0.06 -0.35 -0.04 0.93 0.63 3k2bG1 ILE 125 HD13 0.04 -0.09 -0.28 -0.04 0.88 0.51 3k2bG1 PRO 126 HA -0.16 0.01 0.40 -0.51 4.44 4.18 3k2bG1 PRO 126 HB2 0.13 -0.02 0.11 -0.04 2.28 2.46 3k2bG1 PRO 126 HB3 -0.09 0.05 0.06 -0.04 2.02 2.00 3k2bG1 PRO 126 HG2 0.09 0.05 0.13 -0.04 2.03 2.27 3k2bG1 PRO 126 HG3 0.01 0.04 0.13 -0.04 2.03 2.17 3k2bG1 PRO 126 HD2 0.05 0.44 0.38 -0.04 3.68 4.51 3k2bG1 PRO 126 HD3 0.02 0.18 0.39 -0.04 3.65 4.20 3k2bG1 THR 127 H -0.32 0.20 0.20 -0.55 8.28 7.80 3k2bG1 THR 127 HA -0.09 0.18 1.01 -0.75 4.39 4.74 3k2bG1 THR 127 HB -0.12 -0.00 -0.01 -0.04 4.32 4.14 3k2bG1 THR 127 HG23 -0.02 -0.06 -0.25 -0.04 1.22 0.84 3k2bG1 TYR 128 H 0.07 0.59 0.14 -0.55 8.29 8.54 3k2bG1 TYR 128 HA 0.02 0.10 0.70 -0.75 4.56 4.63 3k2bG1 TYR 128 HB2 0.00 0.07 -0.03 -0.04 3.06 3.07 3k2bG1 TYR 128 HB3 0.02 -0.08 -0.18 -0.04 2.98 2.70 3k2bG1 TYR 128 HD2 0.04 0.02 -0.28 -0.04 7.15 6.89 3k2bG1 TYR 128 HE2 0.10 0.02 -0.26 -0.04 6.85 6.67 3k2bG1 VAL 129 H 0.11 0.12 -0.05 -0.55 8.24 7.88 3k2bG1 VAL 129 HA 0.06 0.27 0.79 -0.75 4.13 4.50 3k2bG1 VAL 129 HB 0.03 -0.11 0.07 -0.04 2.12 2.07 3k2bG1 VAL 129 HG13 0.02 0.04 -0.17 -0.04 0.97 0.82 3k2bG1 VAL 129 HG23 0.02 0.01 -0.29 -0.04 0.95 0.65 3k2bG1 VAL 130 H 0.03 0.26 0.01 -0.55 8.24 7.99 3k2bG1 VAL 130 HA 0.03 -0.04 0.32 -0.75 4.13 3.68 3k2bG1 VAL 130 HB 0.00 0.08 -0.06 -0.04 2.12 2.10 3k2bG1 VAL 130 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.85 3k2bG1 VAL 130 HG23 -0.02 0.02 0.10 -0.04 0.95 1.01 3k2bG1 GLY 131 H 0.04 0.13 0.09 -0.55 8.43 8.14 3k2bG1 GLY 131 HA2 0.04 0.08 0.34 -0.51 4.01 3.96 3k2bG1 GLY 131 HA3 0.05 0.17 0.78 -0.51 4.01 4.50 3k2bG1 VAL 132 H 0.04 0.52 -0.22 -0.55 8.24 8.03 3k2bG1 VAL 132 HA 0.04 0.22 0.78 -0.75 4.13 4.41 3k2bG1 VAL 132 HB 0.04 -0.15 0.24 -0.04 2.12 2.20 3k2bG1 VAL 132 HG13 0.02 0.03 0.02 -0.04 0.97 1.00 3k2bG1 VAL 132 HG23 0.01 0.02 -0.25 -0.04 0.95 0.69 3k2bG1 ASN 133 H 0.06 0.16 0.18 -0.55 8.53 8.39 3k2bG1 ASN 133 HA 0.08 0.16 0.49 -0.75 4.76 4.73 3k2bG1 ASN 133 HB2 0.12 0.01 0.20 -0.04 2.88 3.17 3k2bG1 ASN 133 HB3 0.05 0.22 0.23 -0.04 2.79 3.26 3k2bG1 ASN 133 HD21 -0.04 0.03 -0.03 -0.04 7.03 6.95 3k2bG1 ASN 133 HD22 -0.01 0.17 0.11 -0.04 7.74 7.96 3k2bG1 ALA 134 H 0.10 0.17 -0.60 -0.55 8.40 7.52 3k2bG1 ALA 134 HA 0.14 0.01 0.12 -0.75 4.34 3.86 3k2bG1 ALA 134 HB3 0.03 0.00 -0.24 -0.04 1.41 1.16 3k2bG1 ASP 135 H 0.05 0.14 -0.61 -0.55 8.40 7.43 3k2bG1 ASP 135 HA 0.02 0.12 0.43 -0.75 4.63 4.44 3k2bG1 ASP 135 HB2 0.04 0.01 0.03 -0.04 2.71 2.74 3k2bG1 ASP 135 HB3 0.03 0.03 -0.08 -0.04 2.70 2.63 3k2bG1 ALA 136 H 0.10 0.68 -0.07 -0.55 8.40 8.57 3k2bG1 ALA 136 HA 0.04 0.02 0.32 -0.75 4.34 3.97 3k2bG1 ALA 136 HB3 0.22 -0.03 0.08 -0.04 1.41 1.65 3k2bG1 TYR 137 H -0.19 0.22 -0.62 -0.55 8.29 7.15 3k2bG1 TYR 137 HA -0.50 -0.10 0.25 -0.75 4.56 3.46 3k2bG1 TYR 137 HB2 -1.07 -0.08 -0.03 -0.04 3.06 1.84 3k2bG1 TYR 137 HB3 -0.36 0.14 0.02 -0.04 2.98 2.73 3k2bG1 TYR 137 HD2 -0.14 -0.03 -0.17 -0.04 7.15 6.77 3k2bG1 TYR 137 HE2 -0.00 0.19 -0.11 -0.04 6.85 6.88 3k2bG1 SER 138 H -0.21 0.09 0.16 -0.55 8.46 7.95 3k2bG1 SER 138 HA -0.53 0.19 0.88 -0.75 4.49 4.28 3k2bG1 SER 138 HB2 -0.29 -0.16 0.04 -0.04 3.95 3.50 3k2bG1 SER 138 HB3 -0.24 0.07 0.08 -0.04 3.93 3.79 3k2bG1 HIS 139 H -0.62 0.25 0.11 -0.55 8.41 7.61 3k2bG1 HIS 139 HA -0.35 0.15 0.32 -0.75 4.63 4.00 3k2bG1 HIS 139 HB2 -0.25 -0.08 0.17 -0.04 3.26 3.06 3k2bG1 HIS 139 HB3 -0.21 0.28 0.11 -0.04 3.20 3.34 3k2bG1 HIS 139 HD2 -0.12 0.08 -0.05 -0.04 6.97 6.83 3k2bG1 HIS 139 HE1 -0.10 -0.02 -0.07 -0.04 7.75 7.52 3k2bG1 ASP 140 H -0.44 -0.04 -0.90 -0.55 8.40 6.47 3k2bG1 ASP 140 HA -0.04 0.12 0.53 -0.75 4.63 4.49 3k2bG1 ASP 140 HB2 -0.08 -0.02 0.16 -0.04 2.71 2.73 3k2bG1 ASP 140 HB3 -0.20 -0.04 0.02 -0.04 2.70 2.45 3k2bG1 GLU 141 H -0.04 0.36 -0.47 -0.55 8.60 7.90 3k2bG1 GLU 141 HA 0.02 0.14 0.98 -0.75 4.29 4.68 3k2bG1 GLU 141 HB2 0.19 0.04 0.05 -0.04 2.09 2.32 3k2bG1 GLU 141 HB3 0.12 -0.01 0.00 -0.04 1.99 2.06 3k2bG1 GLU 141 HG2 0.02 0.01 -0.04 -0.04 2.34 2.29 3k2bG1 GLU 141 HG3 -0.03 -0.01 -0.14 -0.04 2.34 2.12 3k2bG1 PRO 142 HA 0.01 0.26 0.76 -0.51 4.44 4.96 3k2bG1 PRO 142 HB2 0.03 -0.04 0.00 -0.04 2.28 2.23 3k2bG1 PRO 142 HB3 0.00 0.11 0.09 -0.04 2.02 2.19 3k2bG1 PRO 142 HG2 0.03 -0.11 0.16 -0.04 2.03 2.07 3k2bG1 PRO 142 HG3 0.02 0.02 0.09 -0.04 2.03 2.11 3k2bG1 PRO 142 HD2 0.03 0.07 0.31 -0.04 3.68 4.05 3k2bG1 PRO 142 HD3 0.00 0.24 0.10 -0.04 3.65 3.95 3k2bG1 ILE 143 H 0.05 0.16 0.08 -0.55 8.25 7.99 3k2bG1 ILE 143 HA 0.04 0.30 1.07 -0.75 4.18 4.83 3k2bG1 ILE 143 HB 0.04 -0.05 0.06 -0.04 1.89 1.90 3k2bG1 ILE 143 HG12 0.05 0.09 -0.22 -0.04 1.49 1.37 3k2bG1 ILE 143 HG13 0.04 -0.04 -0.26 -0.04 1.21 0.91 3k2bG1 ILE 143 HG23 0.05 -0.02 -0.22 -0.04 0.93 0.69 3k2bG1 ILE 143 HD13 0.06 -0.05 -0.15 -0.04 0.88 0.69 3k2bG1 ILE 144 H 0.04 0.59 0.31 -0.55 8.25 8.64 3k2bG1 ILE 144 HA 0.10 0.22 0.90 -0.75 4.18 4.64 3k2bG1 ILE 144 HB 0.32 0.02 -0.03 -0.04 1.89 2.16 3k2bG1 ILE 144 HG12 0.01 0.14 0.02 -0.04 1.49 1.61 3k2bG1 ILE 144 HG13 0.04 -0.12 -0.33 -0.04 1.21 0.76 3k2bG1 ILE 144 HG23 0.24 0.00 -0.33 -0.04 0.93 0.79 3k2bG1 ILE 144 HD13 -0.14 0.00 -0.18 -0.04 0.88 0.52 3k2bG1 SER 145 H 0.05 0.99 0.40 -0.55 8.46 9.35 3k2bG1 SER 145 HA 0.05 0.20 1.04 -0.75 4.49 5.03 3k2bG1 SER 145 HB2 0.02 -0.00 0.04 -0.04 3.95 3.97 3k2bG1 SER 145 HB3 0.00 0.06 0.11 -0.04 3.93 4.06 3k2bG1 ASN 146 H 0.10 0.48 0.24 -0.55 8.53 8.80 3k2bG1 ASN 146 HA 0.09 0.33 0.95 -0.75 4.76 5.37 3k2bG1 ASN 146 HB2 0.01 0.00 -0.08 -0.04 2.88 2.78 3k2bG1 ASN 146 HB3 0.13 0.00 0.03 -0.04 2.79 2.91 3k2bG1 ASN 146 HD21 -0.40 -0.04 -0.09 -0.04 7.03 6.47 3k2bG1 ASN 146 HD22 -0.60 -0.01 -0.08 -0.04 7.74 7.01 3k2bG1 ALA 147 H 0.07 -0.00 -0.34 -0.55 8.40 7.59 3k2bG1 ALA 147 HA 0.04 -0.08 0.09 -0.75 4.34 3.64 3k2bG1 ALA 147 HB3 0.06 0.03 -0.19 -0.04 1.41 1.26 3k2bG1 SER 148 H 0.01 -0.02 0.02 -0.55 8.46 7.93 3k2bG1 SER 148 HA -0.16 0.30 0.64 -0.75 4.49 4.51 3k2bG1 SER 148 HB2 -0.08 0.04 0.14 -0.04 3.95 4.02 3k2bG1 SER 148 HB3 -0.04 0.03 0.04 -0.04 3.93 3.92 3k2bG1 CYS 149 H -0.14 0.14 0.13 -0.55 8.50 8.08 3k2bG1 CYS 149 HA 0.16 0.24 0.45 -0.75 4.58 4.67 3k2bG1 CYS 149 HB2 0.45 0.00 -0.03 -0.04 2.97 3.35 3k2bG1 CYS 149 HB3 0.07 0.21 0.15 -0.04 2.97 3.36 3k2bG1 THR 150 H 0.14 0.08 -0.03 -0.55 8.28 7.93 3k2bG1 THR 150 HA -0.28 0.13 0.24 -0.75 4.39 3.73 3k2bG1 THR 150 HB -0.00 -0.01 -0.14 -0.04 4.32 4.12 3k2bG1 THR 150 HG23 0.13 0.03 -0.07 -0.04 1.22 1.26 3k2bG1 THR 151 H -0.02 -0.02 -0.57 -0.55 8.28 7.12 3k2bG1 THR 151 HA -0.08 0.08 0.40 -0.75 4.39 4.03 3k2bG1 THR 151 HB 0.01 0.09 -0.05 -0.04 4.32 4.33 3k2bG1 THR 151 HG23 -0.03 0.03 -0.11 -0.04 1.22 1.08 3k2bG1 ASN 152 H 0.01 0.41 -0.37 -0.55 8.53 8.03 3k2bG1 ASN 152 HA 0.01 0.08 0.54 -0.75 4.76 4.64 3k2bG1 ASN 152 HB2 0.19 0.06 0.11 -0.04 2.88 3.19 3k2bG1 ASN 152 HB3 0.09 0.00 0.05 -0.04 2.79 2.89 3k2bG1 ASN 152 HD21 0.18 0.41 -0.01 -0.04 7.03 7.57 3k2bG1 ASN 152 HD22 0.19 0.15 -0.09 -0.04 7.74 7.95 3k2bG1 CYS 153 H -0.18 0.08 -0.48 -0.55 8.50 7.37 3k2bG1 CYS 153 HA -0.02 0.22 0.40 -0.75 4.58 4.43 3k2bG1 CYS 153 HB2 -0.49 0.14 -0.04 -0.04 2.97 2.55 3k2bG1 CYS 153 HB3 -0.59 -0.12 0.05 -0.04 2.97 2.27 3k2bG1 LEU 154 H -0.22 0.35 0.02 -0.55 8.37 7.98 3k2bG1 LEU 154 HA -0.60 0.01 0.27 -0.75 4.35 3.27 3k2bG1 LEU 154 HB2 -0.16 -0.00 0.04 -0.04 1.64 1.47 3k2bG1 LEU 154 HB3 -0.18 -0.04 0.09 -0.04 1.64 1.47 3k2bG1 LEU 154 HG -0.28 0.04 -0.32 -0.04 1.64 1.03 3k2bG1 LEU 154 HD13 -0.21 -0.01 -0.12 -0.04 0.93 0.55 3k2bG1 LEU 154 HD23 -0.09 -0.00 -0.21 -0.04 0.89 0.54 3k2bG1 ALA 155 H -0.17 0.32 -0.15 -0.55 8.40 7.85 3k2bG1 ALA 155 HA -0.18 -0.02 0.27 -0.75 4.34 3.65 3k2bG1 ALA 155 HB3 -0.06 0.01 0.02 -0.04 1.41 1.33 3k2bG1 PRO 156 HA 0.01 0.03 0.25 -0.51 4.44 4.21 3k2bG1 PRO 156 HB2 0.07 0.06 -0.07 -0.04 2.28 2.30 3k2bG1 PRO 156 HB3 0.06 0.01 -0.08 -0.04 2.02 1.97 3k2bG1 PRO 156 HG2 0.03 0.35 -0.07 -0.04 2.03 2.30 3k2bG1 PRO 156 HG3 0.02 -0.01 -0.10 -0.04 2.03 1.89 3k2bG1 PRO 156 HD2 -0.09 0.28 -1.11 -0.04 3.68 2.71 3k2bG1 PRO 156 HD3 -0.06 0.05 -0.30 -0.04 3.65 3.30 3k2bG1 PHE 157 H -0.11 0.40 -0.22 -0.55 8.34 7.85 3k2bG1 PHE 157 HA 0.07 0.11 0.61 -0.75 4.62 4.65 3k2bG1 PHE 157 HB2 -0.14 -0.06 0.00 -0.04 3.15 2.91 3k2bG1 PHE 157 HB3 -0.16 0.05 -0.04 -0.04 3.06 2.87 3k2bG1 PHE 157 HD2 -0.03 0.04 -0.26 -0.04 7.28 7.00 3k2bG1 PHE 157 HE2 -0.07 -0.07 -0.22 -0.04 7.38 6.99 3k2bG1 PHE 157 HZ -0.08 -0.07 -0.15 -0.04 7.32 6.99 3k2bG1 VAL 158 H -0.47 0.53 -0.20 -0.55 8.24 7.55 3k2bG1 VAL 158 HA 0.01 -0.02 0.37 -0.75 4.13 3.74 3k2bG1 VAL 158 HB -0.21 0.17 0.06 -0.04 2.12 2.10 3k2bG1 VAL 158 HG13 -0.05 -0.02 -0.17 -0.04 0.97 0.70 3k2bG1 VAL 158 HG23 -0.40 0.02 -0.10 -0.04 0.95 0.44 3k2bG1 LYS 159 H -0.03 0.50 -0.28 -0.55 8.42 8.06 3k2bG1 LYS 159 HA 0.02 -0.03 0.30 -0.75 4.32 3.85 3k2bG1 LYS 159 HB2 0.00 -0.00 0.03 -0.04 1.87 1.86 3k2bG1 LYS 159 HB3 0.04 0.26 0.07 -0.04 1.79 2.12 3k2bG1 LYS 159 HG2 0.03 -0.01 -0.30 -0.04 1.46 1.14 3k2bG1 LYS 159 HG3 0.02 -0.06 0.01 -0.04 1.46 1.39 3k2bG1 LYS 159 HD2 0.03 -0.06 0.00 -0.04 1.69 1.62 3k2bG1 LYS 159 HD3 0.04 0.06 -0.03 -0.04 1.68 1.70 3k2bG1 LYS 159 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.91 3k2bG1 LYS 159 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.92 3k2bG1 VAL 160 H 0.14 0.23 -0.37 -0.55 8.24 7.69 3k2bG1 VAL 160 HA 0.07 0.07 0.32 -0.75 4.13 3.84 3k2bG1 VAL 160 HB 0.35 0.07 0.05 -0.04 2.12 2.55 3k2bG1 VAL 160 HG13 0.13 -0.01 -0.30 -0.04 0.97 0.76 3k2bG1 VAL 160 HG23 0.16 0.03 0.00 -0.04 0.95 1.10 3k2bG1 LEU 161 H 0.26 0.53 -0.17 -0.55 8.37 8.44 3k2bG1 LEU 161 HA 0.37 0.00 0.22 -0.75 4.35 4.20 3k2bG1 LEU 161 HB2 0.17 0.07 0.10 -0.04 1.64 1.93 3k2bG1 LEU 161 HB3 0.21 -0.07 -0.08 -0.04 1.64 1.66 3k2bG1 LEU 161 HG 0.45 0.43 0.01 -0.04 1.64 2.48 3k2bG1 LEU 161 HD13 0.30 -0.04 -0.09 -0.04 0.93 1.06 3k2bG1 LEU 161 HD23 0.46 -0.04 -0.08 -0.04 0.89 1.19 3k2bG1 ASP 162 H 0.09 0.71 -0.18 -0.55 8.40 8.48 3k2bG1 ASP 162 HA 0.07 -0.15 0.32 -0.75 4.63 4.12 3k2bG1 ASP 162 HB2 0.03 0.05 0.07 -0.04 2.71 2.82 3k2bG1 ASP 162 HB3 0.03 0.11 0.16 -0.04 2.70 2.96 3k2bG1 GLN 163 H 0.02 0.44 0.03 -0.55 8.47 8.42 3k2bG1 GLN 163 HA -0.01 -0.00 0.37 -0.75 4.36 3.97 3k2bG1 GLN 163 HB2 0.00 0.21 0.15 -0.04 2.15 2.47 3k2bG1 GLN 163 HB3 -0.01 -0.02 0.23 -0.04 2.02 2.18 3k2bG1 GLN 163 HG2 -0.00 -0.01 0.07 -0.04 2.40 2.41 3k2bG1 GLN 163 HG3 0.01 -0.11 0.06 -0.04 2.39 2.31 3k2bG1 GLN 163 HE21 0.01 0.01 0.02 -0.04 6.97 6.97 3k2bG1 GLN 163 HE22 0.00 -0.01 0.03 -0.04 7.69 7.67 3k2bG1 LYS 164 H -0.04 0.10 -0.77 -0.55 8.42 7.16 3k2bG1 LYS 164 HA -0.20 0.03 0.51 -0.75 4.32 3.91 3k2bG1 LYS 164 HB2 -0.18 0.04 -0.21 -0.04 1.87 1.48 3k2bG1 LYS 164 HB3 -0.40 0.15 -0.09 -0.04 1.79 1.40 3k2bG1 LYS 164 HG2 -0.65 -0.03 0.19 -0.04 1.46 0.93 3k2bG1 LYS 164 HG3 -0.26 -0.01 0.12 -0.04 1.46 1.26 3k2bG1 LYS 164 HD2 -0.23 -0.02 0.00 -0.04 1.69 1.40 3k2bG1 LYS 164 HD3 -0.66 -0.00 -0.05 -0.04 1.68 0.93 3k2bG1 LYS 164 HE2 -0.40 0.00 0.02 -0.04 2.99 2.58 3k2bG1 LYS 164 HE3 -0.18 0.00 0.01 -0.04 2.99 2.78 3k2bG1 PHE 165 H 0.03 0.10 0.40 -0.55 8.34 8.31 3k2bG1 PHE 165 HA -0.02 0.10 0.75 -0.75 4.62 4.70 3k2bG1 PHE 165 HB2 -0.00 0.27 0.07 -0.04 3.15 3.45 3k2bG1 PHE 165 HB3 -0.02 -0.13 0.15 -0.04 3.06 3.01 3k2bG1 PHE 165 HD2 -0.04 -0.01 0.04 -0.04 7.28 7.23 3k2bG1 PHE 165 HE2 -0.11 -0.03 -0.01 -0.04 7.38 7.18 3k2bG1 PHE 165 HZ -0.08 -0.06 -0.20 -0.04 7.32 6.93 3k2bG1 GLY 166 H 0.07 0.73 0.53 -0.55 8.43 9.22 3k2bG1 GLY 166 HA2 0.04 0.01 0.45 -0.51 4.01 4.00 3k2bG1 GLY 166 HA3 0.05 0.03 0.47 -0.51 4.01 4.06 3k2bG1 ILE 167 H 0.04 0.14 0.03 -0.55 8.25 7.90 3k2bG1 ILE 167 HA 0.04 0.11 0.70 -0.75 4.18 4.28 3k2bG1 ILE 167 HB 0.03 -0.00 0.10 -0.04 1.89 1.98 3k2bG1 ILE 167 HG12 0.08 0.02 -0.25 -0.04 1.49 1.30 3k2bG1 ILE 167 HG13 0.08 -0.11 -0.34 -0.04 1.21 0.81 3k2bG1 ILE 167 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.81 3k2bG1 ILE 167 HD13 0.06 0.00 0.00 -0.04 0.88 0.90 3k2bG1 ILE 168 H 0.02 0.32 -0.21 -0.55 8.25 7.83 3k2bG1 ILE 168 HA 0.01 0.01 0.30 -0.75 4.18 3.75 3k2bG1 ILE 168 HB 0.00 0.17 0.18 -0.04 1.89 2.20 3k2bG1 ILE 168 HG12 0.01 -0.10 -0.01 -0.04 1.49 1.34 3k2bG1 ILE 168 HG13 0.01 -0.08 -0.13 -0.04 1.21 0.97 3k2bG1 ILE 168 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.78 3k2bG1 ILE 168 HD13 -0.00 0.04 0.00 -0.04 0.88 0.88 3k2bG1 LYS 169 H 0.01 -0.06 -0.16 -0.55 8.42 7.65 3k2bG1 LYS 169 HA 0.00 0.24 0.58 -0.75 4.32 4.38 3k2bG1 LYS 169 HB2 -0.00 -0.06 0.07 -0.04 1.87 1.84 3k2bG1 LYS 169 HB3 -0.00 0.02 0.15 -0.04 1.79 1.91 3k2bG1 LYS 169 HG2 -0.00 0.09 -0.04 -0.04 1.46 1.46 3k2bG1 LYS 169 HG3 -0.00 -0.06 -0.99 -0.04 1.46 0.38 3k2bG1 LYS 169 HD2 -0.00 -0.03 -0.05 -0.04 1.69 1.57 3k2bG1 LYS 169 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.60 3k2bG1 LYS 169 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.93 3k2bG1 LYS 169 HE3 -0.00 0.01 -0.08 -0.04 2.99 2.88 3k2bG1 GLY 170 H 0.00 0.17 0.07 -0.55 8.43 8.13 3k2bG1 GLY 170 HA2 0.01 0.39 0.66 -0.51 4.01 4.56 3k2bG1 GLY 170 HA3 0.01 0.07 0.82 -0.51 4.01 4.41 3k2bG1 THR 171 H 0.01 0.31 0.32 -0.55 8.28 8.37 3k2bG1 THR 171 HA -0.00 0.25 0.99 -0.75 4.39 4.87 3k2bG1 THR 171 HB -0.00 0.02 -0.00 -0.04 4.32 4.29 3k2bG1 THR 171 HG23 0.00 0.02 -0.07 -0.04 1.22 1.13 3k2bG1 MET 172 H -0.00 0.34 0.35 -0.55 8.47 8.61 3k2bG1 MET 172 HA 0.01 0.33 0.70 -0.75 4.52 4.80 3k2bG1 MET 172 HB2 0.01 0.09 -0.14 -0.04 2.15 2.07 3k2bG1 MET 172 HB3 -0.01 0.01 -0.16 -0.04 2.03 1.84 3k2bG1 MET 172 HG2 0.01 -0.07 -0.26 -0.04 2.63 2.27 3k2bG1 MET 172 HG3 -0.01 -0.02 -0.19 -0.04 2.56 2.30 3k2bG1 MET 172 HE3 -0.03 -0.02 -0.31 -0.04 2.10 1.69 3k2bG1 THR 173 H 0.00 0.57 0.24 -0.55 8.28 8.54 3k2bG1 THR 173 HA 0.01 0.28 0.99 -0.75 4.39 4.91 3k2bG1 THR 173 HB -0.01 0.06 0.12 -0.04 4.32 4.45 3k2bG1 THR 173 HG23 0.00 -0.00 -0.18 -0.04 1.22 0.99 3k2bG1 THR 174 H 0.03 0.44 0.39 -0.55 8.28 8.58 3k2bG1 THR 174 HA 0.03 0.35 1.32 -0.75 4.39 5.34 3k2bG1 THR 174 HB 0.10 -0.07 -0.05 -0.04 4.32 4.26 3k2bG1 THR 174 HG23 0.10 -0.00 0.10 -0.04 1.22 1.38 3k2bG1 THR 175 H -0.01 0.68 0.34 -0.55 8.28 8.74 3k2bG1 THR 175 HA 0.03 0.18 0.88 -0.75 4.39 4.72 3k2bG1 THR 175 HB -0.05 -0.04 0.29 -0.04 4.32 4.47 3k2bG1 THR 175 HG23 0.02 0.01 -0.01 -0.04 1.22 1.20 3k2bG1 HIS 176 H 0.13 0.58 0.30 -0.55 8.41 8.87 3k2bG1 HIS 176 HA -0.05 -0.03 0.84 -0.75 4.63 4.63 3k2bG1 HIS 176 HB2 0.04 -0.10 -0.07 -0.04 3.26 3.10 3k2bG1 HIS 176 HB3 0.02 0.07 -0.02 -0.04 3.20 3.22 3k2bG1 HIS 176 HD2 0.18 -0.08 -0.06 -0.04 6.97 6.97 3k2bG1 HIS 176 HE1 0.01 -0.02 -0.05 -0.04 7.75 7.65 3k2bG1 SER 177 H -0.30 -0.04 0.08 -0.55 8.46 7.65 3k2bG1 SER 177 HA -0.12 0.17 0.61 -0.75 4.49 4.40 3k2bG1 SER 177 HB2 -0.16 -0.32 -0.04 -0.04 3.95 3.39 3k2bG1 SER 177 HB3 -0.23 0.39 -0.16 -0.04 3.93 3.89 3k2bG1 TYR 178 H -0.43 0.28 0.20 -0.55 8.29 7.79 3k2bG1 TYR 178 HA 0.07 0.01 0.47 -0.75 4.56 4.36 3k2bG1 TYR 178 HB2 0.03 -0.04 0.01 -0.04 3.06 3.02 3k2bG1 TYR 178 HB3 0.03 0.10 -0.04 -0.04 2.98 3.03 3k2bG1 TYR 178 HD2 0.03 0.11 -0.39 -0.04 7.15 6.86 3k2bG1 TYR 178 HE2 0.02 0.02 -0.13 -0.04 6.85 6.72 3k2bG1 THR 179 H 0.18 0.14 0.19 -0.55 8.28 8.25 3k2bG1 THR 179 HA 0.19 0.24 0.84 -0.75 4.39 4.91 3k2bG1 THR 179 HB 0.08 -0.12 0.14 -0.04 4.32 4.38 3k2bG1 THR 179 HG23 0.16 0.05 -0.15 -0.04 1.22 1.23 3k2bG1 GLY 180 H 0.08 0.10 0.15 -0.55 8.43 8.21 3k2bG1 GLY 180 HA2 0.03 0.14 0.32 -0.51 4.01 3.99 3k2bG1 GLY 180 HA3 0.04 -0.03 0.33 -0.51 4.01 3.84 3k2bG1 ASP 181 H 0.05 -0.09 -0.38 -0.55 8.40 7.44 3k2bG1 ASP 181 HA 0.08 0.03 0.35 -0.75 4.63 4.33 3k2bG1 ASP 181 HB2 0.05 -0.07 0.07 -0.04 2.71 2.72 3k2bG1 ASP 181 HB3 0.06 -0.02 0.02 -0.04 2.70 2.72 3k2bG1 GLN 182 H 0.04 0.12 -0.16 -0.55 8.47 7.92 3k2bG1 GLN 182 HA -0.05 0.15 0.52 -0.75 4.36 4.22 3k2bG1 GLN 182 HB2 0.00 0.05 0.10 -0.04 2.15 2.25 3k2bG1 GLN 182 HB3 -0.04 0.08 0.09 -0.04 2.02 2.11 3k2bG1 GLN 182 HG2 -0.07 0.07 0.11 -0.04 2.40 2.47 3k2bG1 GLN 182 HG3 -0.00 -0.18 0.06 -0.04 2.39 2.22 3k2bG1 GLN 182 HE21 0.08 0.07 -0.02 -0.04 6.97 7.05 3k2bG1 GLN 182 HE22 -0.00 0.09 0.04 -0.04 7.69 7.78 3k2bG1 ARG 183 H -0.04 0.35 0.17 -0.55 8.46 8.39 3k2bG1 ARG 183 HA -0.01 0.10 0.74 -0.75 4.34 4.43 3k2bG1 ARG 183 HB2 -0.01 0.29 -0.08 -0.04 1.90 2.06 3k2bG1 ARG 183 HB3 0.01 -0.16 0.04 -0.04 1.80 1.65 3k2bG1 ARG 183 HG2 0.02 0.19 0.21 -0.04 1.67 2.06 3k2bG1 ARG 183 HG3 0.05 0.10 0.13 -0.04 1.67 1.90 3k2bG1 ARG 183 HD2 0.14 0.07 -0.17 -0.04 3.22 3.22 3k2bG1 ARG 183 HD3 0.28 0.06 0.02 -0.04 3.22 3.54 3k2bG1 LEU 184 H -0.04 0.12 0.12 -0.55 8.37 8.02 3k2bG1 LEU 184 HA -0.12 0.04 0.33 -0.75 4.35 3.84 3k2bG1 LEU 184 HB2 -0.05 0.02 0.10 -0.04 1.64 1.67 3k2bG1 LEU 184 HB3 -0.03 -0.06 0.09 -0.04 1.64 1.61 3k2bG1 LEU 184 HG -0.04 -0.00 -0.20 -0.04 1.64 1.36 3k2bG1 LEU 184 HD13 -0.09 -0.00 0.01 -0.04 0.93 0.82 3k2bG1 LEU 184 HD23 -0.02 -0.00 -0.02 -0.04 0.89 0.80 3k2bG1 LEU 185 H -0.02 0.06 -0.12 -0.55 8.37 7.74 3k2bG1 LEU 185 HA -0.02 0.15 0.79 -0.75 4.35 4.52 3k2bG1 LEU 185 HB2 -0.01 0.02 -0.02 -0.04 1.64 1.59 3k2bG1 LEU 185 HB3 -0.01 -0.06 0.16 -0.04 1.64 1.69 3k2bG1 LEU 185 HG -0.02 -0.07 -0.22 -0.04 1.64 1.29 3k2bG1 LEU 185 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 3k2bG1 LEU 185 HD23 -0.01 0.05 0.03 -0.04 0.89 0.92 3k2bG1 ASP 186 H -0.01 0.10 0.15 -0.55 8.40 8.09 3k2bG1 ASP 186 HA -0.01 0.41 0.77 -0.75 4.63 5.05 3k2bG1 ASP 186 HB2 -0.00 -0.04 0.21 -0.04 2.71 2.83 3k2bG1 ASP 186 HB3 -0.00 0.04 0.01 -0.04 2.70 2.71 3k2bG1 ALA 187 H 0.01 0.87 0.41 -0.55 8.40 9.14 3k2bG1 ALA 187 HA 0.01 0.03 0.54 -0.75 4.34 4.16 3k2bG1 ALA 187 HB3 0.01 -0.01 -0.05 -0.04 1.41 1.32 3k2bG1 SER 188 H 0.02 0.07 0.13 -0.55 8.46 8.13 3k2bG1 SER 188 HA 0.03 -0.01 0.33 -0.75 4.49 4.09 3k2bG1 SER 188 HB2 0.00 0.02 0.05 -0.04 3.95 3.98 3k2bG1 SER 188 HB3 0.00 -0.03 0.01 -0.04 3.93 3.87 3k2bG1 HIS 190 H 0.07 0.11 0.00 -0.55 8.41 8.05 3k2bG1 HIS 190 HA -0.01 -0.02 0.40 -0.75 4.63 4.25 3k2bG1 HIS 190 HB2 -0.01 0.48 -0.24 -0.04 3.26 3.45 3k2bG1 HIS 190 HB3 -0.01 -0.04 -0.19 -0.04 3.20 2.92 3k2bG1 HIS 190 HD2 -0.01 0.21 0.03 -0.04 6.97 7.15 3k2bG1 HIS 190 HE1 -0.01 -0.08 -0.03 -0.04 7.75 7.59 3k2bG1 ARG 191 H -0.09 0.19 0.09 -0.55 8.46 8.09 3k2bG1 ARG 191 HA 0.03 0.05 0.35 -0.75 4.34 4.02 3k2bG1 ARG 191 HB2 0.02 0.02 0.06 -0.04 1.90 1.96 3k2bG1 ARG 191 HB3 -0.03 0.03 0.14 -0.04 1.80 1.90 3k2bG1 ARG 191 HG2 -0.07 0.02 0.07 -0.04 1.67 1.65 3k2bG1 ARG 191 HG3 0.15 -0.02 -0.05 -0.04 1.67 1.70 3k2bG1 ARG 191 HD2 0.04 -0.02 -0.02 -0.04 3.22 3.18 3k2bG1 ARG 191 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 3k2bG1 ASP 192 H 0.52 0.08 -0.46 -0.55 8.40 7.99 3k2bG1 ASP 192 HA 0.04 0.13 0.77 -0.75 4.63 4.82 3k2bG1 ASP 192 HB2 0.07 0.01 0.04 -0.04 2.71 2.80 3k2bG1 ASP 192 HB3 -0.07 0.02 0.13 -0.04 2.70 2.75 3k2bG1 LEU 193 H 0.02 0.26 0.16 -0.55 8.37 8.27 3k2bG1 LEU 193 HA 0.01 0.13 0.33 -0.75 4.35 4.07 3k2bG1 LEU 193 HB2 -0.00 -0.07 0.15 -0.04 1.64 1.68 3k2bG1 LEU 193 HB3 -0.00 0.04 0.02 -0.04 1.64 1.66 3k2bG1 LEU 193 HG 0.01 0.01 0.06 -0.04 1.64 1.68 3k2bG1 LEU 193 HD13 0.01 0.02 0.03 -0.04 0.93 0.95 3k2bG1 LEU 193 HD23 0.01 0.02 0.16 -0.04 0.89 1.04 3k2bG1 ARG 194 H -0.03 0.05 -0.19 -0.55 8.46 7.75 3k2bG1 ARG 194 HA -0.03 0.08 0.42 -0.75 4.34 4.05 3k2bG1 ARG 194 HB2 -0.04 -0.06 0.10 -0.04 1.90 1.86 3k2bG1 ARG 194 HB3 -0.03 0.12 0.13 -0.04 1.80 1.98 3k2bG1 ARG 194 HG2 -0.01 0.01 0.09 -0.04 1.67 1.71 3k2bG1 ARG 194 HG3 -0.01 -0.10 0.08 -0.04 1.67 1.60 3k2bG1 ARG 194 HD2 -0.01 -0.03 0.05 -0.04 3.22 3.18 3k2bG1 ARG 194 HD3 -0.01 0.10 0.14 -0.04 3.22 3.41 3k2bG1 ARG 195 H -0.16 0.52 -0.25 -0.55 8.46 8.03 3k2bG1 ARG 195 HA -0.16 0.15 0.69 -0.75 4.34 4.26 3k2bG1 ARG 195 HB2 -1.03 0.03 0.02 -0.04 1.90 0.88 3k2bG1 ARG 195 HB3 -0.46 -0.03 0.07 -0.04 1.80 1.34 3k2bG1 ARG 195 HG2 -0.13 0.06 -0.10 -0.04 1.67 1.46 3k2bG1 ARG 195 HG3 -0.15 -0.09 0.01 -0.04 1.67 1.40 3k2bG1 ARG 195 HD2 -0.04 -0.09 0.00 -0.04 3.22 3.05 3k2bG1 ARG 195 HD3 -0.10 -0.01 -0.01 -0.04 3.22 3.05 3k2bG1 ALA 196 H -0.11 0.42 -0.26 -0.55 8.40 7.91 3k2bG1 ALA 196 HA 0.00 0.14 0.52 -0.75 4.34 4.25 3k2bG1 ALA 196 HB3 0.03 0.06 0.06 -0.04 1.41 1.52 3k2bG1 ARG 197 H -0.06 0.15 -0.55 -0.55 8.46 7.45 3k2bG1 ARG 197 HA -0.02 -0.04 0.48 -0.75 4.34 4.01 3k2bG1 ARG 197 HB2 -0.02 0.09 -0.06 -0.04 1.90 1.86 3k2bG1 ARG 197 HB3 -0.01 -0.08 -0.04 -0.04 1.80 1.63 3k2bG1 ARG 197 HG2 -0.03 0.07 0.03 -0.04 1.67 1.70 3k2bG1 ARG 197 HG3 -0.02 -0.02 0.05 -0.04 1.67 1.64 3k2bG1 ARG 197 HD2 -0.01 -0.04 -0.19 -0.04 3.22 2.94 3k2bG1 ARG 197 HD3 -0.01 -0.02 -0.07 -0.04 3.22 3.08 3k2bG1 ALA 198 H -0.01 0.00 -0.10 -0.55 8.40 7.74 3k2bG1 ALA 198 HA -0.04 0.36 -0.19 -0.75 4.34 3.72 3k2bG1 ALA 198 HB3 -0.01 -0.04 0.19 -0.04 1.41 1.50 3k2bG1 ALA 199 H -0.05 0.57 0.42 -0.55 8.40 8.79 3k2bG1 ALA 199 HA 0.03 0.01 0.10 -0.75 4.34 3.72 3k2bG1 ALA 199 HB3 -0.06 -0.03 -0.03 -0.04 1.41 1.25 3k2bG1 ALA 200 H -0.09 0.14 -0.62 -0.55 8.40 7.28 3k2bG1 ALA 200 HA 0.10 -0.02 0.37 -0.75 4.34 4.03 3k2bG1 ALA 200 HB3 -0.03 -0.03 0.08 -0.04 1.41 1.38 3k2bG1 LEU 201 H 0.02 0.64 -0.02 -0.55 8.37 8.46 3k2bG1 LEU 201 HA 0.04 0.12 0.78 -0.75 4.35 4.53 3k2bG1 LEU 201 HB2 0.01 -0.21 0.22 -0.04 1.64 1.61 3k2bG1 LEU 201 HB3 0.02 -0.04 0.08 -0.04 1.64 1.66 3k2bG1 LEU 201 HG 0.01 0.08 0.11 -0.04 1.64 1.79 3k2bG1 LEU 201 HD13 0.00 -0.03 0.06 -0.04 0.93 0.93 3k2bG1 LEU 201 HD23 0.02 0.02 -0.12 -0.04 0.89 0.77 3k2bG1 ASN 202 H 0.02 -0.02 0.00 -0.55 8.53 7.99 3k2bG1 ASN 202 HA 0.02 0.04 0.30 -0.75 4.76 4.37 3k2bG1 ASN 202 HB2 0.01 -0.05 0.16 -0.04 2.88 2.96 3k2bG1 ASN 202 HB3 0.01 -0.04 0.10 -0.04 2.79 2.82 3k2bG1 ASN 202 HD21 0.00 -0.12 -0.14 -0.04 7.03 6.73 3k2bG1 ASN 202 HD22 0.01 -0.01 0.01 -0.04 7.74 7.70 3k2bG1 ILE 203 H 0.02 0.12 0.17 -0.55 8.25 8.01 3k2bG1 ILE 203 HA 0.04 0.43 0.91 -0.75 4.18 4.80 3k2bG1 ILE 203 HB 0.02 -0.08 0.10 -0.04 1.89 1.89 3k2bG1 ILE 203 HG12 0.03 0.07 0.01 -0.04 1.49 1.56 3k2bG1 ILE 203 HG13 0.03 0.02 -0.14 -0.04 1.21 1.07 3k2bG1 ILE 203 HG23 0.02 -0.03 -0.29 -0.04 0.93 0.59 3k2bG1 ILE 203 HD13 0.02 -0.02 -0.05 -0.04 0.88 0.79 3k2bG1 VAL 204 H 0.03 0.62 0.26 -0.55 8.24 8.61 3k2bG1 VAL 204 HA 0.00 0.27 1.22 -0.75 4.13 4.86 3k2bG1 VAL 204 HB 0.00 -0.10 0.08 -0.04 2.12 2.06 3k2bG1 VAL 204 HG13 -0.03 0.03 -0.15 -0.04 0.97 0.77 3k2bG1 VAL 204 HG23 0.00 0.03 -0.23 -0.04 0.95 0.71 3k2bG1 PRO 205 HA 0.00 0.53 1.07 -0.51 4.44 5.54 3k2bG1 PRO 205 HB2 -0.00 -0.05 0.05 -0.04 2.28 2.23 3k2bG1 PRO 205 HB3 0.00 0.03 0.13 -0.04 2.02 2.14 3k2bG1 PRO 205 HG2 -0.00 0.02 0.06 -0.04 2.03 2.07 3k2bG1 PRO 205 HG3 0.00 0.05 -0.06 -0.04 2.03 1.98 3k2bG1 PRO 205 HD2 -0.01 0.03 0.29 -0.04 3.68 3.95 3k2bG1 PRO 205 HD3 0.00 0.28 0.27 -0.04 3.65 4.16 3k2bG1 THR 206 H -0.01 0.44 0.42 -0.55 8.28 8.58 3k2bG1 THR 206 HA -0.02 0.06 0.59 -0.75 4.39 4.27 3k2bG1 THR 206 HB -0.03 0.13 -0.35 -0.04 4.32 4.03 3k2bG1 THR 206 HG23 -0.04 0.07 -0.15 -0.04 1.22 1.06 3k2bG1 SER 207 H -0.01 0.08 0.15 -0.55 8.46 8.13 3k2bG1 SER 207 HA -0.01 0.13 0.41 -0.75 4.49 4.26 3k2bG1 SER 207 HB2 -0.01 -0.01 0.04 -0.04 3.95 3.93 3k2bG1 SER 207 HB3 -0.01 -0.08 0.17 -0.04 3.93 3.97 3k2bG1 THR 208 H -0.02 0.14 0.04 -0.55 8.28 7.89 3k2bG1 THR 208 HA -0.03 0.02 0.36 -0.75 4.39 3.99 3k2bG1 THR 208 HB -0.03 0.34 0.27 -0.04 4.32 4.87 3k2bG1 THR 208 HG23 -0.01 0.02 -0.32 -0.04 1.22 0.88 3k2bG1 GLY 209 H -0.02 0.24 0.09 -0.55 8.43 8.20 3k2bG1 GLY 209 HA2 -0.02 0.13 0.43 -0.51 4.01 4.05 3k2bG1 GLY 209 HA3 -0.02 0.12 0.36 -0.51 4.01 3.96 3k2bG1 ALA 210 H -0.02 0.04 -1.40 -0.55 8.40 6.48 3k2bG1 ALA 210 HA -0.03 -0.02 0.22 -0.75 4.34 3.76 3k2bG1 ALA 210 HB3 -0.02 0.03 -0.14 -0.04 1.41 1.23 3k2bG1 ALA 211 H -0.02 0.27 -0.35 -0.55 8.40 7.75 3k2bG1 ALA 211 HA -0.04 0.10 0.27 -0.75 4.34 3.92 3k2bG1 ALA 211 HB3 -0.02 0.03 -0.13 -0.04 1.41 1.25 3k2bG1 LYS 212 H -0.02 0.01 -0.16 -0.55 8.42 7.70 3k2bG1 LYS 212 HA -0.02 0.09 0.26 -0.75 4.32 3.90 3k2bG1 LYS 212 HB2 -0.02 -0.05 0.12 -0.04 1.87 1.88 3k2bG1 LYS 212 HB3 -0.02 0.02 0.10 -0.04 1.79 1.85 3k2bG1 LYS 212 HG2 -0.02 0.02 -0.06 -0.04 1.46 1.35 3k2bG1 LYS 212 HG3 -0.02 0.04 0.04 -0.04 1.46 1.48 3k2bG1 LYS 212 HD2 -0.01 0.00 0.03 -0.04 1.69 1.67 3k2bG1 LYS 212 HD3 -0.01 -0.06 0.01 -0.04 1.68 1.57 3k2bG1 LYS 212 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 3k2bG1 LYS 212 HE3 -0.01 0.05 0.01 -0.04 2.99 3.00 3k2bG1 ALA 213 H -0.03 0.96 -0.18 -0.55 8.40 8.60 3k2bG1 ALA 213 HA -0.03 -0.01 0.26 -0.75 4.34 3.81 3k2bG1 ALA 213 HB3 -0.03 0.03 -0.02 -0.04 1.41 1.35 3k2bG1 VAL 214 H -0.04 0.45 -0.17 -0.55 8.24 7.92 3k2bG1 VAL 214 HA -0.05 -0.09 0.24 -0.75 4.13 3.48 3k2bG1 VAL 214 HB -0.05 0.18 -0.08 -0.04 2.12 2.13 3k2bG1 VAL 214 HG13 -0.08 -0.01 -0.07 -0.04 0.97 0.77 3k2bG1 VAL 214 HG23 -0.08 0.07 0.04 -0.04 0.95 0.94 3k2bG1 ALA 215 H -0.03 0.53 -0.73 -0.55 8.40 7.62 3k2bG1 ALA 215 HA -0.02 0.20 0.24 -0.75 4.34 4.00 3k2bG1 ALA 215 HB3 -0.02 -0.02 0.06 -0.04 1.41 1.39 3k2bG1 LEU 216 H -0.03 0.88 0.03 -0.55 8.37 8.70 3k2bG1 LEU 216 HA -0.04 0.05 0.39 -0.75 4.35 3.99 3k2bG1 LEU 216 HB2 -0.05 -0.05 0.00 -0.04 1.64 1.49 3k2bG1 LEU 216 HB3 -0.07 -0.01 0.01 -0.04 1.64 1.52 3k2bG1 LEU 216 HG -0.03 0.09 0.08 -0.04 1.64 1.74 3k2bG1 LEU 216 HD13 -0.04 -0.04 -0.01 -0.04 0.93 0.80 3k2bG1 LEU 216 HD23 -0.04 -0.00 -0.02 -0.04 0.89 0.78 3k2bG1 VAL 217 H -0.03 0.15 -0.29 -0.55 8.24 7.52 3k2bG1 VAL 217 HA -0.02 0.17 0.70 -0.75 4.13 4.24 3k2bG1 VAL 217 HB 0.01 -0.17 0.09 -0.04 2.12 2.02 3k2bG1 VAL 217 HG13 -0.01 0.00 -0.21 -0.04 0.97 0.72 3k2bG1 VAL 217 HG23 -0.03 0.01 -0.12 -0.04 0.95 0.78 3k2bG1 LEU 218 H -0.02 0.39 -0.44 -0.55 8.37 7.75 3k2bG1 LEU 218 HA -0.01 0.11 0.67 -0.75 4.35 4.37 3k2bG1 LEU 218 HB2 -0.03 0.12 0.05 -0.04 1.64 1.74 3k2bG1 LEU 218 HB3 -0.02 -0.10 0.02 -0.04 1.64 1.50 3k2bG1 LEU 218 HG -0.02 -0.09 -0.48 -0.04 1.64 1.02 3k2bG1 LEU 218 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.73 3k2bG1 LEU 218 HD23 0.00 0.04 0.09 -0.04 0.89 0.98 3k2bG1 PRO 219 HA -0.01 0.19 0.51 -0.51 4.44 4.61 3k2bG1 PRO 219 HB2 -0.01 -0.07 0.12 -0.04 2.28 2.28 3k2bG1 PRO 219 HB3 -0.01 0.02 0.08 -0.04 2.02 2.07 3k2bG1 PRO 219 HG2 -0.01 0.02 0.05 -0.04 2.03 2.06 3k2bG1 PRO 219 HG3 -0.01 0.14 0.05 -0.04 2.03 2.16 3k2bG1 PRO 219 HD2 -0.00 0.04 0.10 -0.04 3.68 3.77 3k2bG1 PRO 219 HD3 -0.01 0.20 -0.31 -0.04 3.65 3.49 3k2bG1 ASN 220 H -0.00 0.14 -0.06 -0.55 8.53 8.06 3k2bG1 ASN 220 HA -0.00 0.04 0.32 -0.75 4.76 4.36 3k2bG1 ASN 220 HB2 -0.00 -0.04 -0.02 -0.04 2.88 2.79 3k2bG1 ASN 220 HB3 0.00 0.04 -0.03 -0.04 2.79 2.76 3k2bG1 ASN 220 HD21 0.00 0.00 0.01 -0.04 7.03 7.01 3k2bG1 ASN 220 HD22 0.00 0.02 0.02 -0.04 7.74 7.74 3k2bG1 LEU 221 H -0.01 0.25 -0.85 -0.55 8.37 7.22 3k2bG1 LEU 221 HA -0.01 0.18 0.68 -0.75 4.35 4.45 3k2bG1 LEU 221 HB2 -0.01 -0.10 -0.05 -0.04 1.64 1.43 3k2bG1 LEU 221 HB3 -0.02 0.22 -0.06 -0.04 1.64 1.74 3k2bG1 LEU 221 HG -0.02 -0.10 -0.03 -0.04 1.64 1.45 3k2bG1 LEU 221 HD13 -0.01 0.02 0.01 -0.04 0.93 0.91 3k2bG1 LEU 221 HD23 -0.04 -0.02 -0.12 -0.04 0.89 0.67 3k2bG1 LYS 222 H -0.01 1.04 0.09 -0.55 8.42 8.99 3k2bG1 LYS 222 HA -0.02 -0.08 0.37 -0.75 4.32 3.84 3k2bG1 LYS 222 HB2 -0.01 0.07 0.18 -0.04 1.87 2.07 3k2bG1 LYS 222 HB3 -0.01 0.02 0.04 -0.04 1.79 1.80 3k2bG1 LYS 222 HG2 -0.01 0.04 -0.11 -0.04 1.46 1.33 3k2bG1 LYS 222 HG3 -0.01 -0.08 0.09 -0.04 1.46 1.41 3k2bG1 LYS 222 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 3k2bG1 LYS 222 HD3 -0.01 0.02 -0.04 -0.04 1.68 1.61 3k2bG1 LYS 222 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 3k2bG1 LYS 222 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3k2bG1 GLY 223 H -0.01 0.04 0.14 -0.55 8.43 8.05 3k2bG1 GLY 223 HA2 -0.01 -0.06 0.34 -0.51 4.01 3.76 3k2bG1 GLY 223 HA3 -0.01 -0.01 0.28 -0.51 4.01 3.76 3k2bG1 LYS 224 H -0.01 0.57 -0.60 -0.55 8.42 7.83 3k2bG1 LYS 224 HA -0.01 0.01 0.62 -0.75 4.32 4.19 3k2bG1 LYS 224 HB2 -0.01 -0.02 0.21 -0.04 1.87 2.01 3k2bG1 LYS 224 HB3 -0.01 -0.10 0.11 -0.04 1.79 1.75 3k2bG1 LYS 224 HG2 -0.00 -0.10 0.11 -0.04 1.46 1.42 3k2bG1 LYS 224 HG3 -0.01 0.31 0.08 -0.04 1.46 1.80 3k2bG1 LYS 224 HD2 -0.00 -0.11 0.13 -0.04 1.69 1.66 3k2bG1 LYS 224 HD3 -0.00 0.22 0.10 -0.04 1.68 1.96 3k2bG1 LYS 224 HE2 -0.00 -0.09 0.11 -0.04 2.99 2.97 3k2bG1 LYS 224 HE3 -0.00 0.01 0.10 -0.04 2.99 3.06 3k2bG1 LEU 225 H -0.01 0.13 -0.00 -0.55 8.37 7.94 3k2bG1 LEU 225 HA -0.01 0.33 0.32 -0.75 4.35 4.24 3k2bG1 LEU 225 HB2 -0.03 -0.04 -0.15 -0.04 1.64 1.38 3k2bG1 LEU 225 HB3 -0.02 -0.16 0.07 -0.04 1.64 1.49 3k2bG1 LEU 225 HG -0.02 0.10 -0.01 -0.04 1.64 1.66 3k2bG1 LEU 225 HD13 -0.05 -0.02 -0.12 -0.04 0.93 0.70 3k2bG1 LEU 225 HD23 -0.01 -0.01 -0.20 -0.04 0.89 0.63 3k2bG1 ASN 226 H -0.01 0.25 0.21 -0.55 8.53 8.42 3k2bG1 ASN 226 HA -0.01 -0.15 0.25 -0.75 4.76 4.09 3k2bG1 ASN 226 HB2 -0.01 0.59 0.41 -0.04 2.88 3.82 3k2bG1 ASN 226 HB3 -0.01 -0.02 -0.04 -0.04 2.79 2.69 3k2bG1 ASN 226 HD21 -0.01 -0.07 0.09 -0.04 7.03 7.00 3k2bG1 ASN 226 HD22 -0.01 0.08 0.08 -0.04 7.74 7.85 3k2bG1 GLY 227 H -0.01 0.24 0.27 -0.55 8.43 8.38 3k2bG1 GLY 227 HA2 -0.00 0.00 0.41 -0.51 4.01 3.91 3k2bG1 GLY 227 HA3 -0.01 0.51 0.88 -0.51 4.01 4.88 3k2bG1 ILE 228 H -0.00 0.35 0.41 -0.55 8.25 8.46 3k2bG1 ILE 228 HA -0.01 0.12 0.76 -0.75 4.18 4.30 3k2bG1 ILE 228 HB -0.00 0.01 0.20 -0.04 1.89 2.06 3k2bG1 ILE 228 HG12 0.00 0.05 -0.25 -0.04 1.49 1.26 3k2bG1 ILE 228 HG13 -0.00 0.02 -0.05 -0.04 1.21 1.15 3k2bG1 ILE 228 HG23 -0.00 -0.01 -0.22 -0.04 0.93 0.66 3k2bG1 ILE 228 HD13 -0.00 -0.01 0.03 -0.04 0.88 0.87 3k2bG1 ALA 229 H -0.00 0.41 0.38 -0.55 8.40 8.65 3k2bG1 ALA 229 HA 0.02 0.09 1.16 -0.75 4.34 4.86 3k2bG1 ALA 229 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 3k2bG1 LEU 230 H 0.04 0.87 0.48 -0.55 8.37 9.22 3k2bG1 LEU 230 HA 0.02 0.21 0.98 -0.75 4.35 4.80 3k2bG1 LEU 230 HB2 0.02 -0.01 0.14 -0.04 1.64 1.74 3k2bG1 LEU 230 HB3 0.02 0.03 -0.05 -0.04 1.64 1.61 3k2bG1 LEU 230 HG 0.01 -0.07 -0.27 -0.04 1.64 1.27 3k2bG1 LEU 230 HD13 0.01 0.00 -0.11 -0.04 0.93 0.79 3k2bG1 LEU 230 HD23 0.01 0.01 -0.13 -0.04 0.89 0.74 3k2bG1 ARG 231 H 0.03 1.37 0.40 -0.55 8.46 9.70 3k2bG1 ARG 231 HA 0.08 0.32 0.79 -0.75 4.34 4.78 3k2bG1 ARG 231 HB2 0.04 -0.04 0.27 -0.04 1.90 2.12 3k2bG1 ARG 231 HB3 0.09 0.03 0.01 -0.04 1.80 1.89 3k2bG1 ARG 231 HG2 0.01 -0.03 -0.12 -0.04 1.67 1.49 3k2bG1 ARG 231 HG3 0.01 -0.07 -0.05 -0.04 1.67 1.51 3k2bG1 ARG 231 HD2 0.11 0.03 -0.19 -0.04 3.22 3.13 3k2bG1 ARG 231 HD3 0.09 0.10 -0.19 -0.04 3.22 3.18 3k2bG1 VAL 232 H 0.05 0.53 0.30 -0.55 8.24 8.57 3k2bG1 VAL 232 HA 0.05 0.24 0.88 -0.75 4.13 4.54 3k2bG1 VAL 232 HB 0.03 0.05 0.01 -0.04 2.12 2.17 3k2bG1 VAL 232 HG13 0.03 0.00 -0.14 -0.04 0.97 0.83 3k2bG1 VAL 232 HG23 0.01 0.00 -0.15 -0.04 0.95 0.77 3k2bG1 PRO 233 HA 0.16 0.06 0.43 -0.51 4.44 4.58 3k2bG1 PRO 233 HB2 0.06 -0.16 0.28 -0.04 2.28 2.42 3k2bG1 PRO 233 HB3 0.14 0.21 0.28 -0.04 2.02 2.62 3k2bG1 PRO 233 HG2 0.07 0.21 0.21 -0.04 2.03 2.48 3k2bG1 PRO 233 HG3 0.12 0.24 -0.09 -0.04 2.03 2.26 3k2bG1 PRO 233 HD2 0.04 -0.08 0.20 -0.04 3.68 3.81 3k2bG1 PRO 233 HD3 0.06 0.25 0.35 -0.04 3.65 4.26 3k2bG1 THR 234 H -0.30 0.64 0.33 -0.55 8.28 8.40 3k2bG1 THR 234 HA -0.15 0.21 0.91 -0.75 4.39 4.60 3k2bG1 THR 234 HB -0.12 0.00 -0.03 -0.04 4.32 4.13 3k2bG1 THR 234 HG23 -0.03 -0.00 -0.04 -0.04 1.22 1.11 3k2bG1 PRO 235 HA -0.33 0.07 0.40 -0.51 4.44 4.08 3k2bG1 PRO 235 HB2 0.00 -0.04 -0.01 -0.04 2.28 2.18 3k2bG1 PRO 235 HB3 0.05 0.04 0.09 -0.04 2.02 2.16 3k2bG1 PRO 235 HG2 -0.06 -0.05 0.14 -0.04 2.03 2.02 3k2bG1 PRO 235 HG3 -0.02 0.08 0.09 -0.04 2.03 2.14 3k2bG1 PRO 235 HD2 -0.10 0.11 0.26 -0.04 3.68 3.92 3k2bG1 PRO 235 HD3 -0.06 0.19 0.18 -0.04 3.65 3.91 3k2bG1 ASN 236 H -0.11 0.27 -0.08 -0.55 8.53 8.06 3k2bG1 ASN 236 HA -0.09 0.09 0.62 -0.75 4.76 4.63 3k2bG1 ASN 236 HB2 -0.00 0.11 -0.20 -0.04 2.88 2.74 3k2bG1 ASN 236 HB3 -0.02 0.06 -0.06 -0.04 2.79 2.72 3k2bG1 ASN 236 HD21 0.08 -0.20 0.02 -0.04 7.03 6.88 3k2bG1 ASN 236 HD22 0.01 0.15 -0.07 -0.04 7.74 7.79 3k2bG1 VAL 237 H -0.12 -0.09 0.16 -0.55 8.24 7.64 3k2bG1 VAL 237 HA -0.09 -0.07 0.58 -0.75 4.13 3.80 3k2bG1 VAL 237 HB -0.00 0.23 0.51 -0.04 2.12 2.82 3k2bG1 VAL 237 HG13 0.16 0.02 -0.07 -0.04 0.97 1.03 3k2bG1 VAL 237 HG23 0.01 -0.01 -0.33 -0.04 0.95 0.58 3k2bG1 SER 238 H -0.37 0.72 0.48 -0.55 8.46 8.75 3k2bG1 SER 238 HA -0.16 0.39 1.02 -0.75 4.49 4.98 3k2bG1 SER 238 HB2 -1.47 -0.07 0.04 -0.04 3.95 2.41 3k2bG1 SER 238 HB3 -0.38 0.02 0.08 -0.04 3.93 3.61 3k2bG1 VAL 239 H -0.07 0.46 0.26 -0.55 8.24 8.33 3k2bG1 VAL 239 HA -0.00 0.22 0.95 -0.75 4.13 4.54 3k2bG1 VAL 239 HB -1.15 -0.02 -0.14 -0.04 2.12 0.78 3k2bG1 VAL 239 HG13 -0.44 0.00 0.06 -0.04 0.97 0.55 3k2bG1 VAL 239 HG23 -1.09 0.08 -0.17 -0.04 0.95 -0.27 3k2bG1 VAL 240 H 0.01 0.43 0.30 -0.55 8.24 8.43 3k2bG1 VAL 240 HA 0.04 0.06 0.85 -0.75 4.13 4.33 3k2bG1 VAL 240 HB 0.05 -0.03 -0.03 -0.04 2.12 2.06 3k2bG1 VAL 240 HG13 -0.04 -0.01 -0.07 -0.04 0.97 0.80 3k2bG1 VAL 240 HG23 0.13 0.04 -0.05 -0.04 0.95 1.03 3k2bG1 ASP 241 H -0.01 0.23 0.16 -0.55 8.40 8.24 3k2bG1 ASP 241 HA -0.06 0.26 0.94 -0.75 4.63 5.02 3k2bG1 ASP 241 HB2 -0.08 -0.01 -0.04 -0.04 2.71 2.54 3k2bG1 ASP 241 HB3 -0.03 0.03 0.34 -0.04 2.70 2.99 3k2bG1 LEU 242 H 0.04 0.35 0.16 -0.55 8.37 8.37 3k2bG1 LEU 242 HA 0.02 0.21 1.21 -0.75 4.35 5.03 3k2bG1 LEU 242 HB2 0.04 0.31 0.19 -0.04 1.64 2.14 3k2bG1 LEU 242 HB3 0.08 -0.19 0.02 -0.04 1.64 1.51 3k2bG1 LEU 242 HG 0.13 -0.02 -0.46 -0.04 1.64 1.25 3k2bG1 LEU 242 HD13 0.12 -0.01 -0.14 -0.04 0.93 0.86 3k2bG1 LEU 242 HD23 0.36 0.03 0.01 -0.04 0.89 1.24 3k2bG1 VAL 243 H 0.03 0.45 0.28 -0.55 8.24 8.45 3k2bG1 VAL 243 HA 0.03 0.23 1.01 -0.75 4.13 4.64 3k2bG1 VAL 243 HB 0.00 -0.11 0.09 -0.04 2.12 2.07 3k2bG1 VAL 243 HG13 -0.01 0.00 -0.22 -0.04 0.97 0.70 3k2bG1 VAL 243 HG23 -0.00 0.03 -0.32 -0.04 0.95 0.62 3k2bG1 VAL 244 H 0.04 0.32 0.23 -0.55 8.24 8.28 3k2bG1 VAL 244 HA 0.02 0.15 0.86 -0.75 4.13 4.40 3k2bG1 VAL 244 HB 0.04 0.01 -0.02 -0.04 2.12 2.10 3k2bG1 VAL 244 HG13 0.06 0.04 -0.02 -0.04 0.97 1.01 3k2bG1 VAL 244 HG23 0.07 -0.04 0.03 -0.04 0.95 0.97 3k2bG1 GLN 245 H 0.01 0.11 -0.18 -0.55 8.47 7.86 3k2bG1 GLN 245 HA -0.02 0.30 0.79 -0.75 4.36 4.68 3k2bG1 GLN 245 HB2 -0.01 -0.03 0.02 -0.04 2.15 2.09 3k2bG1 GLN 245 HB3 -0.00 -0.16 0.17 -0.04 2.02 1.98 3k2bG1 GLN 245 HG2 -0.01 0.10 0.10 -0.04 2.40 2.55 3k2bG1 GLN 245 HG3 -0.02 0.19 0.13 -0.04 2.39 2.66 3k2bG1 GLN 245 HE21 -0.01 -0.03 0.01 -0.04 6.97 6.90 3k2bG1 GLN 245 HE22 -0.01 0.05 0.04 -0.04 7.69 7.72 3k2bG1 VAL 246 H -0.02 0.08 -0.28 -0.55 8.24 7.46 3k2bG1 VAL 246 HA 0.03 0.28 0.52 -0.75 4.13 4.21 3k2bG1 VAL 246 HB 0.03 0.18 0.25 -0.04 2.12 2.54 3k2bG1 VAL 246 HG13 0.01 -0.03 -0.11 -0.04 0.97 0.80 3k2bG1 VAL 246 HG23 -0.12 -0.04 -0.06 -0.04 0.95 0.69 3k2bG1 SER 247 H 0.05 0.66 0.51 -0.55 8.46 9.13 3k2bG1 SER 247 HA 0.01 0.16 0.82 -0.75 4.49 4.72 3k2bG1 SER 247 HB2 0.01 -0.04 0.17 -0.04 3.95 4.05 3k2bG1 SER 247 HB3 0.02 -0.05 0.07 -0.04 3.93 3.92 3k2bG1 LYS 248 H 0.03 0.23 -0.07 -0.55 8.42 8.06 3k2bG1 LYS 248 HA 0.01 0.08 0.85 -0.75 4.32 4.51 3k2bG1 LYS 248 HB2 0.06 -0.00 -0.17 -0.04 1.87 1.72 3k2bG1 LYS 248 HB3 0.17 0.02 0.10 -0.04 1.79 2.03 3k2bG1 LYS 248 HG2 0.08 0.24 -0.16 -0.04 1.46 1.58 3k2bG1 LYS 248 HG3 0.04 -0.07 0.06 -0.04 1.46 1.45 3k2bG1 LYS 248 HD2 0.05 -0.04 -0.04 -0.04 1.69 1.62 3k2bG1 LYS 248 HD3 0.13 0.06 -0.00 -0.04 1.68 1.84 3k2bG1 LYS 248 HE2 0.09 0.03 0.01 -0.04 2.99 3.08 3k2bG1 LYS 248 HE3 0.04 -0.05 0.00 -0.04 2.99 2.95 3k2bG1 LYS 249 H -0.03 0.08 0.08 -0.55 8.42 8.00 3k2bG1 LYS 249 HA -0.15 0.12 0.29 -0.75 4.32 3.82 3k2bG1 LYS 249 HB2 -0.06 -0.03 0.10 -0.04 1.87 1.85 3k2bG1 LYS 249 HB3 -0.19 -0.01 -0.00 -0.04 1.79 1.54 3k2bG1 LYS 249 HG2 -0.10 0.00 -0.02 -0.04 1.46 1.30 3k2bG1 LYS 249 HG3 -0.05 0.02 0.03 -0.04 1.46 1.41 3k2bG1 LYS 249 HD2 -0.02 0.00 0.01 -0.04 1.69 1.64 3k2bG1 LYS 249 HD3 -0.05 -0.02 -0.01 -0.04 1.68 1.55 3k2bG1 LYS 249 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 3k2bG1 LYS 249 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.91 3k2bG1 THR 250 H -0.38 0.41 0.35 -0.55 8.28 8.12 3k2bG1 THR 250 HA -0.20 0.11 0.63 -0.75 4.39 4.18 3k2bG1 THR 250 HB -0.31 0.22 -0.10 -0.04 4.32 4.09 3k2bG1 THR 250 HG23 -0.51 0.01 -0.08 -0.04 1.22 0.61 3k2bG1 PHE 251 H -0.04 0.20 0.20 -0.55 8.34 8.14 3k2bG1 PHE 251 HA -0.07 0.20 0.82 -0.75 4.62 4.82 3k2bG1 PHE 251 HB2 -0.03 -0.08 0.04 -0.04 3.15 3.04 3k2bG1 PHE 251 HB3 -0.03 -0.08 0.16 -0.04 3.06 3.07 3k2bG1 PHE 251 HD2 -0.02 -0.04 -0.02 -0.04 7.28 7.17 3k2bG1 PHE 251 HE2 -0.01 0.03 -0.05 -0.04 7.38 7.31 3k2bG1 PHE 251 HZ -0.01 0.03 -0.05 -0.04 7.32 7.25 3k2bG1 ALA 252 H 0.13 0.21 0.16 -0.55 8.40 8.35 3k2bG1 ALA 252 HA -0.01 0.12 0.37 -0.75 4.34 4.05 3k2bG1 ALA 252 HB3 0.04 0.04 0.02 -0.04 1.41 1.47 3k2bG1 GLU 253 H 0.07 0.09 -0.04 -0.55 8.60 8.18 3k2bG1 GLU 253 HA 0.03 0.14 0.38 -0.75 4.29 4.08 3k2bG1 GLU 253 HB2 0.02 -0.05 0.11 -0.04 2.09 2.13 3k2bG1 GLU 253 HB3 0.02 0.06 -0.09 -0.04 1.99 1.94 3k2bG1 GLU 253 HG2 -0.00 0.05 -0.01 -0.04 2.34 2.34 3k2bG1 GLU 253 HG3 0.01 0.03 0.05 -0.04 2.34 2.39 3k2bG1 GLU 254 H 0.09 0.03 -0.32 -0.55 8.60 7.85 3k2bG1 GLU 254 HA 0.06 0.10 0.47 -0.75 4.29 4.17 3k2bG1 GLU 254 HB2 0.14 -0.01 0.06 -0.04 2.09 2.24 3k2bG1 GLU 254 HB3 0.14 -0.04 0.07 -0.04 1.99 2.11 3k2bG1 GLU 254 HG2 0.33 0.06 -0.09 -0.04 2.34 2.59 3k2bG1 GLU 254 HG3 0.12 -0.00 0.06 -0.04 2.34 2.47 3k2bG1 VAL 255 H -0.05 0.31 -0.25 -0.55 8.24 7.71 3k2bG1 VAL 255 HA -0.16 0.08 0.36 -0.75 4.13 3.65 3k2bG1 VAL 255 HB -0.10 0.18 0.16 -0.04 2.12 2.31 3k2bG1 VAL 255 HG13 -0.26 -0.02 -0.16 -0.04 0.97 0.50 3k2bG1 VAL 255 HG23 -0.27 0.17 0.00 -0.04 0.95 0.81 3k2bG1 ASN 256 H -0.06 0.39 -0.29 -0.55 8.53 8.02 3k2bG1 ASN 256 HA -0.01 0.00 0.33 -0.75 4.76 4.33 3k2bG1 ASN 256 HB2 0.04 0.19 0.08 -0.04 2.88 3.14 3k2bG1 ASN 256 HB3 0.11 -0.05 0.02 -0.04 2.79 2.84 3k2bG1 ASN 256 HD21 0.08 0.06 0.02 -0.04 7.03 7.15 3k2bG1 ASN 256 HD22 0.07 -0.02 0.01 -0.04 7.74 7.76 3k2bG1 ALA 257 H -0.02 0.27 -0.29 -0.55 8.40 7.81 3k2bG1 ALA 257 HA 0.02 0.01 0.37 -0.75 4.34 3.98 3k2bG1 ALA 257 HB3 0.02 0.05 0.10 -0.04 1.41 1.54 3k2bG1 ALA 258 H -0.07 0.46 -0.18 -0.55 8.40 8.06 3k2bG1 ALA 258 HA -0.04 0.00 0.33 -0.75 4.34 3.88 3k2bG1 ALA 258 HB3 -0.13 0.06 0.02 -0.04 1.41 1.32 3k2bG1 PHE 259 H -0.19 0.26 -0.37 -0.55 8.34 7.49 3k2bG1 PHE 259 HA 0.05 0.01 0.41 -0.75 4.62 4.34 3k2bG1 PHE 259 HB2 0.02 0.13 0.18 -0.04 3.15 3.44 3k2bG1 PHE 259 HB3 0.00 -0.05 -0.05 -0.04 3.06 2.92 3k2bG1 PHE 259 HD2 0.04 -0.02 -0.10 -0.04 7.28 7.15 3k2bG1 PHE 259 HE2 0.05 -0.01 -0.11 -0.04 7.38 7.27 3k2bG1 PHE 259 HZ -0.02 -0.06 -0.11 -0.04 7.32 7.09 3k2bG1 ARG 260 H 0.15 0.86 0.11 -0.55 8.46 9.04 3k2bG1 ARG 260 HA 0.07 -0.03 0.33 -0.75 4.34 3.96 3k2bG1 ARG 260 HB2 0.05 0.06 0.10 -0.04 1.90 2.07 3k2bG1 ARG 260 HB3 0.04 -0.03 0.01 -0.04 1.80 1.78 3k2bG1 ARG 260 HG2 0.05 -0.03 0.04 -0.04 1.67 1.70 3k2bG1 ARG 260 HG3 0.10 0.04 0.01 -0.04 1.67 1.78 3k2bG1 ARG 260 HD2 0.04 -0.03 -0.10 -0.04 3.22 3.09 3k2bG1 ARG 260 HD3 0.03 0.01 -0.02 -0.04 3.22 3.20 3k2bG1 ASP 261 H 0.06 0.66 -0.36 -0.55 8.40 8.21 3k2bG1 ASP 261 HA 0.03 0.05 0.46 -0.75 4.63 4.41 3k2bG1 ASP 261 HB2 0.02 0.15 0.12 -0.04 2.71 2.96 3k2bG1 ASP 261 HB3 0.02 -0.04 -0.02 -0.04 2.70 2.61 3k2bG1 SER 262 H 0.07 0.55 0.09 -0.55 8.46 8.63 3k2bG1 SER 262 HA 0.05 -0.15 0.46 -0.75 4.49 4.10 3k2bG1 SER 262 HB2 0.12 0.17 0.15 -0.04 3.95 4.35 3k2bG1 SER 262 HB3 0.08 -0.24 0.13 -0.04 3.93 3.86 3k2bG1 ALA 263 H 0.08 0.56 -0.54 -0.55 8.40 7.96 3k2bG1 ALA 263 HA 0.05 0.14 0.10 -0.75 4.34 3.87 3k2bG1 ALA 263 HB3 0.02 0.10 -0.02 -0.04 1.41 1.47 3k2bG1 GLU 264 H 0.04 0.53 -0.30 -0.55 8.60 8.32 3k2bG1 GLU 264 HA 0.04 0.16 0.92 -0.75 4.29 4.66 3k2bG1 GLU 264 HB2 0.03 -0.04 0.04 -0.04 2.09 2.08 3k2bG1 GLU 264 HB3 0.03 0.01 0.09 -0.04 1.99 2.07 3k2bG1 GLU 264 HG2 0.03 0.01 0.20 -0.04 2.34 2.54 3k2bG1 GLU 264 HG3 0.03 -0.01 0.13 -0.04 2.34 2.45 3k2bG1 LYS 265 H 0.04 0.41 -0.21 -0.55 8.42 8.11 3k2bG1 LYS 265 HA 0.03 0.20 0.96 -0.75 4.32 4.76 3k2bG1 LYS 265 HB2 0.03 0.03 -0.05 -0.04 1.87 1.83 3k2bG1 LYS 265 HB3 0.03 -0.11 0.11 -0.04 1.79 1.77 3k2bG1 LYS 265 HG2 0.02 0.01 -0.03 -0.04 1.46 1.42 3k2bG1 LYS 265 HG3 0.02 -0.06 -0.01 -0.04 1.46 1.36 3k2bG1 LYS 265 HD2 0.02 0.11 0.17 -0.04 1.69 1.96 3k2bG1 LYS 265 HD3 0.02 -0.05 0.03 -0.04 1.68 1.64 3k2bG1 LYS 265 HE2 0.03 0.06 -0.36 -0.04 2.99 2.67 3k2bG1 LYS 265 HE3 0.02 0.00 -0.03 -0.04 2.99 2.94 3k2bG1 GLU 266 H 0.04 -0.00 0.21 -0.55 8.60 8.30 3k2bG1 GLU 266 HA 0.04 0.13 0.60 -0.75 4.29 4.30 3k2bG1 GLU 266 HB2 0.05 -0.19 0.28 -0.04 2.09 2.19 3k2bG1 GLU 266 HB3 0.04 0.07 0.10 -0.04 1.99 2.16 3k2bG1 GLU 266 HG2 0.03 -0.05 0.12 -0.04 2.34 2.39 3k2bG1 GLU 266 HG3 0.03 0.02 0.07 -0.04 2.34 2.41 3k2bG1 LEU 267 H 0.07 -0.05 0.03 -0.55 8.37 7.87 3k2bG1 LEU 267 HA 0.08 0.14 0.46 -0.75 4.35 4.27 3k2bG1 LEU 267 HB2 0.09 -0.01 -0.09 -0.04 1.64 1.59 3k2bG1 LEU 267 HB3 0.10 -0.08 0.05 -0.04 1.64 1.67 3k2bG1 LEU 267 HG 0.08 -0.07 0.04 -0.04 1.64 1.65 3k2bG1 LEU 267 HD13 0.11 0.01 -0.10 -0.04 0.93 0.91 3k2bG1 LEU 267 HD23 0.06 0.00 -0.09 -0.04 0.89 0.83 3k2bG1 LYS 268 H 0.07 0.60 -0.62 -0.55 8.42 7.92 3k2bG1 LYS 268 HA 0.12 0.32 0.68 -0.75 4.32 4.68 3k2bG1 LYS 268 HB2 0.07 0.02 -0.24 -0.04 1.87 1.68 3k2bG1 LYS 268 HB3 0.07 0.06 0.05 -0.04 1.79 1.92 3k2bG1 LYS 268 HG2 0.09 -0.07 -0.25 -0.04 1.46 1.19 3k2bG1 LYS 268 HG3 0.11 0.01 0.01 -0.04 1.46 1.55 3k2bG1 LYS 268 HD2 0.05 0.02 -0.02 -0.04 1.69 1.70 3k2bG1 LYS 268 HD3 0.06 -0.08 -0.02 -0.04 1.68 1.60 3k2bG1 LYS 268 HE2 0.05 0.07 -0.13 -0.04 2.99 2.93 3k2bG1 LYS 268 HE3 0.04 -0.04 0.04 -0.04 2.99 2.99 3k2bG1 GLY 269 H 0.37 0.33 0.14 -0.55 8.43 8.73 3k2bG1 GLY 269 HA2 0.20 -0.02 0.30 -0.51 4.01 3.99 3k2bG1 GLY 269 HA3 0.09 0.20 0.75 -0.51 4.01 4.53 3k2bG1 ILE 270 H 0.16 0.16 -0.81 -0.55 8.25 7.21 3k2bG1 ILE 270 HA 0.13 0.07 0.56 -0.75 4.18 4.19 3k2bG1 ILE 270 HB 0.11 -0.03 -0.04 -0.04 1.89 1.89 3k2bG1 ILE 270 HG12 0.08 0.11 -0.19 -0.04 1.49 1.45 3k2bG1 ILE 270 HG13 0.06 -0.05 -0.05 -0.04 1.21 1.13 3k2bG1 ILE 270 HG23 0.08 -0.02 0.02 -0.04 0.93 0.96 3k2bG1 ILE 270 HD13 0.04 0.02 -0.22 -0.04 0.88 0.68 3k2bG1 LEU 271 H 0.19 0.64 0.07 -0.55 8.37 8.73 3k2bG1 LEU 271 HA 0.11 0.28 1.03 -0.75 4.35 5.01 3k2bG1 LEU 271 HB2 0.09 -0.07 -0.10 -0.04 1.64 1.51 3k2bG1 LEU 271 HB3 0.07 0.11 0.08 -0.04 1.64 1.86 3k2bG1 LEU 271 HG -0.02 -0.02 -0.32 -0.04 1.64 1.24 3k2bG1 LEU 271 HD13 -0.09 -0.01 0.05 -0.04 0.93 0.85 3k2bG1 LEU 271 HD23 0.10 -0.04 -0.05 -0.04 0.89 0.86 3k2bG1 ASP 272 H -0.17 0.44 0.31 -0.55 8.40 8.43 3k2bG1 ASP 272 HA -0.40 0.17 0.73 -0.75 4.63 4.38 3k2bG1 ASP 272 HB2 -3.04 0.09 -0.19 -0.04 2.71 -0.47 3k2bG1 ASP 272 HB3 -0.90 -0.04 -0.01 -0.04 2.70 1.70 3k2bG1 VAL 273 H -0.14 0.24 0.07 -0.55 8.24 7.87 3k2bG1 VAL 273 HA -0.06 0.21 1.17 -0.75 4.13 4.69 3k2bG1 VAL 273 HB 0.01 -0.01 0.18 -0.04 2.12 2.27 3k2bG1 VAL 273 HG13 0.06 0.00 -0.04 -0.04 0.97 0.95 3k2bG1 VAL 273 HG23 0.04 0.00 -0.22 -0.04 0.95 0.72 3k2bG1 CYS 274 H 0.02 0.20 0.05 -0.55 8.50 8.23 3k2bG1 CYS 274 HA 0.04 0.08 0.69 -0.75 4.58 4.64 3k2bG1 CYS 274 HB2 0.14 0.03 -0.01 -0.04 2.97 3.10 3k2bG1 CYS 274 HB3 0.22 0.03 -0.02 -0.04 2.97 3.16 3k2bG1 ASP 275 H 0.04 0.07 0.22 -0.55 8.40 8.19 3k2bG1 ASP 275 HA 0.06 0.07 1.02 -0.75 4.63 5.02 3k2bG1 ASP 275 HB2 0.03 0.00 0.12 -0.04 2.71 2.82 3k2bG1 ASP 275 HB3 0.04 -0.00 0.07 -0.04 2.70 2.76 3k2bG1 GLU 276 H 0.03 -0.04 0.12 -0.55 8.60 8.17 3k2bG1 GLU 276 HA 0.02 0.13 0.38 -0.75 4.29 4.07 3k2bG1 GLU 276 HB2 -0.02 -0.04 0.05 -0.04 2.09 2.04 3k2bG1 GLU 276 HB3 -0.02 0.09 0.11 -0.04 1.99 2.13 3k2bG1 GLU 276 HG2 0.00 0.04 0.06 -0.04 2.34 2.40 3k2bG1 GLU 276 HG3 0.01 -0.10 0.13 -0.04 2.34 2.34 3k2bG1 PRO 277 HA 0.07 0.21 0.61 -0.51 4.44 4.82 3k2bG1 PRO 277 HB2 0.02 0.03 0.21 -0.04 2.28 2.50 3k2bG1 PRO 277 HB3 0.03 0.04 0.11 -0.04 2.02 2.15 3k2bG1 PRO 277 HG2 -0.01 0.02 -0.00 -0.04 2.03 2.00 3k2bG1 PRO 277 HG3 0.00 0.03 0.07 -0.04 2.03 2.09 3k2bG1 PRO 277 HD2 -0.01 0.06 0.14 -0.04 3.68 3.83 3k2bG1 PRO 277 HD3 0.01 0.12 0.17 -0.04 3.65 3.91 3k2bG1 LEU 278 H -0.02 0.17 -0.57 -0.55 8.37 7.40 3k2bG1 LEU 278 HA -0.18 0.03 0.27 -0.75 4.35 3.72 3k2bG1 LEU 278 HB2 -0.52 0.04 -0.12 -0.04 1.64 0.99 3k2bG1 LEU 278 HB3 -0.61 -0.03 0.06 -0.04 1.64 1.01 3k2bG1 LEU 278 HG -0.10 -0.02 -0.17 -0.04 1.64 1.31 3k2bG1 LEU 278 HD13 -0.34 0.01 -0.07 -0.04 0.93 0.50 3k2bG1 LEU 278 HD23 -0.15 -0.00 -0.10 -0.04 0.89 0.59 3k2bG1 VAL 279 H -0.36 0.08 0.11 -0.55 8.24 7.52 3k2bG1 VAL 279 HA -0.26 0.30 0.80 -0.75 4.13 4.22 3k2bG1 VAL 279 HB -0.14 -0.14 0.14 -0.04 2.12 1.94 3k2bG1 VAL 279 HG13 -0.03 0.06 -0.05 -0.04 0.97 0.91 3k2bG1 VAL 279 HG23 -0.16 -0.01 -0.04 -0.04 0.95 0.70 3k2bG1 SER 280 H -0.30 0.21 0.11 -0.55 8.46 7.94 3k2bG1 SER 280 HA -0.47 0.09 0.35 -0.75 4.49 3.70 3k2bG1 SER 280 HB2 0.03 0.09 0.00 -0.04 3.95 4.03 3k2bG1 SER 280 HB3 0.16 0.06 0.07 -0.04 3.93 4.18 3k2bG1 VAL 281 H -0.14 0.12 -0.06 -0.55 8.24 7.62 3k2bG1 VAL 281 HA -0.09 0.08 0.31 -0.75 4.13 3.67 3k2bG1 VAL 281 HB -0.08 -0.00 0.12 -0.04 2.12 2.12 3k2bG1 VAL 281 HG13 -0.13 -0.01 -0.18 -0.04 0.97 0.61 3k2bG1 VAL 281 HG23 -0.08 0.02 0.09 -0.04 0.95 0.94 3k2bG1 ASP 282 H -0.35 0.29 -0.90 -0.55 8.40 6.89 3k2bG1 ASP 282 HA -0.24 0.19 0.75 -0.75 4.63 4.57 3k2bG1 ASP 282 HB2 -0.71 0.13 0.07 -0.04 2.71 2.15 3k2bG1 ASP 282 HB3 -0.47 0.00 0.08 -0.04 2.70 2.27 3k2bG1 PHE 283 H -0.19 0.64 0.03 -0.55 8.34 8.27 3k2bG1 PHE 283 HA -0.06 0.21 0.77 -0.75 4.62 4.79 3k2bG1 PHE 283 HB2 -0.15 0.04 0.07 -0.04 3.15 3.07 3k2bG1 PHE 283 HB3 0.03 -0.08 0.07 -0.04 3.06 3.05 3k2bG1 PHE 283 HD2 -0.57 -0.00 -0.12 -0.04 7.28 6.54 3k2bG1 PHE 283 HE2 -0.81 -0.01 -0.25 -0.04 7.38 6.27 3k2bG1 PHE 283 HZ -0.19 0.03 -0.17 -0.04 7.32 6.94 3k2bG1 ARG 284 H -0.06 0.19 -0.48 -0.55 8.46 7.56 3k2bG1 ARG 284 HA 0.03 -0.11 0.36 -0.75 4.34 3.87 3k2bG1 ARG 284 HB2 -0.10 0.12 -0.04 -0.04 1.90 1.84 3k2bG1 ARG 284 HB3 -0.10 -0.05 0.04 -0.04 1.80 1.65 3k2bG1 ARG 284 HG2 -0.03 -0.13 -0.06 -0.04 1.67 1.41 3k2bG1 ARG 284 HG3 -0.07 0.20 -0.04 -0.04 1.67 1.72 3k2bG1 ARG 284 HD2 -0.08 0.10 0.05 -0.04 3.22 3.24 3k2bG1 ARG 284 HD3 -0.07 -0.01 0.00 -0.04 3.22 3.11 3k2bG1 CYS 285 H -0.09 -0.00 0.10 -0.55 8.50 7.96 3k2bG1 CYS 285 HA -0.69 -0.07 0.22 -0.75 4.58 3.28 3k2bG1 CYS 285 HB2 -0.32 0.10 -0.30 -0.04 2.97 2.41 3k2bG1 CYS 285 HB3 -0.62 0.05 0.13 -0.04 2.97 2.49 3k2bG1 SER 286 H 0.19 0.10 -0.72 -0.55 8.46 7.48 3k2bG1 SER 286 HA 0.18 0.11 0.58 -0.75 4.49 4.60 3k2bG1 SER 286 HB2 0.34 -0.06 0.00 -0.04 3.95 4.20 3k2bG1 SER 286 HB3 0.25 0.15 -0.04 -0.04 3.93 4.26 3k2bG1 ASP 287 H 0.02 0.22 0.11 -0.55 8.40 8.21 3k2bG1 ASP 287 HA 0.03 0.07 0.34 -0.75 4.63 4.32 3k2bG1 ASP 287 HB2 -0.38 0.01 0.06 -0.04 2.71 2.36 3k2bG1 ASP 287 HB3 -0.19 0.03 0.16 -0.04 2.70 2.66 3k2bG1 PHE 288 H 0.16 -0.00 -0.83 -0.55 8.34 7.12 3k2bG1 PHE 288 HA 0.08 0.40 0.82 -0.75 4.62 5.16 3k2bG1 PHE 288 HB2 0.11 -0.10 -0.07 -0.04 3.15 3.05 3k2bG1 PHE 288 HB3 0.08 0.08 -0.25 -0.04 3.06 2.92 3k2bG1 PHE 288 HD2 0.08 -0.01 -0.49 -0.04 7.28 6.83 3k2bG1 PHE 288 HE2 0.06 -0.09 -0.08 -0.04 7.38 7.22 3k2bG1 PHE 288 HZ 0.05 0.02 -0.05 -0.04 7.32 7.30 3k2bG1 SER 289 H 0.14 0.33 0.16 -0.55 8.46 8.54 3k2bG1 SER 289 HA 0.15 -0.13 0.20 -0.75 4.49 3.96 3k2bG1 SER 289 HB2 0.10 0.06 0.18 -0.04 3.95 4.25 3k2bG1 SER 289 HB3 0.07 0.23 0.03 -0.04 3.93 4.22 3k2bG1 THR 290 H 0.18 0.41 -0.26 -0.55 8.28 8.05 3k2bG1 THR 290 HA 0.11 0.12 0.81 -0.75 4.39 4.68 3k2bG1 THR 290 HB 0.13 0.02 -0.02 -0.04 4.32 4.41 3k2bG1 THR 290 HG23 0.12 -0.03 0.03 -0.04 1.22 1.31 3k2bG1 THR 291 H 0.06 0.58 0.26 -0.55 8.28 8.64 3k2bG1 THR 291 HA -0.03 0.26 1.05 -0.75 4.39 4.91 3k2bG1 THR 291 HB 0.13 0.09 0.05 -0.04 4.32 4.55 3k2bG1 THR 291 HG23 -0.25 0.04 0.12 -0.04 1.22 1.09 3k2bG1 ILE 292 H -0.14 0.63 0.34 -0.55 8.25 8.53 3k2bG1 ILE 292 HA -0.30 0.10 0.70 -0.75 4.18 3.93 3k2bG1 ILE 292 HB -0.20 -0.01 0.17 -0.04 1.89 1.80 3k2bG1 ILE 292 HG12 -0.41 0.06 -0.12 -0.04 1.49 0.98 3k2bG1 ILE 292 HG13 -0.99 -0.01 -0.07 -0.04 1.21 0.09 3k2bG1 ILE 292 HG23 -0.19 -0.02 -0.21 -0.04 0.93 0.47 3k2bG1 ILE 292 HD13 -1.10 -0.00 -0.16 -0.04 0.88 -0.43 3k2bG1 ASP 293 H -0.09 0.46 0.34 -0.55 8.40 8.57 3k2bG1 ASP 293 HA 0.10 0.33 0.74 -0.75 4.63 5.05 3k2bG1 ASP 293 HB2 0.28 -0.03 0.07 -0.04 2.71 2.99 3k2bG1 ASP 293 HB3 0.09 0.02 0.21 -0.04 2.70 2.99 3k2bG1 SER 294 H 0.06 0.54 0.27 -0.55 8.46 8.78 3k2bG1 SER 294 HA 0.08 -0.02 0.37 -0.75 4.49 4.16 3k2bG1 SER 294 HB2 0.06 -0.02 0.04 -0.04 3.95 3.99 3k2bG1 SER 294 HB3 0.07 0.05 0.09 -0.04 3.93 4.10 3k2bG1 SER 295 H 0.06 0.26 0.03 -0.55 8.46 8.27 3k2bG1 SER 295 HA 0.04 0.01 0.33 -0.75 4.49 4.12 3k2bG1 SER 295 HB2 0.05 -0.02 0.16 -0.04 3.95 4.10 3k2bG1 SER 295 HB3 0.05 -0.03 0.13 -0.04 3.93 4.03 3k2bG1 LEU 296 H 0.05 0.19 -1.15 -0.55 8.37 6.91 3k2bG1 LEU 296 HA 0.03 0.13 0.94 -0.75 4.35 4.69 3k2bG1 LEU 296 HB2 0.00 0.19 0.16 -0.04 1.64 1.95 3k2bG1 LEU 296 HB3 -0.01 -0.09 0.08 -0.04 1.64 1.59 3k2bG1 LEU 296 HG 0.12 -0.06 -0.24 -0.04 1.64 1.41 3k2bG1 LEU 296 HD13 0.14 -0.01 -0.04 -0.04 0.93 0.98 3k2bG1 LEU 296 HD23 0.10 0.05 -0.19 -0.04 0.89 0.81 3k2bG1 THR 297 H 0.04 0.35 0.34 -0.55 8.28 8.46 3k2bG1 THR 297 HA 0.02 0.06 0.50 -0.75 4.39 4.20 3k2bG1 THR 297 HB 0.11 -0.04 0.12 -0.04 4.32 4.47 3k2bG1 THR 297 HG23 0.06 0.15 0.10 -0.04 1.22 1.49 3k2bG1 MET 298 H 0.00 0.18 0.26 -0.55 8.47 8.36 3k2bG1 MET 298 HA 0.01 -0.01 0.58 -0.75 4.52 4.35 3k2bG1 MET 298 HB2 0.00 -0.05 0.04 -0.04 2.15 2.10 3k2bG1 MET 298 HB3 0.01 0.22 -0.19 -0.04 2.03 2.02 3k2bG1 MET 298 HG2 -0.01 0.11 0.12 -0.04 2.63 2.82 3k2bG1 MET 298 HG3 -0.01 -0.09 -0.13 -0.04 2.56 2.30 3k2bG1 MET 298 HE3 -0.01 0.02 0.06 -0.04 2.10 2.13 3k2bG1 VAL 299 H -0.00 0.15 0.15 -0.55 8.24 7.99 3k2bG1 VAL 299 HA -0.06 0.24 0.89 -0.75 4.13 4.44 3k2bG1 VAL 299 HB -0.03 -0.04 0.11 -0.04 2.12 2.13 3k2bG1 VAL 299 HG13 -0.16 0.02 -0.28 -0.04 0.97 0.50 3k2bG1 VAL 299 HG23 -0.09 -0.02 -0.34 -0.04 0.95 0.46 3k2bG1 MET 300 H -0.05 0.51 -0.03 -0.55 8.47 8.35 3k2bG1 MET 300 HA -0.02 0.13 0.88 -0.75 4.52 4.76 3k2bG1 MET 300 HB2 -0.03 0.32 0.21 -0.04 2.15 2.61 3k2bG1 MET 300 HB3 -0.02 -0.01 0.03 -0.04 2.03 1.99 3k2bG1 MET 300 HG2 -0.01 0.01 -0.04 -0.04 2.63 2.54 3k2bG1 MET 300 HG3 -0.01 -0.02 -0.03 -0.04 2.56 2.46 3k2bG1 MET 300 HE3 -0.00 0.02 -0.14 -0.04 2.10 1.93 3k2bG1 GLY 301 H -0.03 0.21 0.03 -0.55 8.43 8.09 3k2bG1 GLY 301 HA2 -0.03 0.04 0.30 -0.51 4.01 3.81 3k2bG1 GLY 301 HA3 -0.03 0.14 0.43 -0.51 4.01 4.04 3k2bG1 ASP 302 H -0.10 0.05 -0.24 -0.55 8.40 7.57 3k2bG1 ASP 302 HA -0.27 0.09 0.36 -0.75 4.63 4.06 3k2bG1 ASP 302 HB2 -0.11 0.20 0.13 -0.04 2.71 2.89 3k2bG1 ASP 302 HB3 -0.23 -0.07 0.09 -0.04 2.70 2.45 3k2bG1 ASP 303 H -0.09 0.59 -0.49 -0.55 8.40 7.87 3k2bG1 ASP 303 HA -0.12 0.18 0.92 -0.75 4.63 4.86 3k2bG1 ASP 303 HB2 -0.05 0.03 0.09 -0.04 2.71 2.73 3k2bG1 ASP 303 HB3 -0.05 0.16 0.10 -0.04 2.70 2.87 3k2bG1 MET 304 H -0.10 -0.01 -0.40 -0.55 8.47 7.41 3k2bG1 MET 304 HA -0.04 0.33 0.62 -0.75 4.52 4.68 3k2bG1 MET 304 HB2 -0.03 0.15 -0.04 -0.04 2.15 2.18 3k2bG1 MET 304 HB3 -0.04 0.09 0.11 -0.04 2.03 2.15 3k2bG1 MET 304 HG2 -0.02 -0.04 -0.21 -0.04 2.63 2.31 3k2bG1 MET 304 HG3 -0.02 0.03 -0.15 -0.04 2.56 2.38 3k2bG1 MET 304 HE3 -0.01 0.00 -0.06 -0.04 2.10 1.99 3k2bG1 VAL 305 H -0.06 0.21 0.18 -0.55 8.24 8.02 3k2bG1 VAL 305 HA -0.05 0.26 0.76 -0.75 4.13 4.35 3k2bG1 VAL 305 HB -0.03 -0.04 0.04 -0.04 2.12 2.04 3k2bG1 VAL 305 HG13 -0.04 -0.00 -0.10 -0.04 0.97 0.78 3k2bG1 VAL 305 HG23 -0.21 -0.00 -0.03 -0.04 0.95 0.66 3k2bG1 LYS 306 H -0.01 0.39 0.24 -0.55 8.42 8.48 3k2bG1 LYS 306 HA 0.01 0.22 1.09 -0.75 4.32 4.88 3k2bG1 LYS 306 HB2 -0.01 -0.02 -0.01 -0.04 1.87 1.79 3k2bG1 LYS 306 HB3 -0.01 -0.02 0.17 -0.04 1.79 1.88 3k2bG1 LYS 306 HG2 -0.03 -0.02 -0.13 -0.04 1.46 1.25 3k2bG1 LYS 306 HG3 -0.02 0.20 -0.11 -0.04 1.46 1.49 3k2bG1 LYS 306 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.57 3k2bG1 LYS 306 HD3 -0.02 -0.02 -0.08 -0.04 1.68 1.52 3k2bG1 LYS 306 HE2 -0.01 0.04 -0.19 -0.04 2.99 2.78 3k2bG1 LYS 306 HE3 -0.01 -0.02 -0.10 -0.04 2.99 2.82 3k2bG1 VAL 307 H 0.03 0.14 0.03 -0.55 8.24 7.90 3k2bG1 VAL 307 HA -0.06 0.09 0.70 -0.75 4.13 4.10 3k2bG1 VAL 307 HB -0.09 -0.03 -0.01 -0.04 2.12 1.95 3k2bG1 VAL 307 HG13 -0.79 -0.01 -0.24 -0.04 0.97 -0.11 3k2bG1 VAL 307 HG23 0.20 -0.01 -0.11 -0.04 0.95 0.99 3k2bG1 ILE 308 H -0.18 0.20 0.11 -0.55 8.25 7.82 3k2bG1 ILE 308 HA -0.22 0.29 0.97 -0.75 4.18 4.47 3k2bG1 ILE 308 HB -0.13 -0.01 0.12 -0.04 1.89 1.84 3k2bG1 ILE 308 HG12 -0.09 0.05 -0.35 -0.04 1.49 1.06 3k2bG1 ILE 308 HG13 -0.10 -0.00 -0.04 -0.04 1.21 1.03 3k2bG1 ILE 308 HG23 -0.36 -0.00 -0.14 -0.04 0.93 0.39 3k2bG1 ILE 308 HD13 -0.15 0.02 0.12 -0.04 0.88 0.83 3k2bG1 ALA 309 H -0.28 0.32 0.21 -0.55 8.40 8.11 3k2bG1 ALA 309 HA -0.26 0.29 1.16 -0.75 4.34 4.78 3k2bG1 ALA 309 HB3 -0.27 -0.04 -0.12 -0.04 1.41 0.94 3k2bG1 TRP 310 H -0.04 0.49 0.38 -0.55 7.97 8.26 3k2bG1 TRP 310 HA -0.05 0.21 1.12 -0.75 4.62 5.15 3k2bG1 TRP 310 HB2 -1.07 -0.01 0.10 -0.04 3.23 2.20 3k2bG1 TRP 310 HB3 -0.47 0.01 0.09 -0.04 3.23 2.81 3k2bG1 TRP 310 HD1 -0.57 0.02 -0.04 -0.04 7.22 6.59 3k2bG1 TRP 310 HE1 0.02 0.06 -0.13 -0.04 10.20 10.11 3k2bG1 TRP 310 HE3 -0.06 0.12 -0.10 -0.04 7.59 7.52 3k2bG1 TRP 310 HZ2 0.07 0.07 -0.08 -0.04 7.44 7.47 3k2bG1 TRP 310 HZ3 0.01 0.01 -0.11 -0.04 7.13 7.00 3k2bG1 TRP 310 HH2 0.04 -0.01 -0.03 -0.04 7.19 7.15 3k2bG1 TYR 311 H 0.17 0.69 0.40 -0.55 8.29 9.00 3k2bG1 TYR 311 HA 0.13 0.24 0.56 -0.75 4.56 4.75 3k2bG1 TYR 311 HB2 0.11 0.03 -0.01 -0.04 3.06 3.16 3k2bG1 TYR 311 HB3 0.09 0.26 -0.06 -0.04 2.98 3.23 3k2bG1 TYR 311 HD2 0.05 0.05 -0.32 -0.04 7.15 6.89 3k2bG1 TYR 311 HE2 0.04 -0.12 -0.36 -0.04 6.85 6.37 3k2bG1 ASP 312 H 0.24 0.39 0.08 -0.55 8.40 8.57 3k2bG1 ASP 312 HA 0.02 0.04 0.83 -0.75 4.63 4.77 3k2bG1 ASP 312 HB2 0.20 0.34 0.13 -0.04 2.71 3.34 3k2bG1 ASP 312 HB3 0.27 -0.11 0.24 -0.04 2.70 3.06 3k2bG1 ASN 313 H -0.17 0.15 0.11 -0.55 8.53 8.08 3k2bG1 ASN 313 HA 0.22 0.10 0.29 -0.75 4.76 4.61 3k2bG1 ASN 313 HB2 0.11 0.04 -0.01 -0.04 2.88 2.97 3k2bG1 ASN 313 HB3 -0.09 0.00 0.05 -0.04 2.79 2.72 3k2bG1 ASN 313 HD21 -0.05 0.17 0.03 -0.04 7.03 7.14 3k2bG1 ASN 313 HD22 0.11 0.02 -0.05 -0.04 7.74 7.78 3k2bG1 GLU 314 H 0.10 -0.01 -0.20 -0.55 8.60 7.94 3k2bG1 GLU 314 HA 0.15 0.14 0.51 -0.75 4.29 4.33 3k2bG1 GLU 314 HB2 0.14 -0.11 0.14 -0.04 2.09 2.22 3k2bG1 GLU 314 HB3 0.17 0.11 -0.03 -0.04 1.99 2.21 3k2bG1 GLU 314 HG2 0.10 -0.02 -0.03 -0.04 2.34 2.34 3k2bG1 GLU 314 HG3 0.08 -0.01 0.02 -0.04 2.34 2.39 3k2bG1 TRP 315 H 0.33 0.02 -0.02 -0.55 7.97 7.76 3k2bG1 TRP 315 HA 0.04 0.11 0.30 -0.75 4.62 4.32 3k2bG1 TRP 315 HB2 0.01 -0.02 0.08 -0.04 3.23 3.26 3k2bG1 TRP 315 HB3 0.03 -0.10 0.06 -0.04 3.23 3.18 3k2bG1 TRP 315 HD1 0.01 0.03 -0.70 -0.04 7.22 6.52 3k2bG1 TRP 315 HE1 -0.03 0.14 -0.17 -0.04 10.20 10.09 3k2bG1 TRP 315 HE3 -0.02 -0.13 -0.03 -0.04 7.59 7.37 3k2bG1 TRP 315 HZ2 -0.03 0.11 -0.06 -0.04 7.44 7.41 3k2bG1 TRP 315 HZ3 -0.09 0.00 -0.06 -0.04 7.13 6.94 3k2bG1 TRP 315 HH2 -0.03 0.14 -0.34 -0.04 7.19 6.91 3k2bG1 GLY 316 H 0.28 -0.03 -0.12 -0.55 8.43 8.01 3k2bG1 GLY 316 HA2 0.11 0.17 0.25 -0.51 4.01 4.03 3k2bG1 GLY 316 HA3 0.21 0.02 0.27 -0.51 4.01 4.00 3k2bG1 TYR 317 H 0.27 0.24 -0.25 -0.55 8.29 8.00 3k2bG1 TYR 317 HA 0.04 0.03 0.29 -0.75 4.56 4.17 3k2bG1 TYR 317 HB2 0.12 -0.14 0.14 -0.04 3.06 3.14 3k2bG1 TYR 317 HB3 0.07 0.24 0.15 -0.04 2.98 3.40 3k2bG1 TYR 317 HD2 0.05 -0.00 -0.11 -0.04 7.15 7.04 3k2bG1 TYR 317 HE2 0.02 0.13 -0.20 -0.04 6.85 6.77 3k2bG1 SER 318 H 0.05 0.52 -0.27 -0.55 8.46 8.22 3k2bG1 SER 318 HA -0.06 -0.06 0.35 -0.75 4.49 3.97 3k2bG1 SER 318 HB2 -0.37 0.12 0.02 -0.04 3.95 3.68 3k2bG1 SER 318 HB3 -0.12 -0.05 -0.21 -0.04 3.93 3.51 3k2bG1 GLN 319 H -0.39 0.61 -0.12 -0.55 8.47 8.02 3k2bG1 GLN 319 HA -0.32 0.01 0.37 -0.75 4.36 3.66 3k2bG1 GLN 319 HB2 -0.26 0.20 0.11 -0.04 2.15 2.16 3k2bG1 GLN 319 HB3 -0.22 -0.00 0.03 -0.04 2.02 1.79 3k2bG1 GLN 319 HG2 -1.05 -0.04 0.01 -0.04 2.40 1.28 3k2bG1 GLN 319 HG3 -0.41 -0.03 -0.05 -0.04 2.39 1.86 3k2bG1 GLN 319 HE21 -0.02 0.12 -0.00 -0.04 6.97 7.03 3k2bG1 GLN 319 HE22 0.07 -0.05 -0.02 -0.04 7.69 7.65 3k2bG1 ARG 320 H -0.20 0.41 -0.39 -0.55 8.46 7.72 3k2bG1 ARG 320 HA -0.10 0.03 0.48 -0.75 4.34 4.00 3k2bG1 ARG 320 HB2 -0.29 0.29 0.21 -0.04 1.90 2.06 3k2bG1 ARG 320 HB3 -0.15 -0.11 0.02 -0.04 1.80 1.52 3k2bG1 ARG 320 HG2 -0.05 0.13 -0.01 -0.04 1.67 1.70 3k2bG1 ARG 320 HG3 -0.01 -0.04 0.02 -0.04 1.67 1.59 3k2bG1 ARG 320 HD2 0.01 0.05 0.03 -0.04 3.22 3.26 3k2bG1 ARG 320 HD3 -0.03 -0.12 0.05 -0.04 3.22 3.08 3k2bG1 VAL 321 H -0.29 0.44 -0.03 -0.55 8.24 7.81 3k2bG1 VAL 321 HA -0.14 -0.01 0.33 -0.75 4.13 3.55 3k2bG1 VAL 321 HB 0.11 0.17 0.09 -0.04 2.12 2.44 3k2bG1 VAL 321 HG13 -0.12 -0.02 -0.17 -0.04 0.97 0.62 3k2bG1 VAL 321 HG23 -0.35 0.01 -0.04 -0.04 0.95 0.53 3k2bG1 VAL 322 H -0.02 0.44 -0.36 -0.55 8.24 7.75 3k2bG1 VAL 322 HA 0.17 -0.01 0.29 -0.75 4.13 3.84 3k2bG1 VAL 322 HB -0.10 0.20 0.09 -0.04 2.12 2.27 3k2bG1 VAL 322 HG13 -0.03 -0.01 -0.11 -0.04 0.97 0.79 3k2bG1 VAL 322 HG23 -0.33 0.07 -0.02 -0.04 0.95 0.63 3k2bG1 ASP 323 H -0.06 0.58 -0.03 -0.55 8.40 8.34 3k2bG1 ASP 323 HA -0.02 0.03 0.36 -0.75 4.63 4.24 3k2bG1 ASP 323 HB2 -0.05 0.07 0.23 -0.04 2.71 2.92 3k2bG1 ASP 323 HB3 -0.03 -0.08 -0.01 -0.04 2.70 2.55 3k2bG1 LEU 324 H -0.05 0.78 -0.10 -0.55 8.37 8.45 3k2bG1 LEU 324 HA -0.07 -0.05 0.32 -0.75 4.35 3.80 3k2bG1 LEU 324 HB2 -0.06 -0.06 0.06 -0.04 1.64 1.54 3k2bG1 LEU 324 HB3 -0.07 0.12 0.09 -0.04 1.64 1.75 3k2bG1 LEU 324 HG -0.13 0.02 -0.30 -0.04 1.64 1.18 3k2bG1 LEU 324 HD13 -0.17 -0.03 -0.03 -0.04 0.93 0.66 3k2bG1 LEU 324 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.70 3k2bG1 ALA 325 H -0.01 0.67 -0.24 -0.55 8.40 8.27 3k2bG1 ALA 325 HA -0.05 -0.06 0.29 -0.75 4.34 3.76 3k2bG1 ALA 325 HB3 0.05 0.01 0.02 -0.04 1.41 1.45 3k2bG1 ASP 326 H 0.00 0.64 -0.21 -0.55 8.40 8.29 3k2bG1 ASP 326 HA 0.02 -0.02 0.38 -0.75 4.63 4.26 3k2bG1 ASP 326 HB2 0.00 0.19 0.20 -0.04 2.71 3.06 3k2bG1 ASP 326 HB3 0.01 -0.06 0.02 -0.04 2.70 2.63 3k2bG1 ILE 327 H -0.02 0.54 -0.11 -0.55 8.25 8.11 3k2bG1 ILE 327 HA 0.04 -0.01 0.28 -0.75 4.18 3.73 3k2bG1 ILE 327 HB -0.10 0.23 0.22 -0.04 1.89 2.19 3k2bG1 ILE 327 HG12 0.01 -0.02 -0.04 -0.04 1.49 1.41 3k2bG1 ILE 327 HG13 -0.01 0.11 -0.02 -0.04 1.21 1.24 3k2bG1 ILE 327 HG23 0.04 0.01 -0.17 -0.04 0.93 0.78 3k2bG1 ILE 327 HD13 -0.03 -0.01 -0.12 -0.04 0.88 0.67 3k2bG1 VAL 328 H -0.16 0.44 -0.07 -0.55 8.24 7.89 3k2bG1 VAL 328 HA 0.21 0.05 0.21 -0.75 4.13 3.85 3k2bG1 VAL 328 HB -0.03 0.06 -0.02 -0.04 2.12 2.09 3k2bG1 VAL 328 HG13 0.29 -0.01 -0.16 -0.04 0.97 1.05 3k2bG1 VAL 328 HG23 -0.87 0.01 -0.07 -0.04 0.95 -0.03 3k2bG1 ALA 329 H 0.06 0.47 -0.57 -0.55 8.40 7.82 3k2bG1 ALA 329 HA 0.07 -0.05 0.35 -0.75 4.34 3.95 3k2bG1 ALA 329 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 3k2bG1 ASN 330 H 0.07 1.01 0.15 -0.55 8.53 9.21 3k2bG1 ASN 330 HA 0.07 0.02 0.55 -0.75 4.76 4.64 3k2bG1 ASN 330 HB2 0.05 0.07 0.07 -0.04 2.88 3.03 3k2bG1 ASN 330 HB3 0.05 -0.11 0.13 -0.04 2.79 2.82 3k2bG1 ASN 330 HD21 0.01 -0.03 0.01 -0.04 7.03 6.98 3k2bG1 ASN 330 HD22 0.02 -0.04 -0.04 -0.04 7.74 7.64 3k2bG1 ASN 331 H 0.22 0.40 -0.80 -0.55 8.53 7.81 3k2bG1 ASN 331 HA 0.13 0.05 0.70 -0.75 4.76 4.89 3k2bG1 ASN 331 HB2 0.33 0.04 -0.08 -0.04 2.88 3.12 3k2bG1 ASN 331 HB3 0.16 -0.13 0.09 -0.04 2.79 2.86 3k2bG1 ASN 331 HD21 0.06 -0.08 -0.05 -0.04 7.03 6.93 3k2bG1 ASN 331 HD22 0.08 -0.02 0.05 -0.04 7.74 7.81 3k2bG1 TRP 332 H 0.25 0.24 -0.15 -0.55 7.97 7.77 3k2bG1 TRP 332 HA 0.03 0.07 0.95 -0.75 4.62 4.92 3k2bG1 TRP 332 HB2 0.03 0.30 0.06 -0.04 3.23 3.57 3k2bG1 TRP 332 HB3 -0.00 0.01 0.13 -0.04 3.23 3.33 3k2bG1 TRP 332 HD1 -0.03 0.02 -0.28 -0.04 7.22 6.89 3k2bG1 TRP 332 HE1 -0.01 -0.02 -0.03 -0.04 10.20 10.09 3k2bG1 TRP 332 HE3 0.03 0.23 -0.18 -0.04 7.59 7.63 3k2bG1 TRP 332 HZ2 -0.01 -0.01 -0.00 -0.04 7.44 7.38 3k2bG1 TRP 332 HZ3 -0.02 -0.06 -0.21 -0.04 7.13 6.81 3k2bG1 TRP 332 HH2 -0.02 0.03 -0.07 -0.04 7.19 7.09 3k2bG1 LYS 333 H -0.57 0.16 0.05 -0.55 8.42 7.50 3k2bG1 LYS 333 HA -0.10 0.25 0.75 -0.75 4.32 4.47 3k2bG1 LYS 333 HB2 -1.14 -0.00 -0.05 -0.04 1.87 0.64 3k2bG1 LYS 333 HB3 -0.47 0.00 0.04 -0.04 1.79 1.31 3k2bG1 LYS 333 HG2 -0.38 -0.04 -0.03 -0.04 1.46 0.96 3k2bG1 LYS 333 HG3 -0.18 -0.01 0.02 -0.04 1.46 1.25 3k2bG1 LYS 333 HD2 -0.14 0.21 -0.22 -0.04 1.69 1.50 3k2bG1 LYS 333 HD3 -0.23 -0.03 -0.15 -0.04 1.68 1.23 3k2bG1 LYS 333 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 3k2bG1 LYS 333 HE3 -0.05 -0.06 -0.02 -0.04 2.99 2.82