============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 5 0.840 11.946 90.342 -18.237 -99.200 -91.000 PHE 8 1.000 14.136 85.482 -12.091 -99.200 -91.000 PHE 16 1.000 8.371 100.065 -5.531 -99.200 -91.000 PHE 28 1.000 13.197 88.995 -7.526 -99.200 -91.000 PHE 36 1.000 22.851 80.867 -7.714 -99.200 -91.000 HIS 73 0.900 19.492 84.078 -3.568 -99.200 -91.000 TYR 77 0.840 18.871 77.919 -5.693 -99.200 -91.000 HIS 87 0.900 17.398 88.921 1.688 -99.200 -91.000 HIS 89 0.900 15.924 93.446 2.884 -99.200 -91.000 PHE 98 1.000 15.765 94.373 15.260 -99.200 -91.000 HIS 99 0.900 10.610 93.434 20.228 -99.200 -91.000 HIS 112 0.900 -1.503 74.761 3.880 -99.200 -91.000 TYR 113 0.840 -0.069 78.035 1.545 -99.200 -91.000 HIS 142 0.900 12.494 75.504 10.387 -99.200 -91.000 HIS 150 0.900 20.108 91.038 5.535 -99.200 -91.000 PHE 153 1.000 18.021 84.756 2.093 -99.200 -91.000 TYR 169 0.840 4.622 87.683 -4.785 -99.200 -91.000 TYR 184 0.840 -2.033 95.330 11.558 -99.200 -91.000 HIS 185 0.900 -3.737 88.330 19.053 -99.200 -91.000 TRP 188 1.040 -8.614 94.457 19.913 -99.200 -91.000 TRP6 188 1.020 -9.986 96.029 18.801 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fk5B1 ARG 2 HA 0.05 -0.01 0.21 -0.75 4.34 3.84 2fk5B1 ARG 2 HB2 0.01 0.03 0.08 -0.04 1.90 1.98 2fk5B1 ARG 2 HB3 0.01 0.03 -0.07 -0.04 1.80 1.73 2fk5B1 ARG 2 HG2 0.01 -0.00 0.03 -0.04 1.67 1.67 2fk5B1 ARG 2 HG3 -0.01 0.06 0.01 -0.04 1.67 1.69 2fk5B1 ARG 2 HD2 -0.03 0.07 -0.03 -0.04 3.22 3.19 2fk5B1 ARG 2 HD3 -0.03 0.03 -0.05 -0.04 3.22 3.12 2fk5B1 ALA 3 H 0.04 0.24 0.11 -0.55 8.40 8.24 2fk5B1 ALA 3 HA 0.12 0.08 0.39 -0.75 4.34 4.18 2fk5B1 ALA 3 HB3 0.05 0.02 0.11 -0.04 1.41 1.55 2fk5B1 ARG 4 H 0.06 0.17 -0.08 -0.55 8.46 8.06 2fk5B1 ARG 4 HA 0.05 0.10 0.40 -0.75 4.34 4.13 2fk5B1 ARG 4 HB2 0.05 0.01 0.06 -0.04 1.90 1.97 2fk5B1 ARG 4 HB3 0.04 0.01 -0.04 -0.04 1.80 1.76 2fk5B1 ARG 4 HG2 0.03 0.04 0.03 -0.04 1.67 1.72 2fk5B1 ARG 4 HG3 0.03 -0.01 0.05 -0.04 1.67 1.70 2fk5B1 ARG 4 HD2 0.02 0.04 0.01 -0.04 3.22 3.24 2fk5B1 ARG 4 HD3 0.03 0.02 0.01 -0.04 3.22 3.23 2fk5B1 LEU 5 H 0.09 0.16 -0.34 -0.55 8.37 7.73 2fk5B1 LEU 5 HA 0.14 -0.01 0.39 -0.75 4.35 4.11 2fk5B1 LEU 5 HB2 0.12 -0.03 0.07 -0.04 1.64 1.75 2fk5B1 LEU 5 HB3 0.13 0.15 0.09 -0.04 1.64 1.97 2fk5B1 LEU 5 HG 0.35 0.03 -0.23 -0.04 1.64 1.74 2fk5B1 LEU 5 HD13 0.28 -0.03 -0.06 -0.04 0.93 1.07 2fk5B1 LEU 5 HD23 0.16 0.01 -0.03 -0.04 0.89 0.99 2fk5B1 TYR 6 H 0.21 0.75 -0.08 -0.55 8.29 8.63 2fk5B1 TYR 6 HA 0.06 0.02 0.36 -0.75 4.56 4.24 2fk5B1 TYR 6 HB2 -0.02 -0.02 0.05 -0.04 3.06 3.03 2fk5B1 TYR 6 HB3 0.02 0.14 0.14 -0.04 2.98 3.24 2fk5B1 TYR 6 HD2 -0.01 0.02 -0.10 -0.04 7.15 7.02 2fk5B1 TYR 6 HE2 0.01 -0.01 -0.36 -0.04 6.85 6.46 2fk5B1 ALA 7 H 0.06 0.45 -0.34 -0.55 8.40 8.02 2fk5B1 ALA 7 HA -0.32 0.01 0.38 -0.75 4.34 3.65 2fk5B1 ALA 7 HB3 -0.02 0.07 0.12 -0.04 1.41 1.53 2fk5B1 ALA 8 H 0.03 0.44 -0.16 -0.55 8.40 8.16 2fk5B1 ALA 8 HA -0.09 0.00 0.42 -0.75 4.34 3.92 2fk5B1 ALA 8 HB3 -0.01 0.03 0.12 -0.04 1.41 1.50 2fk5B1 PHE 9 H 0.33 0.49 -0.17 -0.55 8.34 8.44 2fk5B1 PHE 9 HA 0.06 -0.00 0.36 -0.75 4.62 4.28 2fk5B1 PHE 9 HB2 0.09 0.12 0.12 -0.04 3.15 3.43 2fk5B1 PHE 9 HB3 0.25 -0.02 -0.11 -0.04 3.06 3.14 2fk5B1 PHE 9 HD2 0.23 0.15 -0.07 -0.04 7.28 7.55 2fk5B1 PHE 9 HE2 0.15 0.05 -0.12 -0.04 7.38 7.42 2fk5B1 PHE 9 HZ 0.16 0.05 -0.03 -0.04 7.32 7.47 2fk5B1 ARG 10 H -0.16 0.73 -0.08 -0.55 8.46 8.40 2fk5B1 ARG 10 HA 0.01 0.01 0.37 -0.75 4.34 3.97 2fk5B1 ARG 10 HB2 -0.71 0.03 0.04 -0.04 1.90 1.22 2fk5B1 ARG 10 HB3 -0.34 0.05 0.14 -0.04 1.80 1.60 2fk5B1 ARG 10 HG2 -0.09 -0.03 -0.19 -0.04 1.67 1.32 2fk5B1 ARG 10 HG3 -0.05 0.03 0.01 -0.04 1.67 1.62 2fk5B1 ARG 10 HD2 -0.11 0.01 -0.02 -0.04 3.22 3.06 2fk5B1 ARG 10 HD3 -0.13 -0.04 -0.03 -0.04 3.22 2.97 2fk5B1 GLN 11 H -0.14 0.68 -0.17 -0.55 8.47 8.30 2fk5B1 GLN 11 HA -0.12 0.00 0.39 -0.75 4.36 3.88 2fk5B1 GLN 11 HB2 -0.13 0.14 0.13 -0.04 2.15 2.25 2fk5B1 GLN 11 HB3 -0.19 0.06 0.13 -0.04 2.02 1.97 2fk5B1 GLN 11 HG2 -0.22 -0.04 -0.11 -0.04 2.40 1.99 2fk5B1 GLN 11 HG3 -0.12 -0.02 0.03 -0.04 2.39 2.24 2fk5B1 GLN 11 HE21 -0.06 -0.04 -0.04 -0.04 6.97 6.79 2fk5B1 GLN 11 HE22 -0.07 0.01 -0.02 -0.04 7.69 7.56 2fk5B1 VAL 12 H -0.26 0.65 -0.11 -0.55 8.24 7.97 2fk5B1 VAL 12 HA -0.66 -0.03 0.38 -0.75 4.13 3.06 2fk5B1 VAL 12 HB -0.65 0.10 0.12 -0.04 2.12 1.64 2fk5B1 VAL 12 HG13 -0.62 -0.02 -0.13 -0.04 0.97 0.15 2fk5B1 VAL 12 HG23 -0.41 0.03 -0.04 -0.04 0.95 0.50 2fk5B1 GLY 13 H -0.09 0.66 -0.16 -0.55 8.43 8.29 2fk5B1 GLY 13 HA2 0.18 -0.08 0.30 -0.51 4.01 3.90 2fk5B1 GLY 13 HA3 0.25 0.34 0.26 -0.51 4.01 4.34 2fk5B1 GLU 14 H -0.02 0.68 -0.06 -0.55 8.60 8.65 2fk5B1 GLU 14 HA 0.08 -0.01 0.46 -0.75 4.29 4.06 2fk5B1 GLU 14 HB2 -0.04 0.05 0.19 -0.04 2.09 2.25 2fk5B1 GLU 14 HB3 0.02 -0.10 0.04 -0.04 1.99 1.91 2fk5B1 GLU 14 HG2 0.00 0.23 0.18 -0.04 2.34 2.71 2fk5B1 GLU 14 HG3 -0.02 0.27 0.10 -0.04 2.34 2.64 2fk5B1 ASP 15 H -0.12 0.74 -0.06 -0.55 8.40 8.42 2fk5B1 ASP 15 HA 0.02 0.03 0.54 -0.75 4.63 4.46 2fk5B1 ASP 15 HB2 -0.44 0.07 0.09 -0.04 2.71 2.39 2fk5B1 ASP 15 HB3 0.03 -0.06 -0.00 -0.04 2.70 2.62 2fk5B1 LEU 16 H 0.02 0.71 -0.12 -0.55 8.37 8.43 2fk5B1 LEU 16 HA 0.15 -0.01 0.40 -0.75 4.35 4.13 2fk5B1 LEU 16 HB2 0.11 0.16 0.10 -0.04 1.64 1.97 2fk5B1 LEU 16 HB3 0.11 -0.11 -0.13 -0.04 1.64 1.46 2fk5B1 LEU 16 HG 0.14 0.11 0.03 -0.04 1.64 1.89 2fk5B1 LEU 16 HD13 -0.04 -0.02 -0.16 -0.04 0.93 0.67 2fk5B1 LEU 16 HD23 0.09 -0.03 -0.07 -0.04 0.89 0.84 2fk5B1 PHE 17 H 0.23 0.60 -0.17 -0.55 8.34 8.44 2fk5B1 PHE 17 HA 0.04 0.21 0.50 -0.75 4.62 4.61 2fk5B1 PHE 17 HB2 0.05 -0.07 0.04 -0.04 3.15 3.13 2fk5B1 PHE 17 HB3 0.03 0.15 0.19 -0.04 3.06 3.38 2fk5B1 PHE 17 HD2 0.03 0.03 -0.03 -0.04 7.28 7.26 2fk5B1 PHE 17 HE2 0.02 -0.07 0.04 -0.04 7.38 7.33 2fk5B1 PHE 17 HZ 0.02 -0.01 0.01 -0.04 7.32 7.30 2fk5B1 ALA 18 H 0.17 0.62 -0.03 -0.55 8.40 8.61 2fk5B1 ALA 18 HA -0.11 -0.01 0.38 -0.75 4.34 3.86 2fk5B1 ALA 18 HB3 0.05 0.01 0.14 -0.04 1.41 1.57 2fk5B1 GLN 19 H 0.00 0.39 -0.43 -0.55 8.47 7.89 2fk5B1 GLN 19 HA -0.04 0.11 0.67 -0.75 4.36 4.35 2fk5B1 GLN 19 HB2 0.02 0.04 0.09 -0.04 2.15 2.26 2fk5B1 GLN 19 HB3 -0.01 -0.09 0.15 -0.04 2.02 2.03 2fk5B1 GLN 19 HG2 0.01 -0.04 -0.00 -0.04 2.40 2.33 2fk5B1 GLN 19 HG3 0.04 0.06 -0.00 -0.04 2.39 2.45 2fk5B1 GLN 19 HE21 0.02 -0.05 -0.03 -0.04 6.97 6.87 2fk5B1 GLN 19 HE22 0.01 -0.01 -0.01 -0.04 7.69 7.65 2fk5B1 GLY 20 H -0.17 0.65 -0.35 -0.55 8.43 8.02 2fk5B1 GLY 20 HA2 -0.17 0.09 0.36 -0.51 4.01 3.79 2fk5B1 GLY 20 HA3 -0.09 0.00 0.45 -0.51 4.01 3.87 2fk5B1 LEU 21 H -0.01 0.55 -0.06 -0.55 8.37 8.30 2fk5B1 LEU 21 HA -0.01 0.03 0.52 -0.75 4.35 4.13 2fk5B1 LEU 21 HB2 0.02 0.06 0.03 -0.04 1.64 1.71 2fk5B1 LEU 21 HB3 -0.03 -0.13 -0.03 -0.04 1.64 1.42 2fk5B1 LEU 21 HG -0.03 0.11 -0.13 -0.04 1.64 1.56 2fk5B1 LEU 21 HD13 -0.08 -0.02 -0.12 -0.04 0.93 0.68 2fk5B1 LEU 21 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.73 2fk5B1 ILE 22 H 0.04 0.38 -0.12 -0.55 8.25 8.01 2fk5B1 ILE 22 HA 0.10 0.12 0.48 -0.75 4.18 4.12 2fk5B1 ILE 22 HB 0.15 0.24 -0.01 -0.04 1.89 2.23 2fk5B1 ILE 22 HG12 0.17 -0.14 -0.46 -0.04 1.49 1.03 2fk5B1 ILE 22 HG13 0.28 -0.03 -0.44 -0.04 1.21 0.97 2fk5B1 ILE 22 HG23 0.11 -0.05 -0.25 -0.04 0.93 0.70 2fk5B1 ILE 22 HD13 0.24 0.04 -0.14 -0.04 0.88 0.98 2fk5B1 SER 23 H 0.10 0.29 0.14 -0.55 8.46 8.44 2fk5B1 SER 23 HA 0.48 0.09 0.58 -0.75 4.49 4.89 2fk5B1 SER 23 HB2 0.07 -0.03 -0.02 -0.04 3.95 3.93 2fk5B1 SER 23 HB3 0.17 -0.02 0.08 -0.04 3.93 4.12 2fk5B1 ALA 24 H 0.20 0.15 0.13 -0.55 8.40 8.34 2fk5B1 ALA 24 HA 0.03 0.04 0.39 -0.75 4.34 4.04 2fk5B1 ALA 24 HB3 0.04 0.08 0.00 -0.04 1.41 1.49 2fk5B1 THR 25 H 0.02 0.09 0.25 -0.55 8.28 8.09 2fk5B1 THR 25 HA 0.02 0.37 1.16 -0.75 4.39 5.18 2fk5B1 THR 25 HB 0.02 -0.07 0.12 -0.04 4.32 4.35 2fk5B1 THR 25 HG23 0.01 0.01 -0.23 -0.04 1.22 0.97 2fk5B1 ALA 26 H 0.02 0.40 0.13 -0.55 8.40 8.40 2fk5B1 ALA 26 HA 0.01 0.01 0.53 -0.75 4.34 4.13 2fk5B1 ALA 26 HB3 -0.22 -0.03 0.15 -0.04 1.41 1.27 2fk5B1 GLY 27 H 0.26 0.01 0.14 -0.55 8.43 8.31 2fk5B1 GLY 27 HA2 -0.09 0.01 0.30 -0.51 4.01 3.72 2fk5B1 GLY 27 HA3 0.08 0.14 0.60 -0.51 4.01 4.32 2fk5B1 ASN 28 H 0.13 0.62 0.39 -0.55 8.53 9.12 2fk5B1 ASN 28 HA -0.22 0.10 0.51 -0.75 4.76 4.40 2fk5B1 ASN 28 HB2 -0.01 -0.02 0.06 -0.04 2.88 2.87 2fk5B1 ASN 28 HB3 0.02 0.17 0.10 -0.04 2.79 3.05 2fk5B1 ASN 28 HD21 0.41 -0.03 -0.14 -0.04 7.03 7.24 2fk5B1 ASN 28 HD22 0.20 0.22 -0.31 -0.04 7.74 7.80 2fk5B1 PHE 29 H -0.40 0.20 0.32 -0.55 8.34 7.91 2fk5B1 PHE 29 HA 0.30 0.24 0.84 -0.75 4.62 5.24 2fk5B1 PHE 29 HB2 -0.01 0.05 0.14 -0.04 3.15 3.28 2fk5B1 PHE 29 HB3 0.07 -0.01 0.25 -0.04 3.06 3.33 2fk5B1 PHE 29 HD2 -0.05 0.04 -0.23 -0.04 7.28 7.00 2fk5B1 PHE 29 HE2 0.17 0.02 -0.08 -0.04 7.38 7.45 2fk5B1 PHE 29 HZ 0.08 0.08 -0.00 -0.04 7.32 7.44 2fk5B1 SER 30 H 0.39 0.62 0.45 -0.55 8.46 9.38 2fk5B1 SER 30 HA 0.55 0.25 0.88 -0.75 4.49 5.42 2fk5B1 SER 30 HB2 0.59 0.07 -0.06 -0.04 3.95 4.51 2fk5B1 SER 30 HB3 0.34 -0.09 -0.23 -0.04 3.93 3.91 2fk5B1 VAL 31 H 0.43 0.45 0.36 -0.55 8.24 8.92 2fk5B1 VAL 31 HA 0.21 0.17 1.02 -0.75 4.13 4.78 2fk5B1 VAL 31 HB 0.13 0.14 0.16 -0.04 2.12 2.51 2fk5B1 VAL 31 HG13 0.01 -0.04 -0.12 -0.04 0.97 0.78 2fk5B1 VAL 31 HG23 0.39 -0.03 -0.02 -0.04 0.95 1.25 2fk5B1 ARG 32 H 0.01 0.73 0.23 -0.55 8.46 8.88 2fk5B1 ARG 32 HA -0.42 0.10 0.67 -0.75 4.34 3.93 2fk5B1 ARG 32 HB2 -0.30 0.05 0.12 -0.04 1.90 1.73 2fk5B1 ARG 32 HB3 -0.05 -0.04 0.24 -0.04 1.80 1.92 2fk5B1 ARG 32 HG2 -0.04 -0.00 0.02 -0.04 1.67 1.60 2fk5B1 ARG 32 HG3 -0.08 0.06 -0.07 -0.04 1.67 1.54 2fk5B1 ARG 32 HD2 -0.27 0.11 0.11 -0.04 3.22 3.13 2fk5B1 ARG 32 HD3 -0.33 0.01 0.03 -0.04 3.22 2.89 2fk5B1 THR 33 H -0.05 0.90 0.31 -0.55 8.28 8.89 2fk5B1 THR 33 HA 0.01 0.20 0.88 -0.75 4.39 4.73 2fk5B1 THR 33 HB 0.01 -0.12 0.07 -0.04 4.32 4.23 2fk5B1 THR 33 HG23 0.05 0.04 -0.19 -0.04 1.22 1.07 2fk5B1 LYS 34 H 0.01 0.10 0.12 -0.55 8.42 8.09 2fk5B1 LYS 34 HA 0.00 0.15 0.41 -0.75 4.32 4.12 2fk5B1 LYS 34 HB2 0.00 -0.09 0.15 -0.04 1.87 1.89 2fk5B1 LYS 34 HB3 0.00 0.05 0.03 -0.04 1.79 1.84 2fk5B1 LYS 34 HG2 0.01 0.07 0.06 -0.04 1.46 1.56 2fk5B1 LYS 34 HG3 0.01 -0.04 0.10 -0.04 1.46 1.49 2fk5B1 LYS 34 HD2 0.00 -0.03 0.04 -0.04 1.69 1.67 2fk5B1 LYS 34 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 2fk5B1 LYS 34 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 2fk5B1 LYS 34 HE3 0.01 -0.02 0.03 -0.04 2.99 2.97 2fk5B1 GLY 35 H -0.01 -0.02 -0.17 -0.55 8.43 7.68 2fk5B1 GLY 35 HA2 -0.00 0.13 0.43 -0.51 4.01 4.06 2fk5B1 GLY 35 HA3 -0.02 -0.03 0.22 -0.51 4.01 3.67 2fk5B1 GLY 36 H -0.01 0.06 -0.51 -0.55 8.43 7.43 2fk5B1 GLY 36 HA2 0.07 0.07 0.34 -0.51 4.01 3.99 2fk5B1 GLY 36 HA3 0.03 0.19 0.61 -0.51 4.01 4.33 2fk5B1 PHE 37 H -0.22 0.59 0.26 -0.55 8.34 8.43 2fk5B1 PHE 37 HA -0.11 0.13 0.82 -0.75 4.62 4.71 2fk5B1 PHE 37 HB2 0.01 0.01 -0.11 -0.04 3.15 3.02 2fk5B1 PHE 37 HB3 -0.48 0.10 -0.20 -0.04 3.06 2.43 2fk5B1 PHE 37 HD2 0.14 -0.02 -0.33 -0.04 7.28 7.02 2fk5B1 PHE 37 HE2 0.09 0.01 -0.19 -0.04 7.38 7.26 2fk5B1 PHE 37 HZ 0.11 0.00 -0.12 -0.04 7.32 7.27 2fk5B1 LEU 38 H 0.21 0.61 0.29 -0.55 8.37 8.93 2fk5B1 LEU 38 HA -0.05 0.21 0.81 -0.75 4.35 4.57 2fk5B1 LEU 38 HB2 0.03 -0.05 -0.03 -0.04 1.64 1.55 2fk5B1 LEU 38 HB3 0.20 -0.04 0.15 -0.04 1.64 1.91 2fk5B1 LEU 38 HG -0.23 0.04 -0.25 -0.04 1.64 1.16 2fk5B1 LEU 38 HD13 -0.10 0.03 -0.37 -0.04 0.93 0.45 2fk5B1 LEU 38 HD23 -0.15 -0.01 -0.11 -0.04 0.89 0.58 2fk5B1 ILE 39 H -0.02 0.68 0.33 -0.55 8.25 8.69 2fk5B1 ILE 39 HA 0.28 0.30 1.16 -0.75 4.18 5.16 2fk5B1 ILE 39 HB 0.40 -0.04 -0.20 -0.04 1.89 2.00 2fk5B1 ILE 39 HG12 -0.05 0.16 0.09 -0.04 1.49 1.65 2fk5B1 ILE 39 HG13 -0.03 0.12 -0.03 -0.04 1.21 1.22 2fk5B1 ILE 39 HG23 0.01 0.05 -0.08 -0.04 0.93 0.88 2fk5B1 ILE 39 HD13 -0.36 -0.04 -0.15 -0.04 0.88 0.29 2fk5B1 THR 40 H -0.01 0.24 0.33 -0.55 8.28 8.29 2fk5B1 THR 40 HA -0.08 0.16 0.66 -0.75 4.39 4.39 2fk5B1 THR 40 HB -0.16 0.15 0.13 -0.04 4.32 4.40 2fk5B1 THR 40 HG23 -0.41 0.02 0.08 -0.04 1.22 0.88 2fk5B1 LYS 41 H -0.05 0.65 0.39 -0.55 8.42 8.85 2fk5B1 LYS 41 HA -0.03 -0.02 0.65 -0.75 4.32 4.17 2fk5B1 LYS 41 HB2 -0.03 -0.08 0.11 -0.04 1.87 1.82 2fk5B1 LYS 41 HB3 -0.02 0.12 0.13 -0.04 1.79 1.97 2fk5B1 LYS 41 HG2 -0.04 -0.03 -0.19 -0.04 1.46 1.15 2fk5B1 LYS 41 HG3 -0.05 0.02 -0.40 -0.04 1.46 0.99 2fk5B1 LYS 41 HD2 -0.04 -0.05 0.05 -0.04 1.69 1.61 2fk5B1 LYS 41 HD3 -0.03 -0.04 -0.01 -0.04 1.68 1.56 2fk5B1 LYS 41 HE2 -0.05 -0.07 -0.13 -0.04 2.99 2.70 2fk5B1 LYS 41 HE3 -0.06 0.06 -0.26 -0.04 2.99 2.69 2fk5B1 SER 42 H -0.01 0.64 0.01 -0.55 8.46 8.56 2fk5B1 SER 42 HA 0.01 -0.01 0.47 -0.75 4.49 4.21 2fk5B1 SER 42 HB2 0.02 0.15 -0.17 -0.04 3.95 3.91 2fk5B1 SER 42 HB3 0.01 0.02 -0.04 -0.04 3.93 3.88 2fk5B1 GLY 43 H 0.02 0.13 0.21 -0.55 8.43 8.24 2fk5B1 GLY 43 HA2 0.01 -0.01 0.37 -0.51 4.01 3.88 2fk5B1 GLY 43 HA3 0.01 0.03 0.36 -0.51 4.01 3.89 2fk5B1 VAL 44 H -0.01 0.21 -0.38 -0.55 8.24 7.51 2fk5B1 VAL 44 HA -0.01 0.13 0.67 -0.75 4.13 4.17 2fk5B1 VAL 44 HB -0.01 -0.06 -0.01 -0.04 2.12 2.00 2fk5B1 VAL 44 HG13 -0.02 0.03 -0.12 -0.04 0.97 0.83 2fk5B1 VAL 44 HG23 -0.03 0.07 -0.12 -0.04 0.95 0.83 2fk5B1 GLN 45 H -0.01 0.14 0.05 -0.55 8.47 8.11 2fk5B1 GLN 45 HA -0.02 0.30 0.59 -0.75 4.36 4.48 2fk5B1 GLN 45 HB2 -0.04 0.03 0.13 -0.04 2.15 2.23 2fk5B1 GLN 45 HB3 -0.08 -0.06 0.02 -0.04 2.02 1.85 2fk5B1 GLN 45 HG2 -0.02 0.01 0.03 -0.04 2.40 2.37 2fk5B1 GLN 45 HG3 -0.04 0.01 0.01 -0.04 2.39 2.32 2fk5B1 GLN 45 HE21 -0.02 -0.09 -0.01 -0.04 6.97 6.81 2fk5B1 GLN 45 HE22 -0.07 -0.00 -0.00 -0.04 7.69 7.57 2fk5B1 LYS 46 H 0.02 0.44 0.15 -0.55 8.42 8.48 2fk5B1 LYS 46 HA 0.06 0.04 0.27 -0.75 4.32 3.94 2fk5B1 LYS 46 HB2 0.14 0.04 -0.01 -0.04 1.87 2.00 2fk5B1 LYS 46 HB3 0.30 -0.06 -0.04 -0.04 1.79 1.95 2fk5B1 LYS 46 HG2 0.01 -0.00 -0.19 -0.04 1.46 1.24 2fk5B1 LYS 46 HG3 -0.10 -0.09 -0.06 -0.04 1.46 1.17 2fk5B1 LYS 46 HD2 0.01 0.06 0.10 -0.04 1.69 1.82 2fk5B1 LYS 46 HD3 0.06 0.05 -0.18 -0.04 1.68 1.57 2fk5B1 LYS 46 HE2 0.02 0.18 0.10 -0.04 2.99 3.25 2fk5B1 LYS 46 HE3 0.00 0.48 -0.05 -0.04 2.99 3.38 2fk5B1 ALA 47 H -0.05 0.11 -0.28 -0.55 8.40 7.63 2fk5B1 ALA 47 HA 0.04 0.09 0.02 -0.75 4.34 3.73 2fk5B1 ALA 47 HB3 -0.37 -0.00 0.01 -0.04 1.41 1.01 2fk5B1 ARG 48 H -0.03 0.34 -0.65 -0.55 8.46 7.57 2fk5B1 ARG 48 HA -0.00 0.19 0.77 -0.75 4.34 4.54 2fk5B1 ARG 48 HB2 -0.04 -0.03 0.06 -0.04 1.90 1.85 2fk5B1 ARG 48 HB3 -0.02 -0.01 0.13 -0.04 1.80 1.86 2fk5B1 ARG 48 HG2 -0.06 0.06 -0.10 -0.04 1.67 1.54 2fk5B1 ARG 48 HG3 -0.15 -0.12 -0.64 -0.04 1.67 0.72 2fk5B1 ARG 48 HD2 -0.10 -0.04 -0.06 -0.04 3.22 2.98 2fk5B1 ARG 48 HD3 -0.05 0.00 -0.03 -0.04 3.22 3.10 2fk5B1 LEU 49 H 0.08 0.22 -0.15 -0.55 8.37 7.96 2fk5B1 LEU 49 HA 0.08 0.04 0.41 -0.75 4.35 4.12 2fk5B1 LEU 49 HB2 0.17 -0.03 -0.03 -0.04 1.64 1.71 2fk5B1 LEU 49 HB3 0.21 -0.01 -0.11 -0.04 1.64 1.69 2fk5B1 LEU 49 HG 0.14 0.19 0.09 -0.04 1.64 2.02 2fk5B1 LEU 49 HD13 0.31 -0.01 -0.13 -0.04 0.93 1.06 2fk5B1 LEU 49 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.77 2fk5B1 THR 50 H 0.08 0.15 0.21 -0.55 8.28 8.17 2fk5B1 THR 50 HA 0.08 0.24 0.80 -0.75 4.39 4.76 2fk5B1 THR 50 HB -0.08 -0.00 0.12 -0.04 4.32 4.32 2fk5B1 THR 50 HG23 0.02 0.06 -0.09 -0.04 1.22 1.17 2fk5B1 PRO 51 HA -0.26 0.08 0.40 -0.51 4.44 4.16 2fk5B1 PRO 51 HB2 -0.25 0.04 0.04 -0.04 2.28 2.07 2fk5B1 PRO 51 HB3 -0.30 0.04 0.07 -0.04 2.02 1.79 2fk5B1 PRO 51 HG2 -0.51 0.06 0.07 -0.04 2.03 1.60 2fk5B1 PRO 51 HG3 -1.54 0.04 0.05 -0.04 2.03 0.54 2fk5B1 PRO 51 HD2 -0.32 0.10 0.19 -0.04 3.68 3.62 2fk5B1 PRO 51 HD3 -0.76 0.20 0.20 -0.04 3.65 3.25 2fk5B1 GLU 52 H -0.13 0.09 -0.29 -0.55 8.60 7.72 2fk5B1 GLU 52 HA -0.09 0.16 0.49 -0.75 4.29 4.10 2fk5B1 GLU 52 HB2 -0.06 0.05 0.11 -0.04 2.09 2.16 2fk5B1 GLU 52 HB3 -0.07 -0.01 0.07 -0.04 1.99 1.94 2fk5B1 GLU 52 HG2 -0.05 0.02 -0.17 -0.04 2.34 2.10 2fk5B1 GLU 52 HG3 -0.04 0.04 -0.04 -0.04 2.34 2.25 2fk5B1 ASP 53 H -0.06 0.54 -0.47 -0.55 8.40 7.87 2fk5B1 ASP 53 HA -0.04 0.14 0.63 -0.75 4.63 4.61 2fk5B1 ASP 53 HB2 0.01 0.16 0.14 -0.04 2.71 2.99 2fk5B1 ASP 53 HB3 -0.01 -0.05 0.15 -0.04 2.70 2.75 2fk5B1 LEU 54 H -0.09 0.37 -0.31 -0.55 8.37 7.79 2fk5B1 LEU 54 HA -0.11 0.25 1.00 -0.75 4.35 4.74 2fk5B1 LEU 54 HB2 -0.19 0.04 0.01 -0.04 1.64 1.46 2fk5B1 LEU 54 HB3 -0.29 -0.03 -0.10 -0.04 1.64 1.17 2fk5B1 LEU 54 HG -0.11 -0.00 -0.17 -0.04 1.64 1.32 2fk5B1 LEU 54 HD13 -0.61 -0.02 -0.11 -0.04 0.93 0.15 2fk5B1 LEU 54 HD23 -0.17 0.03 -0.28 -0.04 0.89 0.43 2fk5B1 LEU 55 H -0.09 0.63 0.27 -0.55 8.37 8.63 2fk5B1 LEU 55 HA -0.09 0.12 0.80 -0.75 4.35 4.43 2fk5B1 LEU 55 HB2 -0.08 0.05 -0.00 -0.04 1.64 1.57 2fk5B1 LEU 55 HB3 -0.07 0.09 -0.17 -0.04 1.64 1.45 2fk5B1 LEU 55 HG -0.06 0.01 -0.20 -0.04 1.64 1.34 2fk5B1 LEU 55 HD13 -0.09 -0.04 -0.18 -0.04 0.93 0.58 2fk5B1 LEU 55 HD23 -0.05 -0.01 -0.31 -0.04 0.89 0.48 2fk5B1 GLU 56 H -0.10 0.14 0.15 -0.55 8.60 8.24 2fk5B1 GLU 56 HA -0.17 0.22 0.87 -0.75 4.29 4.46 2fk5B1 GLU 56 HB2 -0.08 -0.05 0.06 -0.04 2.09 1.97 2fk5B1 GLU 56 HB3 -0.10 0.02 0.01 -0.04 1.99 1.88 2fk5B1 GLU 56 HG2 -0.12 0.07 -0.22 -0.04 2.34 2.03 2fk5B1 GLU 56 HG3 -0.09 -0.00 -0.23 -0.04 2.34 1.98 2fk5B1 VAL 57 H -0.51 0.72 0.38 -0.55 8.24 8.28 2fk5B1 VAL 57 HA -0.23 0.21 0.91 -0.75 4.13 4.27 2fk5B1 VAL 57 HB -1.76 -0.07 0.04 -0.04 2.12 0.29 2fk5B1 VAL 57 HG13 -0.08 0.07 -0.08 -0.04 0.97 0.83 2fk5B1 VAL 57 HG23 -0.29 0.00 -0.17 -0.04 0.95 0.45 2fk5B1 PRO 58 HA -0.02 0.18 0.65 -0.51 4.44 4.74 2fk5B1 PRO 58 HB2 0.01 -0.03 0.16 -0.04 2.28 2.37 2fk5B1 PRO 58 HB3 -0.02 -0.02 0.12 -0.04 2.02 2.05 2fk5B1 PRO 58 HG2 0.00 0.12 -0.08 -0.04 2.03 2.03 2fk5B1 PRO 58 HG3 -0.02 0.02 0.08 -0.04 2.03 2.07 2fk5B1 PRO 58 HD2 -0.08 0.10 0.22 -0.04 3.68 3.89 2fk5B1 PRO 58 HD3 -0.08 0.10 0.15 -0.04 3.65 3.78 2fk5B1 LEU 59 H 0.08 0.25 0.26 -0.55 8.37 8.41 2fk5B1 LEU 59 HA 0.25 0.08 0.48 -0.75 4.35 4.40 2fk5B1 LEU 59 HB2 0.09 -0.00 0.09 -0.04 1.64 1.77 2fk5B1 LEU 59 HB3 0.11 0.01 0.08 -0.04 1.64 1.81 2fk5B1 LEU 59 HG 0.14 -0.03 0.07 -0.04 1.64 1.78 2fk5B1 LEU 59 HD13 0.09 0.02 -0.06 -0.04 0.93 0.94 2fk5B1 LEU 59 HD23 0.32 0.02 -0.09 -0.04 0.89 1.10 2fk5B1 GLU 60 H 0.05 0.05 -0.31 -0.55 8.60 7.84 2fk5B1 GLU 60 HA 0.05 0.17 0.91 -0.75 4.29 4.66 2fk5B1 GLU 60 HB2 0.03 -0.04 0.04 -0.04 2.09 2.08 2fk5B1 GLU 60 HB3 0.02 -0.01 -0.08 -0.04 1.99 1.88 2fk5B1 GLU 60 HG2 0.04 0.15 -0.15 -0.04 2.34 2.33 2fk5B1 GLU 60 HG3 0.03 -0.01 -0.11 -0.04 2.34 2.22 2fk5B1 GLY 61 H 0.03 0.07 0.06 -0.55 8.43 8.05 2fk5B1 GLY 61 HA2 0.02 -0.04 0.30 -0.51 4.01 3.78 2fk5B1 GLY 61 HA3 0.02 0.19 0.68 -0.51 4.01 4.39 2fk5B1 PRO 62 HA 0.02 -0.03 0.39 -0.51 4.44 4.31 2fk5B1 PRO 62 HB2 0.00 0.02 -0.04 -0.04 2.28 2.23 2fk5B1 PRO 62 HB3 0.01 0.02 0.04 -0.04 2.02 2.04 2fk5B1 PRO 62 HG2 0.01 0.03 0.06 -0.04 2.03 2.08 2fk5B1 PRO 62 HG3 0.01 0.02 0.06 -0.04 2.03 2.07 2fk5B1 PRO 62 HD2 0.01 0.14 0.18 -0.04 3.68 3.96 2fk5B1 PRO 62 HD3 0.01 0.06 0.18 -0.04 3.65 3.85 2fk5B1 ILE 63 H 0.02 0.04 0.10 -0.55 8.25 7.87 2fk5B1 ILE 63 HA 0.01 0.24 0.65 -0.75 4.18 4.33 2fk5B1 ILE 63 HB 0.04 -0.08 0.07 -0.04 1.89 1.87 2fk5B1 ILE 63 HG12 0.09 0.16 -0.14 -0.04 1.49 1.56 2fk5B1 ILE 63 HG13 0.06 -0.03 -0.04 -0.04 1.21 1.15 2fk5B1 ILE 63 HG23 0.04 0.04 -0.15 -0.04 0.93 0.81 2fk5B1 ILE 63 HD13 0.10 -0.04 -0.17 -0.04 0.88 0.73 2fk5B1 PRO 64 HA -0.02 -0.04 0.36 -0.51 4.44 4.24 2fk5B1 PRO 64 HB2 -0.05 -0.03 -0.02 -0.04 2.28 2.13 2fk5B1 PRO 64 HB3 -0.04 0.02 0.08 -0.04 2.02 2.04 2fk5B1 PRO 64 HG2 -0.08 0.20 0.16 -0.04 2.03 2.26 2fk5B1 PRO 64 HG3 -0.05 0.03 0.11 -0.04 2.03 2.08 2fk5B1 PRO 64 HD2 -0.07 0.01 0.16 -0.04 3.68 3.75 2fk5B1 PRO 64 HD3 -0.04 0.33 0.31 -0.04 3.65 4.21 2fk5B1 GLU 65 H -0.01 0.06 0.18 -0.55 8.60 8.28 2fk5B1 GLU 65 HA -0.00 0.07 0.51 -0.75 4.29 4.11 2fk5B1 GLU 65 HB2 -0.00 0.02 0.15 -0.04 2.09 2.21 2fk5B1 GLU 65 HB3 -0.01 -0.00 0.09 -0.04 1.99 2.03 2fk5B1 GLU 65 HG2 -0.00 0.00 0.02 -0.04 2.34 2.31 2fk5B1 GLU 65 HG3 -0.00 0.02 -0.06 -0.04 2.34 2.26 2fk5B1 GLY 66 H -0.00 0.14 0.16 -0.55 8.43 8.17 2fk5B1 GLY 66 HA2 -0.01 -0.01 0.35 -0.51 4.01 3.84 2fk5B1 GLY 66 HA3 -0.02 0.18 0.64 -0.51 4.01 4.30 2fk5B1 ALA 67 H -0.01 0.34 -0.36 -0.55 8.40 7.83 2fk5B1 ALA 67 HA -0.02 0.10 0.48 -0.75 4.34 4.15 2fk5B1 ALA 67 HB3 -0.00 0.01 -0.04 -0.04 1.41 1.33 2fk5B1 SER 68 H 0.00 0.37 0.15 -0.55 8.46 8.44 2fk5B1 SER 68 HA 0.03 0.02 0.31 -0.75 4.49 4.09 2fk5B1 SER 68 HB2 -0.01 0.29 0.05 -0.04 3.95 4.24 2fk5B1 SER 68 HB3 -0.01 -0.03 0.05 -0.04 3.93 3.90 2fk5B1 VAL 69 H 0.07 0.17 0.18 -0.55 8.24 8.11 2fk5B1 VAL 69 HA 0.06 0.18 0.42 -0.75 4.13 4.03 2fk5B1 VAL 69 HB 0.07 0.03 0.11 -0.04 2.12 2.28 2fk5B1 VAL 69 HG13 0.05 0.02 0.08 -0.04 0.97 1.08 2fk5B1 VAL 69 HG23 0.11 -0.00 -0.05 -0.04 0.95 0.96 2fk5B1 GLU 70 H 0.13 0.10 -0.47 -0.55 8.60 7.80 2fk5B1 GLU 70 HA 0.15 0.06 0.67 -0.75 4.29 4.41 2fk5B1 GLU 70 HB2 0.30 0.07 -0.09 -0.04 2.09 2.33 2fk5B1 GLU 70 HB3 0.33 0.00 0.07 -0.04 1.99 2.36 2fk5B1 GLU 70 HG2 0.21 -0.04 -0.08 -0.04 2.34 2.39 2fk5B1 GLU 70 HG3 0.21 0.10 -0.06 -0.04 2.34 2.55 2fk5B1 SER 71 H 0.12 0.62 -0.48 -0.55 8.46 8.18 2fk5B1 SER 71 HA 0.20 0.01 0.26 -0.75 4.49 4.21 2fk5B1 SER 71 HB2 0.13 0.09 -0.03 -0.04 3.95 4.09 2fk5B1 SER 71 HB3 0.28 0.04 -0.12 -0.04 3.93 4.09 2fk5B1 VAL 72 H 0.11 0.19 -0.38 -0.55 8.24 7.61 2fk5B1 VAL 72 HA 0.10 0.14 0.26 -0.75 4.13 3.87 2fk5B1 VAL 72 HB 0.06 0.07 -0.06 -0.04 2.12 2.15 2fk5B1 VAL 72 HG13 0.04 0.02 -0.25 -0.04 0.97 0.74 2fk5B1 VAL 72 HG23 0.02 -0.00 -0.21 -0.04 0.95 0.71 2fk5B1 VAL 73 H 0.07 0.20 -0.43 -0.55 8.24 7.53 2fk5B1 VAL 73 HA -0.13 0.02 0.43 -0.75 4.13 3.71 2fk5B1 VAL 73 HB 0.01 0.13 0.06 -0.04 2.12 2.27 2fk5B1 VAL 73 HG13 -0.71 0.02 -0.20 -0.04 0.97 0.04 2fk5B1 VAL 73 HG23 -0.03 -0.03 -0.09 -0.04 0.95 0.76 2fk5B1 HIS 74 H 0.21 0.40 -0.08 -0.55 8.41 8.40 2fk5B1 HIS 74 HA -0.35 0.04 0.30 -0.75 4.63 3.86 2fk5B1 HIS 74 HB2 -0.18 0.06 0.02 -0.04 3.26 3.12 2fk5B1 HIS 74 HB3 -0.47 0.01 -0.18 -0.04 3.20 2.52 2fk5B1 HIS 74 HD2 0.14 0.22 -0.20 -0.04 6.97 7.09 2fk5B1 HIS 74 HE1 0.21 0.06 -0.27 -0.04 7.75 7.71 2fk5B1 ARG 75 H -0.05 0.72 -0.23 -0.55 8.46 8.34 2fk5B1 ARG 75 HA -0.16 0.02 0.26 -0.75 4.34 3.71 2fk5B1 ARG 75 HB2 0.36 0.00 -0.03 -0.04 1.90 2.19 2fk5B1 ARG 75 HB3 0.10 0.02 0.05 -0.04 1.80 1.94 2fk5B1 ARG 75 HG2 0.09 -0.03 -0.36 -0.04 1.67 1.33 2fk5B1 ARG 75 HG3 0.23 -0.02 -0.00 -0.04 1.67 1.83 2fk5B1 ARG 75 HD2 0.12 -0.12 -0.10 -0.04 3.22 3.09 2fk5B1 ARG 75 HD3 0.10 0.04 -0.08 -0.04 3.22 3.23 2fk5B1 GLU 76 H -0.07 0.39 -0.26 -0.55 8.60 8.12 2fk5B1 GLU 76 HA -0.03 0.03 0.37 -0.75 4.29 3.91 2fk5B1 GLU 76 HB2 -0.06 0.07 0.11 -0.04 2.09 2.17 2fk5B1 GLU 76 HB3 -0.12 0.10 0.00 -0.04 1.99 1.93 2fk5B1 GLU 76 HG2 -0.05 -0.10 -0.22 -0.04 2.34 1.93 2fk5B1 GLU 76 HG3 -0.06 0.02 -0.08 -0.04 2.34 2.17 2fk5B1 VAL 77 H -0.26 0.44 -0.30 -0.55 8.24 7.57 2fk5B1 VAL 77 HA -0.18 0.03 0.39 -0.75 4.13 3.61 2fk5B1 VAL 77 HB -0.56 0.09 0.05 -0.04 2.12 1.66 2fk5B1 VAL 77 HG13 -0.30 -0.00 -0.20 -0.04 0.97 0.43 2fk5B1 VAL 77 HG23 -0.39 0.04 -0.12 -0.04 0.95 0.44 2fk5B1 TYR 78 H -0.25 0.46 -0.18 -0.55 8.29 7.77 2fk5B1 TYR 78 HA -0.04 0.09 0.42 -0.75 4.56 4.28 2fk5B1 TYR 78 HB2 -0.10 0.05 0.06 -0.04 3.06 3.04 2fk5B1 TYR 78 HB3 0.01 0.00 -0.03 -0.04 2.98 2.92 2fk5B1 TYR 78 HD2 -0.37 0.13 -0.21 -0.04 7.15 6.65 2fk5B1 TYR 78 HE2 -0.10 -0.12 -0.50 -0.04 6.85 6.09 2fk5B1 ARG 79 H 0.04 0.39 -0.22 -0.55 8.46 8.12 2fk5B1 ARG 79 HA 0.06 0.00 0.41 -0.75 4.34 4.07 2fk5B1 ARG 79 HB2 0.01 0.07 0.19 -0.04 1.90 2.13 2fk5B1 ARG 79 HB3 0.02 -0.08 -0.02 -0.04 1.80 1.69 2fk5B1 ARG 79 HG2 0.06 -0.06 0.04 -0.04 1.67 1.67 2fk5B1 ARG 79 HG3 0.08 0.15 0.04 -0.04 1.67 1.90 2fk5B1 ARG 79 HD2 0.03 -0.08 -0.10 -0.04 3.22 3.03 2fk5B1 ARG 79 HD3 0.03 -0.06 -0.01 -0.04 3.22 3.13 2fk5B1 ARG 80 H -0.02 0.49 -0.08 -0.55 8.46 8.30 2fk5B1 ARG 80 HA -0.00 0.10 0.71 -0.75 4.34 4.39 2fk5B1 ARG 80 HB2 -0.05 0.06 0.02 -0.04 1.90 1.89 2fk5B1 ARG 80 HB3 -0.03 -0.05 0.02 -0.04 1.80 1.69 2fk5B1 ARG 80 HG2 -0.02 -0.04 -0.05 -0.04 1.67 1.53 2fk5B1 ARG 80 HG3 -0.02 0.01 -0.01 -0.04 1.67 1.60 2fk5B1 ARG 80 HD2 -0.05 -0.01 -0.07 -0.04 3.22 3.04 2fk5B1 ARG 80 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.06 2fk5B1 THR 81 H -0.01 0.50 -0.10 -0.55 8.28 8.12 2fk5B1 THR 81 HA -0.01 0.19 0.99 -0.75 4.39 4.81 2fk5B1 THR 81 HB -0.02 -0.03 0.13 -0.04 4.32 4.36 2fk5B1 THR 81 HG23 -0.06 -0.02 -0.21 -0.04 1.22 0.89 2fk5B1 GLY 82 H 0.01 0.16 0.12 -0.55 8.43 8.17 2fk5B1 GLY 82 HA2 0.05 0.23 0.71 -0.51 4.01 4.49 2fk5B1 GLY 82 HA3 0.03 -0.05 0.36 -0.51 4.01 3.83 2fk5B1 ALA 83 H 0.04 0.09 -0.50 -0.55 8.40 7.48 2fk5B1 ALA 83 HA 0.06 0.03 0.41 -0.75 4.34 4.08 2fk5B1 ALA 83 HB3 -0.02 0.01 -0.05 -0.04 1.41 1.31 2fk5B1 ARG 84 H 0.11 0.65 0.50 -0.55 8.46 9.16 2fk5B1 ARG 84 HA 0.12 0.19 0.91 -0.75 4.34 4.80 2fk5B1 ARG 84 HB2 0.07 -0.14 -0.16 -0.04 1.90 1.63 2fk5B1 ARG 84 HB3 0.06 -0.06 0.05 -0.04 1.80 1.82 2fk5B1 ARG 84 HG2 0.06 0.02 0.06 -0.04 1.67 1.77 2fk5B1 ARG 84 HG3 0.04 0.12 -0.23 -0.04 1.67 1.56 2fk5B1 ARG 84 HD2 0.08 0.17 -0.36 -0.04 3.22 3.07 2fk5B1 ARG 84 HD3 0.05 -0.02 -0.05 -0.04 3.22 3.16 2fk5B1 ALA 85 H 0.17 0.33 0.31 -0.55 8.40 8.66 2fk5B1 ALA 85 HA 0.29 0.11 0.63 -0.75 4.34 4.62 2fk5B1 ALA 85 HB3 0.07 0.03 -0.13 -0.04 1.41 1.34 2fk5B1 LEU 86 H 0.25 0.58 0.31 -0.55 8.37 8.96 2fk5B1 LEU 86 HA 0.05 0.36 1.05 -0.75 4.35 5.06 2fk5B1 LEU 86 HB2 -0.20 0.05 -0.26 -0.04 1.64 1.19 2fk5B1 LEU 86 HB3 0.05 -0.11 -0.01 -0.04 1.64 1.54 2fk5B1 LEU 86 HG 0.06 -0.03 -0.23 -0.04 1.64 1.41 2fk5B1 LEU 86 HD13 -0.04 0.07 -0.12 -0.04 0.93 0.80 2fk5B1 LEU 86 HD23 -0.72 -0.01 -0.16 -0.04 0.89 -0.05 2fk5B1 VAL 87 H 0.06 0.66 0.38 -0.55 8.24 8.79 2fk5B1 VAL 87 HA 0.23 0.16 1.19 -0.75 4.13 4.96 2fk5B1 VAL 87 HB -0.00 0.04 0.03 -0.04 2.12 2.14 2fk5B1 VAL 87 HG13 0.01 -0.01 -0.24 -0.04 0.97 0.69 2fk5B1 VAL 87 HG23 -0.01 -0.02 -0.19 -0.04 0.95 0.68 2fk5B1 HIS 88 H 0.17 0.77 0.44 -0.55 8.41 9.24 2fk5B1 HIS 88 HA -0.69 0.40 1.21 -0.75 4.63 4.79 2fk5B1 HIS 88 HB2 -0.96 -0.05 0.04 -0.04 3.26 2.26 2fk5B1 HIS 88 HB3 -0.15 -0.07 0.24 -0.04 3.20 3.17 2fk5B1 HIS 88 HD2 -0.04 -0.11 -0.07 -0.04 6.97 6.71 2fk5B1 HIS 88 HE1 -0.86 -0.03 -0.13 -0.04 7.75 6.68 2fk5B1 ALA 89 H -0.53 0.54 0.36 -0.55 8.40 8.23 2fk5B1 ALA 89 HA -0.36 0.12 0.80 -0.75 4.34 4.15 2fk5B1 ALA 89 HB3 -0.13 0.02 -0.07 -0.04 1.41 1.19 2fk5B1 HIS 90 H -0.07 0.63 0.18 -0.55 8.41 8.60 2fk5B1 HIS 90 HA -0.17 0.13 1.05 -0.75 4.63 4.88 2fk5B1 HIS 90 HB2 -0.08 0.02 0.17 -0.04 3.26 3.32 2fk5B1 HIS 90 HB3 -0.08 0.05 0.14 -0.04 3.20 3.27 2fk5B1 HIS 90 HD2 -0.18 0.04 -0.16 -0.04 6.97 6.62 2fk5B1 HIS 90 HE1 -0.16 -0.05 -0.08 -0.04 7.75 7.41 2fk5B1 PRO 91 HA -0.03 0.09 0.50 -0.51 4.44 4.49 2fk5B1 PRO 91 HB2 -0.06 -0.16 0.03 -0.04 2.28 2.06 2fk5B1 PRO 91 HB3 -0.07 0.09 0.09 -0.04 2.02 2.09 2fk5B1 PRO 91 HG2 -0.08 -0.03 -0.02 -0.04 2.03 1.87 2fk5B1 PRO 91 HG3 -0.09 0.09 -0.05 -0.04 2.03 1.93 2fk5B1 PRO 91 HD2 -0.19 0.17 -0.10 -0.04 3.68 3.52 2fk5B1 PRO 91 HD3 -0.15 0.08 -0.13 -0.04 3.65 3.42 2fk5B1 ARG 92 H -0.01 0.26 0.29 -0.55 8.46 8.45 2fk5B1 ARG 92 HA 0.03 0.13 0.32 -0.75 4.34 4.07 2fk5B1 ARG 92 HB2 0.00 -0.07 0.15 -0.04 1.90 1.93 2fk5B1 ARG 92 HB3 0.02 0.01 0.03 -0.04 1.80 1.82 2fk5B1 ARG 92 HG2 0.02 0.05 0.11 -0.04 1.67 1.80 2fk5B1 ARG 92 HG3 0.00 0.12 0.22 -0.04 1.67 1.97 2fk5B1 ARG 92 HD2 0.00 -0.04 0.06 -0.04 3.22 3.20 2fk5B1 ARG 92 HD3 0.01 -0.04 0.04 -0.04 3.22 3.19 2fk5B1 VAL 93 H -0.02 0.13 -0.03 -0.55 8.24 7.77 2fk5B1 VAL 93 HA 0.01 0.13 0.47 -0.75 4.13 3.98 2fk5B1 VAL 93 HB -0.06 -0.03 -0.00 -0.04 2.12 1.99 2fk5B1 VAL 93 HG13 -0.08 0.02 -0.24 -0.04 0.97 0.63 2fk5B1 VAL 93 HG23 -0.05 0.02 0.03 -0.04 0.95 0.90 2fk5B1 ALA 94 H -0.04 0.06 -0.26 -0.55 8.40 7.62 2fk5B1 ALA 94 HA -0.03 0.05 0.32 -0.75 4.34 3.93 2fk5B1 ALA 94 HB3 -0.05 0.04 -0.07 -0.04 1.41 1.29 2fk5B1 VAL 95 H -0.02 0.52 -0.34 -0.55 8.24 7.86 2fk5B1 VAL 95 HA -0.11 0.01 0.33 -0.75 4.13 3.60 2fk5B1 VAL 95 HB 0.03 0.11 0.01 -0.04 2.12 2.23 2fk5B1 VAL 95 HG13 0.02 -0.03 -0.28 -0.04 0.97 0.64 2fk5B1 VAL 95 HG23 -0.02 0.05 -0.24 -0.04 0.95 0.70 2fk5B1 ALA 96 H 0.05 0.48 -0.15 -0.55 8.40 8.25 2fk5B1 ALA 96 HA 0.34 0.03 0.41 -0.75 4.34 4.37 2fk5B1 ALA 96 HB3 0.11 0.02 0.11 -0.04 1.41 1.61 2fk5B1 LEU 97 H 0.05 0.61 -0.18 -0.55 8.37 8.30 2fk5B1 LEU 97 HA 0.20 0.03 0.38 -0.75 4.35 4.20 2fk5B1 LEU 97 HB2 0.01 0.08 0.02 -0.04 1.64 1.70 2fk5B1 LEU 97 HB3 0.05 -0.05 0.02 -0.04 1.64 1.62 2fk5B1 LEU 97 HG 0.01 0.22 -0.06 -0.04 1.64 1.76 2fk5B1 LEU 97 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.85 2fk5B1 LEU 97 HD23 0.07 -0.03 -0.06 -0.04 0.89 0.82 2fk5B1 SER 98 H -0.08 0.35 -0.50 -0.55 8.46 7.69 2fk5B1 SER 98 HA -0.08 0.02 0.32 -0.75 4.49 4.00 2fk5B1 SER 98 HB2 -0.17 -0.07 -0.02 -0.04 3.95 3.65 2fk5B1 SER 98 HB3 -0.15 0.11 0.07 -0.04 3.93 3.91 2fk5B1 PHE 99 H -0.08 0.40 -0.38 -0.55 8.34 7.72 2fk5B1 PHE 99 HA -0.08 0.05 0.47 -0.75 4.62 4.31 2fk5B1 PHE 99 HB2 -0.42 0.11 0.07 -0.04 3.15 2.87 2fk5B1 PHE 99 HB3 -0.24 -0.05 0.05 -0.04 3.06 2.78 2fk5B1 PHE 99 HD2 -0.07 0.11 0.09 -0.04 7.28 7.36 2fk5B1 PHE 99 HE2 -0.01 -0.02 -0.07 -0.04 7.38 7.24 2fk5B1 PHE 99 HZ 0.01 0.03 0.03 -0.04 7.32 7.35 2fk5B1 HIS 100 H 0.07 0.32 -0.31 -0.55 8.41 7.95 2fk5B1 HIS 100 HA 0.07 0.16 0.81 -0.75 4.63 4.92 2fk5B1 HIS 100 HB2 0.05 0.07 0.09 -0.04 3.26 3.43 2fk5B1 HIS 100 HB3 0.04 -0.06 0.07 -0.04 3.20 3.22 2fk5B1 HIS 100 HD2 0.05 0.02 -0.04 -0.04 6.97 6.95 2fk5B1 HIS 100 HE1 0.05 -0.04 -0.04 -0.04 7.75 7.67 2fk5B1 LEU 101 H 0.05 0.30 -0.07 -0.55 8.37 8.10 2fk5B1 LEU 101 HA 0.05 0.18 1.03 -0.75 4.35 4.85 2fk5B1 LEU 101 HB2 0.01 -0.01 -0.16 -0.04 1.64 1.43 2fk5B1 LEU 101 HB3 0.01 0.01 0.06 -0.04 1.64 1.68 2fk5B1 LEU 101 HG 0.08 0.01 -0.21 -0.04 1.64 1.49 2fk5B1 LEU 101 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2fk5B1 LEU 101 HD23 0.03 0.04 -0.04 -0.04 0.89 0.88 2fk5B1 SER 102 H 0.01 0.12 0.20 -0.55 8.46 8.25 2fk5B1 SER 102 HA -0.01 0.23 0.78 -0.75 4.49 4.72 2fk5B1 SER 102 HB2 -0.01 0.01 0.14 -0.04 3.95 4.05 2fk5B1 SER 102 HB3 0.00 0.02 0.07 -0.04 3.93 3.97 2fk5B1 ARG 103 H -0.01 0.12 0.09 -0.55 8.46 8.10 2fk5B1 ARG 103 HA -0.05 0.19 0.56 -0.75 4.34 4.28 2fk5B1 ARG 103 HB2 -0.06 0.04 -0.11 -0.04 1.90 1.73 2fk5B1 ARG 103 HB3 -0.04 0.03 -0.31 -0.04 1.80 1.45 2fk5B1 ARG 103 HG2 -0.02 -0.01 -0.48 -0.04 1.67 1.11 2fk5B1 ARG 103 HG3 -0.01 0.03 -0.17 -0.04 1.67 1.48 2fk5B1 ARG 103 HD2 -0.01 -0.14 0.10 -0.04 3.22 3.14 2fk5B1 ARG 103 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.15 2fk5B1 LEU 104 H -0.05 0.82 0.21 -0.55 8.37 8.81 2fk5B1 LEU 104 HA -0.02 0.13 0.84 -0.75 4.35 4.55 2fk5B1 LEU 104 HB2 -0.03 0.03 -0.07 -0.04 1.64 1.53 2fk5B1 LEU 104 HB3 -0.03 -0.03 0.11 -0.04 1.64 1.64 2fk5B1 LEU 104 HG -0.02 0.03 -0.11 -0.04 1.64 1.50 2fk5B1 LEU 104 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.74 2fk5B1 LEU 104 HD23 -0.03 -0.01 -0.44 -0.04 0.89 0.37 2fk5B1 ARG 105 H -0.02 0.22 0.05 -0.55 8.46 8.16 2fk5B1 ARG 105 HA -0.01 0.27 0.89 -0.75 4.34 4.73 2fk5B1 ARG 105 HB2 -0.02 -0.05 0.13 -0.04 1.90 1.92 2fk5B1 ARG 105 HB3 -0.02 0.11 0.02 -0.04 1.80 1.87 2fk5B1 ARG 105 HG2 -0.01 0.08 -0.10 -0.04 1.67 1.61 2fk5B1 ARG 105 HG3 -0.01 -0.07 -0.29 -0.04 1.67 1.25 2fk5B1 ARG 105 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.12 2fk5B1 ARG 105 HD3 -0.01 0.03 -0.03 -0.04 3.22 3.17 2fk5B1 PRO 106 HA -0.03 -0.01 0.38 -0.51 4.44 4.27 2fk5B1 PRO 106 HB2 -0.00 0.06 -0.21 -0.04 2.28 2.09 2fk5B1 PRO 106 HB3 -0.01 -0.14 0.03 -0.04 2.02 1.86 2fk5B1 PRO 106 HG2 0.00 0.09 -0.23 -0.04 2.03 1.86 2fk5B1 PRO 106 HG3 -0.01 0.00 -0.13 -0.04 2.03 1.85 2fk5B1 PRO 106 HD2 -0.01 0.34 0.01 -0.04 3.68 3.98 2fk5B1 PRO 106 HD3 -0.01 0.30 0.00 -0.04 3.65 3.90 2fk5B1 LEU 107 H -0.05 0.05 0.20 -0.55 8.37 8.02 2fk5B1 LEU 107 HA -0.06 0.23 0.67 -0.75 4.35 4.44 2fk5B1 LEU 107 HB2 -0.10 -0.08 0.04 -0.04 1.64 1.46 2fk5B1 LEU 107 HB3 -0.14 0.01 0.06 -0.04 1.64 1.53 2fk5B1 LEU 107 HG -0.13 -0.00 0.04 -0.04 1.64 1.50 2fk5B1 LEU 107 HD13 -0.54 0.01 -0.01 -0.04 0.93 0.35 2fk5B1 LEU 107 HD23 -0.15 0.03 -0.03 -0.04 0.89 0.70 2fk5B1 ASP 108 H -0.02 -0.06 0.03 -0.55 8.40 7.80 2fk5B1 ASP 108 HA -0.02 0.23 0.67 -0.75 4.63 4.76 2fk5B1 ASP 108 HB2 0.00 -0.04 0.08 -0.04 2.71 2.71 2fk5B1 ASP 108 HB3 -0.01 0.10 0.07 -0.04 2.70 2.82 2fk5B1 LEU 109 H -0.01 0.18 0.16 -0.55 8.37 8.16 2fk5B1 LEU 109 HA -0.00 0.17 0.33 -0.75 4.35 4.09 2fk5B1 LEU 109 HB2 -0.01 0.08 0.13 -0.04 1.64 1.80 2fk5B1 LEU 109 HB3 -0.01 -0.06 0.13 -0.04 1.64 1.66 2fk5B1 LEU 109 HG -0.05 -0.01 -0.28 -0.04 1.64 1.26 2fk5B1 LEU 109 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 2fk5B1 LEU 109 HD23 -0.04 0.01 -0.02 -0.04 0.89 0.80 2fk5B1 GLU 110 H 0.02 0.09 -0.09 -0.55 8.60 8.08 2fk5B1 GLU 110 HA 0.08 0.11 0.38 -0.75 4.29 4.11 2fk5B1 GLU 110 HB2 0.07 0.03 0.09 -0.04 2.09 2.24 2fk5B1 GLU 110 HB3 0.06 -0.07 0.06 -0.04 1.99 2.00 2fk5B1 GLU 110 HG2 0.07 0.01 -0.10 -0.04 2.34 2.28 2fk5B1 GLU 110 HG3 0.34 0.00 -0.16 -0.04 2.34 2.48 2fk5B1 GLY 111 H 0.05 0.03 -0.28 -0.55 8.43 7.68 2fk5B1 GLY 111 HA2 0.08 0.05 0.35 -0.51 4.01 3.99 2fk5B1 GLY 111 HA3 0.03 0.02 0.23 -0.51 4.01 3.77 2fk5B1 GLN 112 H 0.02 0.50 -0.20 -0.55 8.47 8.24 2fk5B1 GLN 112 HA 0.00 0.12 0.46 -0.75 4.36 4.18 2fk5B1 GLN 112 HB2 0.01 -0.02 0.05 -0.04 2.15 2.15 2fk5B1 GLN 112 HB3 -0.01 0.00 0.00 -0.04 2.02 1.98 2fk5B1 GLN 112 HG2 -0.01 0.16 -0.07 -0.04 2.40 2.44 2fk5B1 GLN 112 HG3 -0.00 0.15 -0.28 -0.04 2.39 2.21 2fk5B1 GLN 112 HE21 -0.02 -0.08 -0.04 -0.04 6.97 6.79 2fk5B1 GLN 112 HE22 -0.02 0.29 0.02 -0.04 7.69 7.93 2fk5B1 HIS 113 H 0.06 0.52 -0.15 -0.55 8.41 8.30 2fk5B1 HIS 113 HA -0.12 0.08 0.45 -0.75 4.63 4.28 2fk5B1 HIS 113 HB2 -0.17 -0.04 0.08 -0.04 3.26 3.09 2fk5B1 HIS 113 HB3 -0.31 0.02 0.16 -0.04 3.20 3.04 2fk5B1 HIS 113 HD2 -0.16 -0.02 -0.00 -0.04 6.97 6.74 2fk5B1 HIS 113 HE1 -0.44 -0.03 -0.06 -0.04 7.75 7.17 2fk5B1 TYR 114 H 0.13 0.49 -0.00 -0.55 8.29 8.36 2fk5B1 TYR 114 HA -0.03 0.14 0.66 -0.75 4.56 4.58 2fk5B1 TYR 114 HB2 0.04 0.03 0.10 -0.04 3.06 3.19 2fk5B1 TYR 114 HB3 0.02 -0.03 -0.01 -0.04 2.98 2.92 2fk5B1 TYR 114 HD2 0.07 0.05 0.03 -0.04 7.15 7.26 2fk5B1 TYR 114 HE2 0.05 -0.04 -0.02 -0.04 6.85 6.80 2fk5B1 LEU 115 H 0.09 0.42 0.01 -0.55 8.37 8.35 2fk5B1 LEU 115 HA 0.05 0.13 0.88 -0.75 4.35 4.66 2fk5B1 LEU 115 HB2 0.03 0.14 0.02 -0.04 1.64 1.79 2fk5B1 LEU 115 HB3 0.02 -0.03 -0.12 -0.04 1.64 1.46 2fk5B1 LEU 115 HG 0.06 -0.09 -0.10 -0.04 1.64 1.47 2fk5B1 LEU 115 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.71 2fk5B1 LEU 115 HD23 0.01 0.04 -0.10 -0.04 0.89 0.80 2fk5B1 LYS 116 H 0.01 0.29 0.04 -0.55 8.42 8.21 2fk5B1 LYS 116 HA -0.01 0.12 0.49 -0.75 4.32 4.17 2fk5B1 LYS 116 HB2 0.02 0.22 0.37 -0.04 1.87 2.44 2fk5B1 LYS 116 HB3 -0.00 -0.08 0.10 -0.04 1.79 1.77 2fk5B1 LYS 116 HG2 -0.06 0.06 0.02 -0.04 1.46 1.43 2fk5B1 LYS 116 HG3 -0.06 -0.01 -0.49 -0.04 1.46 0.86 2fk5B1 LYS 116 HD2 -0.04 0.03 -0.02 -0.04 1.69 1.61 2fk5B1 LYS 116 HD3 -0.05 -0.07 0.01 -0.04 1.68 1.54 2fk5B1 LYS 116 HE2 -0.12 -0.04 0.01 -0.04 2.99 2.80 2fk5B1 LYS 116 HE3 -0.12 0.08 -0.03 -0.04 2.99 2.87 2fk5B1 GLU 117 H 0.06 0.65 0.27 -0.55 8.60 9.04 2fk5B1 GLU 117 HA 0.00 0.15 0.57 -0.75 4.29 4.25 2fk5B1 GLU 117 HB2 0.00 -0.06 -0.04 -0.04 2.09 1.95 2fk5B1 GLU 117 HB3 0.02 0.03 -0.21 -0.04 1.99 1.80 2fk5B1 GLU 117 HG2 0.13 0.00 0.00 -0.04 2.34 2.43 2fk5B1 GLU 117 HG3 0.05 0.02 -0.23 -0.04 2.34 2.14 2fk5B1 VAL 118 H -0.03 0.64 0.20 -0.55 8.24 8.50 2fk5B1 VAL 118 HA -0.08 0.37 0.98 -0.75 4.13 4.64 2fk5B1 VAL 118 HB -0.04 -0.11 0.15 -0.04 2.12 2.08 2fk5B1 VAL 118 HG13 -0.05 0.02 -0.29 -0.04 0.97 0.61 2fk5B1 VAL 118 HG23 -0.02 0.00 -0.16 -0.04 0.95 0.73 2fk5B1 PRO 119 HA -0.13 0.10 0.68 -0.51 4.44 4.58 2fk5B1 PRO 119 HB2 -0.17 0.04 0.01 -0.04 2.28 2.11 2fk5B1 PRO 119 HB3 -0.35 0.03 0.12 -0.04 2.02 1.78 2fk5B1 PRO 119 HG2 -0.20 -0.11 0.19 -0.04 2.03 1.88 2fk5B1 PRO 119 HG3 -0.55 0.08 0.12 -0.04 2.03 1.63 2fk5B1 PRO 119 HD2 -0.24 0.39 0.49 -0.04 3.68 4.28 2fk5B1 PRO 119 HD3 -0.80 0.20 0.21 -0.04 3.65 3.22 2fk5B1 VAL 120 H -0.07 0.64 0.25 -0.55 8.24 8.51 2fk5B1 VAL 120 HA -0.06 0.11 0.93 -0.75 4.13 4.36 2fk5B1 VAL 120 HB -0.04 0.05 0.03 -0.04 2.12 2.11 2fk5B1 VAL 120 HG13 -0.07 0.04 -0.12 -0.04 0.97 0.78 2fk5B1 VAL 120 HG23 -0.05 -0.03 -0.31 -0.04 0.95 0.52 2fk5B1 LEU 121 H -0.04 0.93 0.41 -0.55 8.37 9.12 2fk5B1 LEU 121 HA -0.03 0.12 0.84 -0.75 4.35 4.53 2fk5B1 LEU 121 HB2 -0.02 -0.04 0.14 -0.04 1.64 1.68 2fk5B1 LEU 121 HB3 -0.03 -0.06 0.02 -0.04 1.64 1.53 2fk5B1 LEU 121 HG -0.05 0.08 -0.11 -0.04 1.64 1.51 2fk5B1 LEU 121 HD13 -0.05 -0.03 -0.20 -0.04 0.93 0.61 2fk5B1 LEU 121 HD23 -0.05 0.01 -0.11 -0.04 0.89 0.70 2fk5B1 ALA 122 H -0.02 0.14 0.06 -0.55 8.40 8.03 2fk5B1 ALA 122 HA -0.01 0.21 0.90 -0.75 4.34 4.69 2fk5B1 ALA 122 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 2fk5B1 PRO 123 HA -0.01 0.05 0.50 -0.51 4.44 4.47 2fk5B1 PRO 123 HB2 -0.02 -0.06 -0.05 -0.04 2.28 2.11 2fk5B1 PRO 123 HB3 -0.02 0.01 0.04 -0.04 2.02 2.00 2fk5B1 PRO 123 HG2 -0.01 0.15 -0.15 -0.04 2.03 1.98 2fk5B1 PRO 123 HG3 -0.02 -0.01 0.00 -0.04 2.03 1.96 2fk5B1 PRO 123 HD2 -0.00 0.20 -0.23 -0.04 3.68 3.61 2fk5B1 PRO 123 HD3 -0.02 0.02 -0.13 -0.04 3.65 3.49 2fk5B1 LYS 124 H -0.01 0.07 0.12 -0.55 8.42 8.05 2fk5B1 LYS 124 HA 0.00 0.11 0.31 -0.75 4.32 3.99 2fk5B1 LYS 124 HB2 -0.00 0.02 0.14 -0.04 1.87 1.99 2fk5B1 LYS 124 HB3 -0.00 -0.11 0.08 -0.04 1.79 1.72 2fk5B1 LYS 124 HG2 -0.00 -0.01 -0.14 -0.04 1.46 1.26 2fk5B1 LYS 124 HG3 0.00 0.05 0.05 -0.04 1.46 1.51 2fk5B1 LYS 124 HD2 -0.00 0.01 0.02 -0.04 1.69 1.68 2fk5B1 LYS 124 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.58 2fk5B1 LYS 124 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 2fk5B1 LYS 124 HE3 0.00 0.03 0.00 -0.04 2.99 2.98 2fk5B1 THR 125 H -0.01 0.02 -0.21 -0.55 8.28 7.53 2fk5B1 THR 125 HA -0.02 0.23 0.84 -0.75 4.39 4.69 2fk5B1 THR 125 HB -0.02 0.02 -0.01 -0.04 4.32 4.27 2fk5B1 THR 125 HG23 -0.01 0.02 -0.10 -0.04 1.22 1.09 2fk5B1 VAL 126 H -0.06 0.15 0.09 -0.55 8.24 7.86 2fk5B1 VAL 126 HA -0.01 0.20 0.89 -0.75 4.13 4.46 2fk5B1 VAL 126 HB 0.08 -0.04 0.04 -0.04 2.12 2.15 2fk5B1 VAL 126 HG13 0.00 0.07 -0.24 -0.04 0.97 0.77 2fk5B1 VAL 126 HG23 -0.24 0.01 -0.16 -0.04 0.95 0.51 2fk5B1 SER 127 H -0.08 0.11 0.02 -0.55 8.46 7.97 2fk5B1 SER 127 HA 0.04 0.17 0.94 -0.75 4.49 4.88 2fk5B1 SER 127 HB2 -0.48 0.10 -0.17 -0.04 3.95 3.36 2fk5B1 SER 127 HB3 -0.15 0.01 0.01 -0.04 3.93 3.76 2fk5B1 ALA 128 H 0.07 0.14 0.05 -0.55 8.40 8.11 2fk5B1 ALA 128 HA 0.05 0.01 0.35 -0.75 4.34 4.00 2fk5B1 ALA 128 HB3 0.05 0.02 0.01 -0.04 1.41 1.44 2fk5B1 THR 129 H 0.01 0.11 -0.21 -0.55 8.28 7.64 2fk5B1 THR 129 HA 0.01 0.30 0.81 -0.75 4.39 4.75 2fk5B1 THR 129 HB -0.00 -0.05 0.09 -0.04 4.32 4.31 2fk5B1 THR 129 HG23 -0.00 0.15 -0.20 -0.04 1.22 1.13 2fk5B1 GLU 130 H -0.00 0.27 0.12 -0.55 8.60 8.44 2fk5B1 GLU 130 HA -0.01 0.14 0.40 -0.75 4.29 4.07 2fk5B1 GLU 130 HB2 -0.00 -0.00 0.07 -0.04 2.09 2.11 2fk5B1 GLU 130 HB3 -0.01 0.08 0.02 -0.04 1.99 2.04 2fk5B1 GLU 130 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 2fk5B1 GLU 130 HG3 0.01 -0.04 0.03 -0.04 2.34 2.29 2fk5B1 GLU 131 H -0.01 0.04 -0.23 -0.55 8.60 7.85 2fk5B1 GLU 131 HA -0.02 0.14 0.39 -0.75 4.29 4.05 2fk5B1 GLU 131 HB2 -0.01 0.04 0.06 -0.04 2.09 2.14 2fk5B1 GLU 131 HB3 -0.01 -0.07 0.03 -0.04 1.99 1.89 2fk5B1 GLU 131 HG2 -0.02 0.12 -0.20 -0.04 2.34 2.19 2fk5B1 GLU 131 HG3 -0.02 0.05 0.02 -0.04 2.34 2.35 2fk5B1 ALA 132 H -0.02 -0.02 -0.36 -0.55 8.40 7.45 2fk5B1 ALA 132 HA -0.04 0.16 0.33 -0.75 4.34 4.04 2fk5B1 ALA 132 HB3 -0.02 0.02 -0.29 -0.04 1.41 1.07 2fk5B1 ALA 133 H -0.05 0.42 -0.35 -0.55 8.40 7.87 2fk5B1 ALA 133 HA -0.17 -0.01 0.31 -0.75 4.34 3.72 2fk5B1 ALA 133 HB3 -0.06 0.01 -0.06 -0.04 1.41 1.27 2fk5B1 LEU 134 H -0.05 0.58 -0.20 -0.55 8.37 8.15 2fk5B1 LEU 134 HA -0.06 0.06 0.40 -0.75 4.35 3.99 2fk5B1 LEU 134 HB2 -0.03 0.00 0.10 -0.04 1.64 1.66 2fk5B1 LEU 134 HB3 -0.04 0.04 0.12 -0.04 1.64 1.72 2fk5B1 LEU 134 HG -0.03 0.01 -0.23 -0.04 1.64 1.34 2fk5B1 LEU 134 HD13 -0.03 -0.00 0.04 -0.04 0.93 0.89 2fk5B1 LEU 134 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 2fk5B1 SER 135 H -0.06 0.44 -0.17 -0.55 8.46 8.11 2fk5B1 SER 135 HA -0.05 0.03 0.41 -0.75 4.49 4.13 2fk5B1 SER 135 HB2 -0.04 -0.01 0.11 -0.04 3.95 3.97 2fk5B1 SER 135 HB3 -0.06 0.09 0.15 -0.04 3.93 4.07 2fk5B1 VAL 136 H -0.14 0.62 -0.09 -0.55 8.24 8.09 2fk5B1 VAL 136 HA -0.15 0.02 0.36 -0.75 4.13 3.61 2fk5B1 VAL 136 HB -0.38 0.05 0.06 -0.04 2.12 1.81 2fk5B1 VAL 136 HG13 -0.71 -0.01 -0.23 -0.04 0.97 -0.03 2fk5B1 VAL 136 HG23 -0.30 0.01 -0.04 -0.04 0.95 0.57 2fk5B1 ALA 137 H -0.17 0.64 -0.14 -0.55 8.40 8.18 2fk5B1 ALA 137 HA -0.17 -0.01 0.27 -0.75 4.34 3.68 2fk5B1 ALA 137 HB3 -0.11 0.00 -0.09 -0.04 1.41 1.16 2fk5B1 GLU 138 H -0.07 0.52 -0.21 -0.55 8.60 8.30 2fk5B1 GLU 138 HA -0.04 0.07 0.44 -0.75 4.29 4.01 2fk5B1 GLU 138 HB2 -0.03 0.08 0.12 -0.04 2.09 2.22 2fk5B1 GLU 138 HB3 -0.02 -0.06 0.02 -0.04 1.99 1.90 2fk5B1 GLU 138 HG2 -0.04 0.14 0.08 -0.04 2.34 2.48 2fk5B1 GLU 138 HG3 -0.02 -0.08 0.01 -0.04 2.34 2.20 2fk5B1 ALA 139 H -0.05 0.46 -0.19 -0.55 8.40 8.08 2fk5B1 ALA 139 HA 0.07 0.02 0.50 -0.75 4.34 4.18 2fk5B1 ALA 139 HB3 -0.03 0.01 0.09 -0.04 1.41 1.44 2fk5B1 LEU 140 H -0.05 0.59 -0.14 -0.55 8.37 8.22 2fk5B1 LEU 140 HA 0.03 0.22 0.47 -0.75 4.35 4.32 2fk5B1 LEU 140 HB2 -0.10 0.05 0.00 -0.04 1.64 1.55 2fk5B1 LEU 140 HB3 -0.05 -0.04 0.08 -0.04 1.64 1.59 2fk5B1 LEU 140 HG -0.10 0.12 -0.05 -0.04 1.64 1.57 2fk5B1 LEU 140 HD13 -0.16 -0.05 -0.18 -0.04 0.93 0.50 2fk5B1 LEU 140 HD23 0.01 0.00 -0.35 -0.04 0.89 0.51 2fk5B1 ARG 141 H -0.02 0.27 -0.78 -0.55 8.46 7.37 2fk5B1 ARG 141 HA -0.03 0.02 0.56 -0.75 4.34 4.13 2fk5B1 ARG 141 HB2 -0.02 0.20 0.15 -0.04 1.90 2.19 2fk5B1 ARG 141 HB3 -0.03 -0.09 0.04 -0.04 1.80 1.68 2fk5B1 ARG 141 HG2 -0.03 0.06 -0.02 -0.04 1.67 1.63 2fk5B1 ARG 141 HG3 -0.04 0.24 0.03 -0.04 1.67 1.86 2fk5B1 ARG 141 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.11 2fk5B1 ARG 141 HD3 -0.02 -0.06 0.05 -0.04 3.22 3.15 2fk5B1 GLU 142 H -0.02 0.32 -0.08 -0.55 8.60 8.28 2fk5B1 GLU 142 HA -0.14 0.18 0.96 -0.75 4.29 4.54 2fk5B1 GLU 142 HB2 -0.19 0.06 0.11 -0.04 2.09 2.03 2fk5B1 GLU 142 HB3 -0.35 -0.06 0.14 -0.04 1.99 1.68 2fk5B1 GLU 142 HG2 -0.06 -0.01 -0.15 -0.04 2.34 2.08 2fk5B1 GLU 142 HG3 -0.07 -0.06 0.01 -0.04 2.34 2.17 2fk5B1 HIS 143 H 0.02 0.28 0.12 -0.55 8.41 8.27 2fk5B1 HIS 143 HA -0.02 0.17 0.99 -0.75 4.63 5.01 2fk5B1 HIS 143 HB2 -0.03 0.00 0.04 -0.04 3.26 3.24 2fk5B1 HIS 143 HB3 -0.02 0.03 0.29 -0.04 3.20 3.46 2fk5B1 HIS 143 HD2 -0.02 0.13 0.18 -0.04 6.97 7.21 2fk5B1 HIS 143 HE1 -0.02 -0.07 0.01 -0.04 7.75 7.62 2fk5B1 ARG 144 H 0.07 0.24 0.26 -0.55 8.46 8.48 2fk5B1 ARG 144 HA 0.02 0.13 0.67 -0.75 4.34 4.41 2fk5B1 ARG 144 HB2 0.04 0.10 0.24 -0.04 1.90 2.23 2fk5B1 ARG 144 HB3 0.02 -0.07 0.19 -0.04 1.80 1.90 2fk5B1 ARG 144 HG2 0.01 0.02 0.04 -0.04 1.67 1.69 2fk5B1 ARG 144 HG3 0.03 0.05 0.10 -0.04 1.67 1.81 2fk5B1 ARG 144 HD2 0.01 0.07 -0.03 -0.04 3.22 3.22 2fk5B1 ARG 144 HD3 0.00 -0.02 -0.05 -0.04 3.22 3.12 2fk5B1 ALA 145 H 0.06 0.25 0.07 -0.55 8.40 8.24 2fk5B1 ALA 145 HA 0.03 0.22 0.83 -0.75 4.34 4.67 2fk5B1 ALA 145 HB3 -0.00 -0.02 0.02 -0.04 1.41 1.37 2fk5B1 CYS 146 H 0.04 0.51 0.39 -0.55 8.50 8.88 2fk5B1 CYS 146 HA -0.06 0.19 0.73 -0.75 4.58 4.69 2fk5B1 CYS 146 HB2 -0.05 0.08 0.08 -0.04 2.97 3.04 2fk5B1 CYS 146 HB3 -0.03 0.08 -0.22 -0.04 2.97 2.75 2fk5B1 LEU 147 H -0.05 0.88 0.35 -0.55 8.37 9.01 2fk5B1 LEU 147 HA -0.01 0.17 1.13 -0.75 4.35 4.88 2fk5B1 LEU 147 HB2 -0.06 0.09 0.06 -0.04 1.64 1.69 2fk5B1 LEU 147 HB3 -0.07 0.00 -0.09 -0.04 1.64 1.45 2fk5B1 LEU 147 HG -0.05 -0.06 -0.23 -0.04 1.64 1.27 2fk5B1 LEU 147 HD13 -0.06 0.00 -0.16 -0.04 0.93 0.68 2fk5B1 LEU 147 HD23 -0.07 0.01 -0.21 -0.04 0.89 0.57 2fk5B1 LEU 148 H 0.02 0.72 0.35 -0.55 8.37 8.91 2fk5B1 LEU 148 HA 0.02 0.22 0.93 -0.75 4.35 4.76 2fk5B1 LEU 148 HB2 0.17 -0.15 0.17 -0.04 1.64 1.78 2fk5B1 LEU 148 HB3 0.16 0.05 0.03 -0.04 1.64 1.84 2fk5B1 LEU 148 HG 0.14 -0.03 -0.20 -0.04 1.64 1.52 2fk5B1 LEU 148 HD13 0.30 0.02 -0.04 -0.04 0.93 1.18 2fk5B1 LEU 148 HD23 0.03 0.01 -0.00 -0.04 0.89 0.89 2fk5B1 ARG 149 H -0.04 0.81 0.22 -0.55 8.46 8.89 2fk5B1 ARG 149 HA -0.23 -0.06 0.27 -0.75 4.34 3.56 2fk5B1 ARG 149 HB2 -0.09 0.08 -0.04 -0.04 1.90 1.81 2fk5B1 ARG 149 HB3 -0.06 -0.04 0.12 -0.04 1.80 1.79 2fk5B1 ARG 149 HG2 -0.10 -0.06 -0.26 -0.04 1.67 1.20 2fk5B1 ARG 149 HG3 -0.42 -0.04 -0.25 -0.04 1.67 0.92 2fk5B1 ARG 149 HD2 -0.00 -0.07 -0.05 -0.04 3.22 3.05 2fk5B1 ARG 149 HD3 0.07 -0.03 -0.03 -0.04 3.22 3.18 2fk5B1 GLY 150 H -0.55 0.15 0.14 -0.55 8.43 7.61 2fk5B1 GLY 150 HA2 -0.40 0.01 0.31 -0.51 4.01 3.42 2fk5B1 GLY 150 HA3 -0.05 0.07 0.41 -0.51 4.01 3.93 2fk5B1 HIS 151 H 0.05 0.58 -0.29 -0.55 8.41 8.21 2fk5B1 HIS 151 HA 0.11 0.17 0.99 -0.75 4.63 5.15 2fk5B1 HIS 151 HB2 0.07 0.02 -0.15 -0.04 3.26 3.16 2fk5B1 HIS 151 HB3 0.07 -0.03 0.08 -0.04 3.20 3.28 2fk5B1 HIS 151 HD2 0.21 0.04 0.00 -0.04 6.97 7.18 2fk5B1 HIS 151 HE1 0.11 -0.11 -0.06 -0.04 7.75 7.65 2fk5B1 GLY 152 H 0.02 0.33 0.27 -0.55 8.43 8.51 2fk5B1 GLY 152 HA2 -0.15 0.01 0.44 -0.51 4.01 3.81 2fk5B1 GLY 152 HA3 -0.48 0.17 0.57 -0.51 4.01 3.76 2fk5B1 ALA 153 H -0.36 0.58 0.41 -0.55 8.40 8.50 2fk5B1 ALA 153 HA 0.01 0.19 1.05 -0.75 4.34 4.83 2fk5B1 ALA 153 HB3 -0.09 -0.00 -0.03 -0.04 1.41 1.25 2fk5B1 PHE 154 H 0.14 0.62 0.43 -0.55 8.34 8.97 2fk5B1 PHE 154 HA -0.01 0.30 1.09 -0.75 4.62 5.24 2fk5B1 PHE 154 HB2 -0.09 0.00 0.09 -0.04 3.15 3.11 2fk5B1 PHE 154 HB3 -0.12 0.04 -0.05 -0.04 3.06 2.89 2fk5B1 PHE 154 HD2 -0.19 0.01 -0.17 -0.04 7.28 6.89 2fk5B1 PHE 154 HE2 -0.43 -0.01 -0.14 -0.04 7.38 6.76 2fk5B1 PHE 154 HZ -0.39 -0.10 -0.08 -0.04 7.32 6.71 2fk5B1 ALA 155 H 0.05 0.44 0.40 -0.55 8.40 8.74 2fk5B1 ALA 155 HA 0.02 0.30 1.07 -0.75 4.34 4.98 2fk5B1 ALA 155 HB3 -0.03 -0.02 0.02 -0.04 1.41 1.34 2fk5B1 VAL 156 H 0.01 0.78 0.41 -0.55 8.24 8.89 2fk5B1 VAL 156 HA 0.01 0.20 1.15 -0.75 4.13 4.74 2fk5B1 VAL 156 HB 0.00 0.09 0.21 -0.04 2.12 2.38 2fk5B1 VAL 156 HG13 0.01 -0.03 -0.13 -0.04 0.97 0.78 2fk5B1 VAL 156 HG23 -0.04 0.01 -0.05 -0.04 0.95 0.83 2fk5B1 GLY 157 H 0.04 0.60 0.42 -0.55 8.43 8.95 2fk5B1 GLY 157 HA2 0.02 0.13 0.89 -0.51 4.01 4.54 2fk5B1 GLY 157 HA3 0.03 0.16 0.41 -0.51 4.01 4.10 2fk5B1 LEU 158 H 0.03 0.07 0.20 -0.55 8.37 8.12 2fk5B1 LEU 158 HA 0.05 0.24 1.13 -0.75 4.35 5.01 2fk5B1 LEU 158 HB2 0.03 -0.04 0.03 -0.04 1.64 1.62 2fk5B1 LEU 158 HB3 0.03 0.04 0.07 -0.04 1.64 1.74 2fk5B1 LEU 158 HG 0.02 -0.04 -0.31 -0.04 1.64 1.27 2fk5B1 LEU 158 HD13 0.01 0.02 -0.06 -0.04 0.93 0.86 2fk5B1 LEU 158 HD23 0.03 0.03 -0.14 -0.04 0.89 0.77 2fk5B1 LYS 159 H 0.03 -0.07 0.07 -0.55 8.42 7.89 2fk5B1 LYS 159 HA 0.03 0.07 0.37 -0.75 4.32 4.03 2fk5B1 LYS 159 HB2 0.02 -0.04 -0.19 -0.04 1.87 1.62 2fk5B1 LYS 159 HB3 0.02 -0.09 -0.02 -0.04 1.79 1.67 2fk5B1 LYS 159 HG2 0.03 0.05 0.03 -0.04 1.46 1.53 2fk5B1 LYS 159 HG3 0.03 -0.04 0.06 -0.04 1.46 1.46 2fk5B1 LYS 159 HD2 0.01 0.11 -0.17 -0.04 1.69 1.60 2fk5B1 LYS 159 HD3 0.02 -0.05 -0.04 -0.04 1.68 1.57 2fk5B1 LYS 159 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 2fk5B1 LYS 159 HE3 0.02 0.01 -0.01 -0.04 2.99 2.96 2fk5B1 GLU 160 H 0.02 0.06 0.16 -0.55 8.60 8.29 2fk5B1 GLU 160 HA 0.03 0.21 0.40 -0.75 4.29 4.17 2fk5B1 GLU 160 HB2 0.02 0.06 0.15 -0.04 2.09 2.27 2fk5B1 GLU 160 HB3 0.02 -0.13 0.16 -0.04 1.99 2.00 2fk5B1 GLU 160 HG2 0.02 -0.03 -0.24 -0.04 2.34 2.05 2fk5B1 GLU 160 HG3 0.02 0.07 0.03 -0.04 2.34 2.42 2fk5B1 ALA 161 H 0.02 0.00 -0.04 -0.55 8.40 7.84 2fk5B1 ALA 161 HA 0.03 0.20 0.53 -0.75 4.34 4.34 2fk5B1 ALA 161 HB3 0.02 -0.02 0.09 -0.04 1.41 1.47 2fk5B1 PRO 162 HA 0.05 0.21 0.42 -0.51 4.44 4.61 2fk5B1 PRO 162 HB2 0.09 -0.11 0.10 -0.04 2.28 2.32 2fk5B1 PRO 162 HB3 0.10 0.12 0.12 -0.04 2.02 2.31 2fk5B1 PRO 162 HG2 0.05 -0.01 0.15 -0.04 2.03 2.18 2fk5B1 PRO 162 HG3 0.05 0.28 0.19 -0.04 2.03 2.50 2fk5B1 PRO 162 HD2 0.04 -0.02 0.25 -0.04 3.68 3.91 2fk5B1 PRO 162 HD3 0.03 0.31 0.37 -0.04 3.65 4.32 2fk5B1 GLU 163 H 0.04 0.13 -0.16 -0.55 8.60 8.07 2fk5B1 GLU 163 HA 0.01 0.11 0.39 -0.75 4.29 4.05 2fk5B1 GLU 163 HB2 0.01 0.02 -0.08 -0.04 2.09 2.01 2fk5B1 GLU 163 HB3 0.01 0.06 0.00 -0.04 1.99 2.03 2fk5B1 GLU 163 HG2 0.04 0.01 -0.14 -0.04 2.34 2.21 2fk5B1 GLU 163 HG3 0.07 -0.00 -0.03 -0.04 2.34 2.34 2fk5B1 GLU 164 H 0.02 0.11 -0.32 -0.55 8.60 7.85 2fk5B1 GLU 164 HA -0.00 0.08 0.46 -0.75 4.29 4.07 2fk5B1 GLU 164 HB2 0.02 0.09 0.04 -0.04 2.09 2.19 2fk5B1 GLU 164 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 2fk5B1 GLU 164 HG2 0.01 0.04 -0.03 -0.04 2.34 2.32 2fk5B1 GLU 164 HG3 0.01 -0.09 -0.01 -0.04 2.34 2.21 2fk5B1 ALA 165 H 0.02 0.62 -0.21 -0.55 8.40 8.29 2fk5B1 ALA 165 HA 0.02 -0.13 0.41 -0.75 4.34 3.89 2fk5B1 ALA 165 HB3 0.04 0.13 -0.18 -0.04 1.41 1.37 2fk5B1 LEU 166 H -0.02 0.55 -0.23 -0.55 8.37 8.12 2fk5B1 LEU 166 HA -0.04 0.04 0.41 -0.75 4.35 4.01 2fk5B1 LEU 166 HB2 -0.15 0.08 0.07 -0.04 1.64 1.60 2fk5B1 LEU 166 HB3 -0.14 0.07 0.09 -0.04 1.64 1.62 2fk5B1 LEU 166 HG -0.29 -0.03 -0.26 -0.04 1.64 1.03 2fk5B1 LEU 166 HD13 -0.21 0.00 -0.04 -0.04 0.93 0.64 2fk5B1 LEU 166 HD23 -0.74 -0.02 -0.23 -0.04 0.89 -0.14 2fk5B1 LEU 167 H -0.04 0.48 -0.16 -0.55 8.37 8.10 2fk5B1 LEU 167 HA -0.01 0.03 0.42 -0.75 4.35 4.04 2fk5B1 LEU 167 HB2 -0.02 0.06 0.12 -0.04 1.64 1.76 2fk5B1 LEU 167 HB3 0.00 -0.03 0.03 -0.04 1.64 1.60 2fk5B1 LEU 167 HG -0.07 0.19 0.10 -0.04 1.64 1.82 2fk5B1 LEU 167 HD13 -0.04 -0.03 -0.06 -0.04 0.93 0.76 2fk5B1 LEU 167 HD23 -0.15 -0.01 -0.01 -0.04 0.89 0.68 2fk5B1 GLU 168 H -0.00 0.36 -0.48 -0.55 8.60 7.93 2fk5B1 GLU 168 HA -0.04 0.03 0.47 -0.75 4.29 4.00 2fk5B1 GLU 168 HB2 -0.00 0.10 0.17 -0.04 2.09 2.32 2fk5B1 GLU 168 HB3 0.00 0.08 0.25 -0.04 1.99 2.28 2fk5B1 GLU 168 HG2 -0.02 0.09 -0.04 -0.04 2.34 2.33 2fk5B1 GLU 168 HG3 -0.02 -0.00 0.08 -0.04 2.34 2.36 2fk5B1 ALA 169 H -0.00 0.54 -0.11 -0.55 8.40 8.27 2fk5B1 ALA 169 HA -0.02 0.13 0.13 -0.75 4.34 3.82 2fk5B1 ALA 169 HB3 0.01 0.04 -0.11 -0.04 1.41 1.30 2fk5B1 TYR 170 H 0.05 0.58 -0.26 -0.55 8.29 8.10 2fk5B1 TYR 170 HA -0.13 0.00 0.38 -0.75 4.56 4.06 2fk5B1 TYR 170 HB2 -0.22 -0.02 0.06 -0.04 3.06 2.84 2fk5B1 TYR 170 HB3 -0.14 0.09 0.15 -0.04 2.98 3.03 2fk5B1 TYR 170 HD2 -0.13 0.06 -0.03 -0.04 7.15 7.01 2fk5B1 TYR 170 HE2 -0.08 -0.00 -0.16 -0.04 6.85 6.57 2fk5B1 GLY 171 H -0.07 0.51 -0.30 -0.55 8.43 8.03 2fk5B1 GLY 171 HA2 -0.47 -0.02 0.37 -0.51 4.01 3.38 2fk5B1 GLY 171 HA3 -0.21 0.10 0.29 -0.51 4.01 3.68 2fk5B1 LEU 172 H -0.16 0.52 -0.24 -0.55 8.37 7.95 2fk5B1 LEU 172 HA -0.14 -0.00 0.42 -0.75 4.35 3.87 2fk5B1 LEU 172 HB2 -0.07 0.12 0.11 -0.04 1.64 1.75 2fk5B1 LEU 172 HB3 -0.04 -0.03 -0.03 -0.04 1.64 1.49 2fk5B1 LEU 172 HG -0.09 0.11 0.05 -0.04 1.64 1.67 2fk5B1 LEU 172 HD13 0.00 0.03 0.06 -0.04 0.93 0.98 2fk5B1 LEU 172 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2fk5B1 MET 173 H -0.18 0.50 -0.29 -0.55 8.47 7.95 2fk5B1 MET 173 HA -0.11 0.03 0.39 -0.75 4.52 4.08 2fk5B1 MET 173 HB2 -0.11 0.09 0.04 -0.04 2.15 2.13 2fk5B1 MET 173 HB3 -0.20 0.14 0.10 -0.04 2.03 2.04 2fk5B1 MET 173 HG2 -0.10 -0.01 -0.14 -0.04 2.63 2.34 2fk5B1 MET 173 HG3 -0.12 -0.06 -0.21 -0.04 2.56 2.13 2fk5B1 MET 173 HE3 -0.12 -0.03 -0.30 -0.04 2.10 1.61 2fk5B1 THR 174 H -0.38 0.56 -0.10 -0.55 8.28 7.81 2fk5B1 THR 174 HA -0.17 0.01 0.43 -0.75 4.39 3.90 2fk5B1 THR 174 HB -0.19 -0.05 0.03 -0.04 4.32 4.07 2fk5B1 THR 174 HG23 -0.62 0.08 -0.00 -0.04 1.22 0.64 2fk5B1 THR 175 H -0.18 0.57 -0.30 -0.55 8.28 7.83 2fk5B1 THR 175 HA -0.07 -0.04 0.40 -0.75 4.39 3.93 2fk5B1 THR 175 HB -0.08 0.17 0.13 -0.04 4.32 4.50 2fk5B1 THR 175 HG23 0.04 -0.03 -0.21 -0.04 1.22 0.98 2fk5B1 LEU 176 H -0.09 0.55 -0.30 -0.55 8.37 7.99 2fk5B1 LEU 176 HA -0.04 0.01 0.36 -0.75 4.35 3.93 2fk5B1 LEU 176 HB2 -0.05 0.08 0.06 -0.04 1.64 1.69 2fk5B1 LEU 176 HB3 -0.08 0.18 0.17 -0.04 1.64 1.88 2fk5B1 LEU 176 HG -0.06 -0.09 -0.34 -0.04 1.64 1.10 2fk5B1 LEU 176 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.77 2fk5B1 LEU 176 HD23 -0.06 0.01 -0.12 -0.04 0.89 0.69 2fk5B1 GLU 177 H -0.08 0.55 -0.08 -0.55 8.60 8.45 2fk5B1 GLU 177 HA -0.06 -0.07 0.42 -0.75 4.29 3.83 2fk5B1 GLU 177 HB2 -0.07 0.00 0.12 -0.04 2.09 2.11 2fk5B1 GLU 177 HB3 -0.07 0.15 0.12 -0.04 1.99 2.16 2fk5B1 GLU 177 HG2 -0.04 0.13 0.01 -0.04 2.34 2.39 2fk5B1 GLU 177 HG3 -0.04 0.04 -0.15 -0.04 2.34 2.14 2fk5B1 GLU 178 H -0.06 0.62 -0.22 -0.55 8.60 8.39 2fk5B1 GLU 178 HA -0.03 0.02 0.44 -0.75 4.29 3.97 2fk5B1 GLU 178 HB2 -0.03 0.09 0.15 -0.04 2.09 2.26 2fk5B1 GLU 178 HB3 -0.01 -0.09 0.02 -0.04 1.99 1.87 2fk5B1 GLU 178 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 2fk5B1 GLU 178 HG3 -0.05 0.33 0.11 -0.04 2.34 2.69 2fk5B1 SER 179 H -0.04 0.70 -0.15 -0.55 8.46 8.43 2fk5B1 SER 179 HA -0.02 -0.09 0.48 -0.75 4.49 4.10 2fk5B1 SER 179 HB2 -0.03 0.21 0.15 -0.04 3.95 4.24 2fk5B1 SER 179 HB3 -0.02 -0.08 0.01 -0.04 3.93 3.79 2fk5B1 ALA 180 H -0.05 0.59 -0.20 -0.55 8.40 8.19 2fk5B1 ALA 180 HA -0.05 0.05 0.37 -0.75 4.34 3.95 2fk5B1 ALA 180 HB3 -0.05 0.03 -0.04 -0.04 1.41 1.30 2fk5B1 GLN 181 H -0.10 0.65 -0.12 -0.55 8.47 8.35 2fk5B1 GLN 181 HA -0.38 -0.00 0.45 -0.75 4.36 3.67 2fk5B1 GLN 181 HB2 -0.10 0.12 0.21 -0.04 2.15 2.34 2fk5B1 GLN 181 HB3 -0.36 -0.03 0.04 -0.04 2.02 1.63 2fk5B1 GLN 181 HG2 -0.17 -0.05 0.05 -0.04 2.40 2.20 2fk5B1 GLN 181 HG3 -0.10 0.04 0.09 -0.04 2.39 2.38 2fk5B1 GLN 181 HE21 0.01 0.08 0.00 -0.04 6.97 7.02 2fk5B1 GLN 181 HE22 -0.01 -0.09 0.02 -0.04 7.69 7.57 2fk5B1 ILE 182 H -0.08 0.60 -0.11 -0.55 8.25 8.11 2fk5B1 ILE 182 HA 0.11 0.01 0.44 -0.75 4.18 3.98 2fk5B1 ILE 182 HB -0.01 0.06 0.21 -0.04 1.89 2.11 2fk5B1 ILE 182 HG12 0.08 -0.02 0.04 -0.04 1.49 1.56 2fk5B1 ILE 182 HG13 0.05 0.08 0.08 -0.04 1.21 1.38 2fk5B1 ILE 182 HG23 0.02 -0.02 -0.10 -0.04 0.93 0.79 2fk5B1 ILE 182 HD13 0.01 -0.03 -0.03 -0.04 0.88 0.79 2fk5B1 LEU 183 H -0.06 0.57 -0.16 -0.55 8.37 8.18 2fk5B1 LEU 183 HA -0.01 -0.00 0.46 -0.75 4.35 4.04 2fk5B1 LEU 183 HB2 -0.04 0.13 0.18 -0.04 1.64 1.87 2fk5B1 LEU 183 HB3 -0.01 -0.00 -0.01 -0.04 1.64 1.57 2fk5B1 LEU 183 HG -0.05 -0.07 0.08 -0.04 1.64 1.57 2fk5B1 LEU 183 HD13 -0.03 -0.00 -0.19 -0.04 0.93 0.67 2fk5B1 LEU 183 HD23 -0.07 0.04 0.04 -0.04 0.89 0.87 2fk5B1 LEU 184 H -0.12 0.51 -0.18 -0.55 8.37 8.04 2fk5B1 LEU 184 HA 0.01 0.04 0.46 -0.75 4.35 4.11 2fk5B1 LEU 184 HB2 -0.08 0.01 0.10 -0.04 1.64 1.63 2fk5B1 LEU 184 HB3 -0.31 0.09 0.21 -0.04 1.64 1.60 2fk5B1 LEU 184 HG 0.02 -0.02 -0.25 -0.04 1.64 1.36 2fk5B1 LEU 184 HD13 0.03 -0.00 0.01 -0.04 0.93 0.93 2fk5B1 LEU 184 HD23 -0.07 -0.01 -0.01 -0.04 0.89 0.76 2fk5B1 TYR 185 H -0.20 0.70 0.04 -0.55 8.29 8.27 2fk5B1 TYR 185 HA 0.09 0.00 0.39 -0.75 4.56 4.29 2fk5B1 TYR 185 HB2 0.05 0.05 0.13 -0.04 3.06 3.25 2fk5B1 TYR 185 HB3 0.05 -0.04 0.03 -0.04 2.98 2.98 2fk5B1 TYR 185 HD2 0.03 -0.04 -0.06 -0.04 7.15 7.05 2fk5B1 TYR 185 HE2 0.02 -0.02 -0.03 -0.04 6.85 6.77 2fk5B1 HIS 186 H 0.24 0.59 -0.23 -0.55 8.41 8.47 2fk5B1 HIS 186 HA 0.09 -0.01 0.44 -0.75 4.63 4.40 2fk5B1 HIS 186 HB2 0.04 -0.02 0.13 -0.04 3.26 3.36 2fk5B1 HIS 186 HB3 0.04 0.14 0.21 -0.04 3.20 3.54 2fk5B1 HIS 186 HD2 -0.01 -0.04 0.01 -0.04 6.97 6.90 2fk5B1 HIS 186 HE1 0.04 0.01 -0.04 -0.04 7.75 7.71 2fk5B1 ARG 187 H 0.20 0.52 -0.13 -0.55 8.46 8.49 2fk5B1 ARG 187 HA 0.10 0.01 0.46 -0.75 4.34 4.16 2fk5B1 ARG 187 HB2 0.12 0.04 0.15 -0.04 1.90 2.18 2fk5B1 ARG 187 HB3 0.08 0.09 0.20 -0.04 1.80 2.14 2fk5B1 ARG 187 HG2 0.04 -0.01 -0.16 -0.04 1.67 1.50 2fk5B1 ARG 187 HG3 0.05 -0.03 0.05 -0.04 1.67 1.69 2fk5B1 ARG 187 HD2 0.03 -0.00 0.00 -0.04 3.22 3.21 2fk5B1 ARG 187 HD3 0.02 -0.00 -0.01 -0.04 3.22 3.19 2fk5B1 LEU 188 H 0.14 0.66 -0.03 -0.55 8.37 8.60 2fk5B1 LEU 188 HA 0.06 0.03 0.43 -0.75 4.35 4.12 2fk5B1 LEU 188 HB2 0.19 0.04 0.12 -0.04 1.64 1.94 2fk5B1 LEU 188 HB3 0.10 -0.04 0.01 -0.04 1.64 1.67 2fk5B1 LEU 188 HG 0.11 0.27 0.06 -0.04 1.64 2.04 2fk5B1 LEU 188 HD13 0.13 -0.03 -0.04 -0.04 0.93 0.95 2fk5B1 LEU 188 HD23 0.05 -0.02 -0.03 -0.04 0.89 0.85 2fk5B1 TRP 189 H 0.28 0.55 -0.17 -0.55 7.97 8.09 2fk5B1 TRP 189 HA -0.02 0.01 0.39 -0.75 4.62 4.25 2fk5B1 TRP 189 HB2 -0.01 -0.01 0.12 -0.04 3.23 3.29 2fk5B1 TRP 189 HB3 -0.07 0.12 0.17 -0.04 3.23 3.40 2fk5B1 TRP 189 HD1 -0.09 0.03 -0.24 -0.04 7.22 6.88 2fk5B1 TRP 189 HE1 -0.04 -0.02 -0.05 -0.04 10.20 10.05 2fk5B1 TRP 189 HE3 -0.03 0.01 0.00 -0.04 7.59 7.53 2fk5B1 TRP 189 HZ2 -0.02 -0.01 -0.01 -0.04 7.44 7.36 2fk5B1 TRP 189 HZ3 -0.03 -0.02 -0.01 -0.04 7.13 7.03 2fk5B1 TRP 189 HH2 -0.02 -0.03 -0.01 -0.04 7.19 7.10 2fk5B1 GLN 190 H 0.13 0.45 -0.16 -0.55 8.47 8.34 2fk5B1 GLN 190 HA 0.04 -0.01 0.42 -0.75 4.36 4.05 2fk5B1 GLN 190 HB2 -0.05 -0.03 0.13 -0.04 2.15 2.15 2fk5B1 GLN 190 HB3 -0.00 0.10 0.20 -0.04 2.02 2.27 2fk5B1 GLN 190 HG2 0.02 -0.04 -0.02 -0.04 2.40 2.32 2fk5B1 GLN 190 HG3 0.01 0.05 -0.26 -0.04 2.39 2.15 2fk5B1 GLN 190 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 2fk5B1 GLN 190 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 2fk5B1 GLY 191 H 0.01 0.58 -0.13 -0.55 8.43 8.35 2fk5B1 GLY 191 HA2 -0.02 0.01 0.42 -0.51 4.01 3.91 2fk5B1 GLY 191 HA3 -0.01 -0.02 0.33 -0.51 4.01 3.80 2fk5B1 ALA 192 H -0.11 0.36 -0.40 -0.55 8.40 7.70 2fk5B1 ALA 192 HA -0.10 0.05 0.57 -0.75 4.34 4.11 2fk5B1 ALA 192 HB3 -0.19 -0.02 0.10 -0.04 1.41 1.25 2fk5B1 GLY 193 H -0.15 0.34 -0.48 -0.55 8.43 7.59 2fk5B1 GLY 193 HA2 -0.17 0.11 0.45 -0.51 4.01 3.89 2fk5B1 GLY 193 HA3 -0.17 -0.06 0.27 -0.51 4.01 3.53 2fk5B1 PRO 194 HA -0.08 0.03 0.39 -0.51 4.44 4.27 2fk5B1 PRO 194 HB2 -0.03 -0.01 0.00 -0.04 2.28 2.20 2fk5B1 PRO 194 HB3 -0.03 0.01 0.11 -0.04 2.02 2.08 2fk5B1 PRO 194 HG2 -0.04 0.01 0.08 -0.04 2.03 2.04 2fk5B1 PRO 194 HG3 -0.02 -0.01 0.09 -0.04 2.03 2.04 2fk5B1 PRO 194 HD2 -0.04 0.13 0.36 -0.04 3.68 4.09 2fk5B1 PRO 194 HD3 -0.03 0.05 0.20 -0.04 3.65 3.83 2fk5B1 ALA 195 H -0.09 0.40 0.07 -0.55 8.40 8.23 2fk5B1 ALA 195 HA -0.07 0.08 0.25 -0.75 4.34 3.85 2fk5B1 ALA 195 HB3 -0.15 0.10 0.02 -0.04 1.41 1.34