============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 34 0.840 43.952 12.180 9.013 -99.200 -91.000 PHE 40 1.000 36.739 10.054 3.389 -99.200 -91.000 TYR 79 0.840 27.032 22.992 -12.423 -99.200 -91.000 HIS 86 0.900 25.853 21.973 -27.489 -99.200 -91.000 TYR 103 0.840 33.403 23.937 -19.218 -99.200 -91.000 PHE 125 1.000 37.958 1.843 -17.149 -99.200 -91.000 PHE 134 1.000 34.237 3.939 -9.282 -99.200 -91.000 HIS 171 0.900 52.048 1.907 -19.484 -99.200 -91.000 TRP 184 1.040 39.090 15.811 -22.625 -99.200 -91.000 TRP6 184 1.020 38.289 13.628 -23.076 -99.200 -91.000 TRP 203 1.040 55.246 22.674 -7.457 -99.200 -91.000 TRP6 203 1.020 54.823 21.139 -5.704 -99.200 -91.000 TYR 214 0.840 24.654 14.213 5.462 -99.200 -91.000 TRP 224 1.040 53.330 16.021 -14.568 -99.200 -91.000 TRP6 224 1.020 50.997 15.982 -14.964 -99.200 -91.000 TYR 236 0.840 37.578 11.227 -2.404 -99.200 -91.000 PHE 237 1.000 35.955 18.649 5.450 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hvfB1 THR 26 HA -0.00 -0.06 0.20 -0.75 4.39 3.78 3hvfB1 THR 26 HB 0.00 0.01 -0.04 -0.04 4.32 4.26 3hvfB1 THR 26 HG23 0.00 0.00 0.03 -0.04 1.22 1.21 3hvfB1 SER 27 H -0.00 0.19 0.11 -0.55 8.46 8.21 3hvfB1 SER 27 HA 0.00 0.18 0.90 -0.75 4.49 4.82 3hvfB1 SER 27 HB2 -0.01 -0.01 -0.06 -0.04 3.95 3.83 3hvfB1 SER 27 HB3 -0.00 -0.08 0.06 -0.04 3.93 3.87 3hvfB1 ALA 28 H 0.01 0.12 0.16 -0.55 8.40 8.14 3hvfB1 ALA 28 HA 0.01 0.21 0.59 -0.75 4.34 4.39 3hvfB1 ALA 28 HB3 0.02 -0.00 0.14 -0.04 1.41 1.53 3hvfB1 VAL 29 H 0.01 0.25 0.20 -0.55 8.24 8.15 3hvfB1 VAL 29 HA -0.01 0.17 0.34 -0.75 4.13 3.88 3hvfB1 VAL 29 HB 0.01 0.16 0.12 -0.04 2.12 2.37 3hvfB1 VAL 29 HG13 0.02 0.00 0.04 -0.04 0.97 0.99 3hvfB1 VAL 29 HG23 -0.00 0.01 -0.11 -0.04 0.95 0.81 3hvfB1 GLN 30 H 0.03 0.10 -0.16 -0.55 8.47 7.89 3hvfB1 GLN 30 HA 0.09 0.00 0.40 -0.75 4.36 4.10 3hvfB1 GLN 30 HB2 0.06 0.00 0.02 -0.04 2.15 2.19 3hvfB1 GLN 30 HB3 0.13 0.00 0.09 -0.04 2.02 2.20 3hvfB1 GLN 30 HG2 0.04 -0.11 0.11 -0.04 2.40 2.40 3hvfB1 GLN 30 HG3 0.05 0.07 0.07 -0.04 2.39 2.54 3hvfB1 GLN 30 HE21 0.05 -0.02 0.11 -0.04 6.97 7.07 3hvfB1 GLN 30 HE22 0.04 0.03 0.08 -0.04 7.69 7.80 3hvfB1 GLN 31 H 0.02 0.15 -0.28 -0.55 8.47 7.82 3hvfB1 GLN 31 HA 0.03 0.06 0.38 -0.75 4.36 4.08 3hvfB1 GLN 31 HB2 0.01 0.17 0.15 -0.04 2.15 2.43 3hvfB1 GLN 31 HB3 0.01 0.06 0.00 -0.04 2.02 2.05 3hvfB1 GLN 31 HG2 0.02 0.05 0.05 -0.04 2.40 2.48 3hvfB1 GLN 31 HG3 0.02 -0.10 0.08 -0.04 2.39 2.34 3hvfB1 GLN 31 HE21 0.01 0.08 0.05 -0.04 6.97 7.07 3hvfB1 GLN 31 HE22 0.01 0.01 0.03 -0.04 7.69 7.70 3hvfB1 LYS 32 H -0.02 0.38 -0.23 -0.55 8.42 8.00 3hvfB1 LYS 32 HA -0.04 0.06 0.34 -0.75 4.32 3.93 3hvfB1 LYS 32 HB2 -0.04 0.08 0.09 -0.04 1.87 1.95 3hvfB1 LYS 32 HB3 -0.05 0.01 -0.00 -0.04 1.79 1.71 3hvfB1 LYS 32 HG2 -0.02 -0.03 -0.06 -0.04 1.46 1.31 3hvfB1 LYS 32 HG3 -0.02 0.13 -0.12 -0.04 1.46 1.41 3hvfB1 LYS 32 HD2 -0.02 0.02 -0.06 -0.04 1.69 1.58 3hvfB1 LYS 32 HD3 -0.03 0.00 -0.05 -0.04 1.68 1.57 3hvfB1 LYS 32 HE2 -0.01 0.04 -0.05 -0.04 2.99 2.93 3hvfB1 LYS 32 HE3 -0.01 -0.07 -0.07 -0.04 2.99 2.80 3hvfB1 LEU 33 H -0.10 0.49 -0.09 -0.55 8.37 8.13 3hvfB1 LEU 33 HA -0.22 0.06 0.43 -0.75 4.35 3.87 3hvfB1 LEU 33 HB2 -0.35 0.01 0.12 -0.04 1.64 1.38 3hvfB1 LEU 33 HB3 -0.74 -0.03 -0.01 -0.04 1.64 0.82 3hvfB1 LEU 33 HG -0.11 0.11 0.02 -0.04 1.64 1.62 3hvfB1 LEU 33 HD13 -0.03 -0.03 -0.15 -0.04 0.93 0.68 3hvfB1 LEU 33 HD23 -0.14 0.02 -0.03 -0.04 0.89 0.69 3hvfB1 ALA 34 H -0.11 0.56 -0.11 -0.55 8.40 8.19 3hvfB1 ALA 34 HA 0.01 0.01 0.43 -0.75 4.34 4.04 3hvfB1 ALA 34 HB3 0.14 0.02 0.11 -0.04 1.41 1.64 3hvfB1 ALA 35 H -0.04 0.50 -0.21 -0.55 8.40 8.11 3hvfB1 ALA 35 HA 0.00 0.01 0.43 -0.75 4.34 4.03 3hvfB1 ALA 35 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 3hvfB1 LEU 36 H -0.08 0.54 -0.14 -0.55 8.37 8.14 3hvfB1 LEU 36 HA -0.05 0.01 0.40 -0.75 4.35 3.96 3hvfB1 LEU 36 HB2 -0.09 0.03 0.07 -0.04 1.64 1.61 3hvfB1 LEU 36 HB3 -0.13 0.09 0.18 -0.04 1.64 1.74 3hvfB1 LEU 36 HG -0.13 -0.02 -0.29 -0.04 1.64 1.16 3hvfB1 LEU 36 HD13 -0.10 -0.02 -0.00 -0.04 0.93 0.76 3hvfB1 LEU 36 HD23 -0.13 0.03 -0.12 -0.04 0.89 0.63 3hvfB1 GLU 37 H -0.09 0.63 -0.11 -0.55 8.60 8.49 3hvfB1 GLU 37 HA 0.08 -0.04 0.32 -0.75 4.29 3.90 3hvfB1 GLU 37 HB2 0.05 -0.04 0.10 -0.04 2.09 2.16 3hvfB1 GLU 37 HB3 0.09 0.11 0.17 -0.04 1.99 2.31 3hvfB1 GLU 37 HG2 0.17 0.09 -0.25 -0.04 2.34 2.31 3hvfB1 GLU 37 HG3 0.26 -0.07 -0.06 -0.04 2.34 2.43 3hvfB1 LYS 38 H 0.04 0.59 -0.13 -0.55 8.42 8.36 3hvfB1 LYS 38 HA 0.07 0.05 0.47 -0.75 4.32 4.15 3hvfB1 LYS 38 HB2 0.05 0.08 0.15 -0.04 1.87 2.11 3hvfB1 LYS 38 HB3 0.03 0.04 0.10 -0.04 1.79 1.92 3hvfB1 LYS 38 HG2 0.03 -0.01 -0.02 -0.04 1.46 1.43 3hvfB1 LYS 38 HG3 0.04 -0.01 0.07 -0.04 1.46 1.52 3hvfB1 LYS 38 HD2 0.04 -0.02 0.01 -0.04 1.69 1.67 3hvfB1 LYS 38 HD3 0.03 -0.00 -0.00 -0.04 1.68 1.66 3hvfB1 LYS 38 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.95 3hvfB1 LYS 38 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 3hvfB1 SER 39 H 0.01 0.53 -0.17 -0.55 8.46 8.28 3hvfB1 SER 39 HA 0.02 0.00 0.41 -0.75 4.49 4.17 3hvfB1 SER 39 HB2 -0.00 0.00 0.07 -0.04 3.95 3.98 3hvfB1 SER 39 HB3 -0.01 0.00 0.14 -0.04 3.93 4.03 3hvfB1 SER 40 H 0.04 0.49 -0.21 -0.55 8.46 8.23 3hvfB1 SER 40 HA 0.05 0.02 0.47 -0.75 4.49 4.28 3hvfB1 SER 40 HB2 -0.01 -0.08 0.05 -0.04 3.95 3.87 3hvfB1 SER 40 HB3 -0.07 0.07 0.07 -0.04 3.93 3.96 3hvfB1 GLY 41 H 0.11 0.39 -0.29 -0.55 8.43 8.09 3hvfB1 GLY 41 HA2 0.08 0.04 0.34 -0.51 4.01 3.95 3hvfB1 GLY 41 HA3 0.09 0.02 0.45 -0.51 4.01 4.06 3hvfB1 GLY 42 H 0.31 0.02 -0.43 -0.55 8.43 7.79 3hvfB1 GLY 42 HA2 -0.02 0.15 0.91 -0.51 4.01 4.54 3hvfB1 GLY 42 HA3 -0.19 0.04 0.32 -0.51 4.01 3.67 3hvfB1 ARG 43 H -0.25 0.76 0.34 -0.55 8.46 8.77 3hvfB1 ARG 43 HA 0.18 0.12 0.90 -0.75 4.34 4.78 3hvfB1 ARG 43 HB2 -0.01 0.02 -0.04 -0.04 1.90 1.83 3hvfB1 ARG 43 HB3 -0.00 -0.01 0.14 -0.04 1.80 1.89 3hvfB1 ARG 43 HG2 0.16 -0.00 -0.25 -0.04 1.67 1.54 3hvfB1 ARG 43 HG3 0.10 -0.01 0.01 -0.04 1.67 1.72 3hvfB1 ARG 43 HD2 -0.19 -0.04 -0.05 -0.04 3.22 2.89 3hvfB1 ARG 43 HD3 -0.11 0.00 -0.04 -0.04 3.22 3.03 3hvfB1 LEU 44 H 0.38 0.18 0.15 -0.55 8.37 8.53 3hvfB1 LEU 44 HA 0.42 0.30 0.98 -0.75 4.35 5.31 3hvfB1 LEU 44 HB2 0.30 -0.01 -0.06 -0.04 1.64 1.84 3hvfB1 LEU 44 HB3 0.26 -0.05 0.06 -0.04 1.64 1.87 3hvfB1 LEU 44 HG 0.10 -0.04 -0.38 -0.04 1.64 1.27 3hvfB1 LEU 44 HD13 0.04 0.06 -0.05 -0.04 0.93 0.93 3hvfB1 LEU 44 HD23 -0.16 -0.01 -0.09 -0.04 0.89 0.59 3hvfB1 GLY 45 H -0.07 0.75 0.36 -0.55 8.43 8.92 3hvfB1 GLY 45 HA2 0.16 0.31 0.94 -0.51 4.01 4.92 3hvfB1 GLY 45 HA3 -0.60 -0.00 0.28 -0.51 4.01 3.18 3hvfB1 VAL 46 H 0.10 0.62 0.32 -0.55 8.24 8.73 3hvfB1 VAL 46 HA -0.09 0.41 1.14 -0.75 4.13 4.84 3hvfB1 VAL 46 HB 0.09 -0.13 0.01 -0.04 2.12 2.04 3hvfB1 VAL 46 HG13 -0.02 0.02 -0.18 -0.04 0.97 0.75 3hvfB1 VAL 46 HG23 -0.02 0.00 -0.21 -0.04 0.95 0.68 3hvfB1 ALA 47 H -0.09 0.56 0.31 -0.55 8.40 8.63 3hvfB1 ALA 47 HA -0.01 0.30 0.88 -0.75 4.34 4.75 3hvfB1 ALA 47 HB3 -0.05 -0.01 -0.13 -0.04 1.41 1.18 3hvfB1 LEU 48 H -0.01 0.58 0.38 -0.55 8.37 8.76 3hvfB1 LEU 48 HA -0.04 0.35 1.17 -0.75 4.35 5.07 3hvfB1 LEU 48 HB2 -0.02 -0.00 0.02 -0.04 1.64 1.60 3hvfB1 LEU 48 HB3 -0.01 -0.13 0.15 -0.04 1.64 1.61 3hvfB1 LEU 48 HG -0.03 -0.01 -0.53 -0.04 1.64 1.04 3hvfB1 LEU 48 HD13 -0.02 0.05 -0.09 -0.04 0.93 0.82 3hvfB1 LEU 48 HD23 0.00 -0.01 -0.19 -0.04 0.89 0.65 3hvfB1 ILE 49 H -0.06 0.65 0.36 -0.55 8.25 8.65 3hvfB1 ILE 49 HA -0.03 0.33 0.88 -0.75 4.18 4.60 3hvfB1 ILE 49 HB -0.06 -0.09 0.13 -0.04 1.89 1.83 3hvfB1 ILE 49 HG12 -0.03 0.09 -0.09 -0.04 1.49 1.42 3hvfB1 ILE 49 HG13 -0.04 -0.11 -0.38 -0.04 1.21 0.64 3hvfB1 ILE 49 HG23 -0.04 0.02 -0.22 -0.04 0.93 0.64 3hvfB1 ILE 49 HD13 -0.03 0.01 -0.22 -0.04 0.88 0.59 3hvfB1 ASP 50 H -0.04 0.76 0.11 -0.55 8.40 8.69 3hvfB1 ASP 50 HA -0.08 0.18 0.95 -0.75 4.63 4.92 3hvfB1 ASP 50 HB2 -0.04 0.05 -0.00 -0.04 2.71 2.68 3hvfB1 ASP 50 HB3 -0.03 -0.07 0.17 -0.04 2.70 2.73 3hvfB1 THR 51 H -0.10 0.67 0.21 -0.55 8.28 8.50 3hvfB1 THR 51 HA -0.05 0.03 0.49 -0.75 4.39 4.10 3hvfB1 THR 51 HB -0.06 -0.01 0.11 -0.04 4.32 4.33 3hvfB1 THR 51 HG23 -0.10 0.01 -0.06 -0.04 1.22 1.03 3hvfB1 ALA 52 H -0.06 0.07 -0.44 -0.55 8.40 7.42 3hvfB1 ALA 52 HA -0.04 0.09 0.45 -0.75 4.34 4.08 3hvfB1 ALA 52 HB3 -0.05 0.00 0.07 -0.04 1.41 1.39 3hvfB1 ASP 53 H -0.03 0.09 -0.17 -0.55 8.40 7.74 3hvfB1 ASP 53 HA -0.02 0.23 0.73 -0.75 4.63 4.81 3hvfB1 ASP 53 HB2 -0.01 0.01 0.13 -0.04 2.71 2.80 3hvfB1 ASP 53 HB3 -0.02 0.09 -0.18 -0.04 2.70 2.55 3hvfB1 ASN 54 H -0.03 0.27 0.16 -0.55 8.53 8.38 3hvfB1 ASN 54 HA -0.03 0.02 0.30 -0.75 4.76 4.30 3hvfB1 ASN 54 HB2 -0.01 0.22 -0.04 -0.04 2.88 3.00 3hvfB1 ASN 54 HB3 -0.01 -0.06 0.19 -0.04 2.79 2.86 3hvfB1 ASN 54 HD21 -0.01 0.00 -0.07 -0.04 7.03 6.91 3hvfB1 ASN 54 HD22 -0.01 0.02 -0.09 -0.04 7.74 7.61 3hvfB1 THR 55 H -0.02 -0.02 -0.28 -0.55 8.28 7.41 3hvfB1 THR 55 HA -0.01 0.13 0.53 -0.75 4.39 4.28 3hvfB1 THR 55 HB -0.01 0.02 0.09 -0.04 4.32 4.38 3hvfB1 THR 55 HG23 -0.01 0.03 -0.02 -0.04 1.22 1.18 3hvfB1 GLN 56 H -0.00 0.21 0.24 -0.55 8.47 8.36 3hvfB1 GLN 56 HA -0.01 0.30 0.97 -0.75 4.36 4.86 3hvfB1 GLN 56 HB2 -0.00 -0.07 -0.00 -0.04 2.15 2.04 3hvfB1 GLN 56 HB3 -0.00 -0.03 0.04 -0.04 2.02 1.98 3hvfB1 GLN 56 HG2 -0.02 0.06 -0.01 -0.04 2.40 2.40 3hvfB1 GLN 56 HG3 -0.01 0.10 -0.42 -0.04 2.39 2.02 3hvfB1 GLN 56 HE21 -0.00 -0.05 -0.04 -0.04 6.97 6.84 3hvfB1 GLN 56 HE22 -0.01 0.00 -0.05 -0.04 7.69 7.60 3hvfB1 VAL 57 H -0.00 0.40 0.28 -0.55 8.24 8.36 3hvfB1 VAL 57 HA 0.02 0.16 0.82 -0.75 4.13 4.37 3hvfB1 VAL 57 HB 0.01 -0.05 0.06 -0.04 2.12 2.10 3hvfB1 VAL 57 HG13 0.03 -0.01 -0.20 -0.04 0.97 0.75 3hvfB1 VAL 57 HG23 0.01 0.02 -0.18 -0.04 0.95 0.76 3hvfB1 LEU 59 H 0.04 0.25 0.14 -0.55 8.37 8.26 3hvfB1 LEU 59 HA 0.04 0.38 1.06 -0.75 4.35 5.08 3hvfB1 LEU 59 HB2 0.02 0.02 0.10 -0.04 1.64 1.74 3hvfB1 LEU 59 HB3 0.02 -0.14 0.05 -0.04 1.64 1.54 3hvfB1 LEU 59 HG 0.01 -0.01 -0.51 -0.04 1.64 1.09 3hvfB1 LEU 59 HD13 0.01 0.02 -0.08 -0.04 0.93 0.84 3hvfB1 LEU 59 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 3hvfB1 TYR 60 H 0.12 0.74 0.26 -0.55 8.29 8.86 3hvfB1 TYR 60 HA 0.03 0.11 0.79 -0.75 4.56 4.75 3hvfB1 TYR 60 HB2 0.02 0.01 -0.10 -0.04 3.06 2.94 3hvfB1 TYR 60 HB3 0.02 -0.04 0.11 -0.04 2.98 3.04 3hvfB1 TYR 60 HD2 0.05 0.05 -0.06 -0.04 7.15 7.16 3hvfB1 TYR 60 HE2 0.07 0.02 0.02 -0.04 6.85 6.92 3hvfB1 ARG 61 H -0.32 0.19 0.14 -0.55 8.46 7.91 3hvfB1 ARG 61 HA -0.06 0.02 0.35 -0.75 4.34 3.90 3hvfB1 ARG 61 HB2 0.25 0.27 0.18 -0.04 1.90 2.57 3hvfB1 ARG 61 HB3 0.20 -0.03 0.22 -0.04 1.80 2.15 3hvfB1 ARG 61 HG2 -0.17 -0.04 0.09 -0.04 1.67 1.51 3hvfB1 ARG 61 HG3 -0.44 -0.03 -0.04 -0.04 1.67 1.11 3hvfB1 ARG 61 HD2 0.31 0.17 -0.03 -0.04 3.22 3.63 3hvfB1 ARG 61 HD3 0.05 -0.03 0.00 -0.04 3.22 3.20 3hvfB1 GLY 62 H 0.01 0.07 -0.27 -0.55 8.43 7.69 3hvfB1 GLY 62 HA2 0.06 0.12 0.27 -0.51 4.01 3.95 3hvfB1 GLY 62 HA3 0.04 0.03 0.26 -0.51 4.01 3.83 3hvfB1 ASP 63 H 0.04 0.03 -0.35 -0.55 8.40 7.58 3hvfB1 ASP 63 HA 0.06 0.13 0.89 -0.75 4.63 4.96 3hvfB1 ASP 63 HB2 0.01 0.00 -0.01 -0.04 2.71 2.68 3hvfB1 ASP 63 HB3 0.02 0.06 0.11 -0.04 2.70 2.85 3hvfB1 GLU 64 H 0.13 0.29 -0.21 -0.55 8.60 8.27 3hvfB1 GLU 64 HA -0.01 0.12 0.74 -0.75 4.29 4.38 3hvfB1 GLU 64 HB2 0.08 0.10 0.04 -0.04 2.09 2.27 3hvfB1 GLU 64 HB3 -0.21 0.11 0.01 -0.04 1.99 1.85 3hvfB1 GLU 64 HG2 -0.05 0.04 -0.03 -0.04 2.34 2.26 3hvfB1 GLU 64 HG3 0.01 -0.21 -0.03 -0.04 2.34 2.07 3hvfB1 ARG 65 H -0.08 0.10 0.07 -0.55 8.46 8.00 3hvfB1 ARG 65 HA 0.11 0.20 0.45 -0.75 4.34 4.34 3hvfB1 ARG 65 HB2 -0.08 -0.03 0.00 -0.04 1.90 1.76 3hvfB1 ARG 65 HB3 -0.05 0.06 -0.16 -0.04 1.80 1.61 3hvfB1 ARG 65 HG2 0.02 -0.07 -0.30 -0.04 1.67 1.28 3hvfB1 ARG 65 HG3 -0.00 -0.02 -0.16 -0.04 1.67 1.44 3hvfB1 ARG 65 HD2 -0.04 -0.01 -0.08 -0.04 3.22 3.05 3hvfB1 ARG 65 HD3 -0.04 0.06 -0.11 -0.04 3.22 3.09 3hvfB1 PHE 66 H 0.20 0.56 0.30 -0.55 8.34 8.86 3hvfB1 PHE 66 HA -0.08 0.19 0.64 -0.75 4.62 4.62 3hvfB1 PHE 66 HB2 -0.02 -0.07 -0.09 -0.04 3.15 2.92 3hvfB1 PHE 66 HB3 -0.22 0.07 -0.15 -0.04 3.06 2.72 3hvfB1 PHE 66 HD2 0.07 0.06 -0.24 -0.04 7.28 7.13 3hvfB1 PHE 66 HE2 0.08 0.16 -0.21 -0.04 7.38 7.36 3hvfB1 PHE 66 HZ 0.11 0.04 -0.52 -0.04 7.32 6.90 3hvfB1 PRO 67 HA -0.09 0.25 0.54 -0.51 4.44 4.62 3hvfB1 PRO 67 HB2 -0.06 -0.04 -0.01 -0.04 2.28 2.12 3hvfB1 PRO 67 HB3 -0.06 -0.00 0.07 -0.04 2.02 1.98 3hvfB1 PRO 67 HG2 -0.05 0.10 0.01 -0.04 2.03 2.05 3hvfB1 PRO 67 HG3 -0.09 0.08 -0.08 -0.04 2.03 1.90 3hvfB1 PRO 67 HD2 0.05 0.08 0.08 -0.04 3.68 3.84 3hvfB1 PRO 67 HD3 -0.09 0.17 0.05 -0.04 3.65 3.74 3hvfB1 MET 68 H -0.13 0.64 0.40 -0.55 8.47 8.84 3hvfB1 MET 68 HA -0.38 0.07 0.38 -0.75 4.52 3.84 3hvfB1 MET 68 HB2 -0.06 0.09 0.06 -0.04 2.15 2.19 3hvfB1 MET 68 HB3 0.04 -0.16 -0.14 -0.04 2.03 1.72 3hvfB1 MET 68 HG2 0.06 -0.04 -0.16 -0.04 2.63 2.45 3hvfB1 MET 68 HG3 -0.09 0.08 -0.10 -0.04 2.56 2.41 3hvfB1 MET 68 HE3 -0.68 -0.01 -0.31 -0.04 2.10 1.06 3hvfB1 CYS 69 H -0.06 0.20 -0.07 -0.55 8.50 8.03 3hvfB1 CYS 69 HA -0.01 0.08 0.20 -0.75 4.58 4.09 3hvfB1 CYS 69 HB2 -0.02 0.08 -0.18 -0.04 2.97 2.81 3hvfB1 CYS 69 HB3 -0.00 0.01 0.20 -0.04 2.97 3.13 3hvfB1 GLY 70 H 0.02 0.07 0.30 -0.55 8.43 8.26 3hvfB1 GLY 70 HA2 0.04 -0.02 0.36 -0.51 4.01 3.88 3hvfB1 GLY 70 HA3 0.04 0.15 0.47 -0.51 4.01 4.16 3hvfB1 THR 71 H 0.07 0.43 -0.46 -0.55 8.28 7.77 3hvfB1 THR 71 HA 0.11 0.12 0.39 -0.75 4.39 4.26 3hvfB1 THR 71 HB 0.20 -0.07 0.01 -0.04 4.32 4.41 3hvfB1 THR 71 HG23 0.20 0.06 -0.24 -0.04 1.22 1.20 3hvfB1 SER 72 H 0.10 0.58 -0.41 -0.55 8.46 8.19 3hvfB1 SER 72 HA 0.31 0.03 0.34 -0.75 4.49 4.41 3hvfB1 SER 72 HB2 0.24 -0.07 -0.01 -0.04 3.95 4.08 3hvfB1 SER 72 HB3 0.10 0.02 -0.02 -0.04 3.93 3.99 3hvfB1 LYS 73 H 0.09 0.57 -0.49 -0.55 8.42 8.04 3hvfB1 LYS 73 HA 0.06 -0.04 0.39 -0.75 4.32 3.98 3hvfB1 LYS 73 HB2 0.05 0.26 0.08 -0.04 1.87 2.22 3hvfB1 LYS 73 HB3 0.02 -0.07 -0.06 -0.04 1.79 1.64 3hvfB1 LYS 73 HG2 0.04 -0.12 0.01 -0.04 1.46 1.34 3hvfB1 LYS 73 HG3 0.06 -0.07 0.03 -0.04 1.46 1.44 3hvfB1 LYS 73 HD2 0.05 0.12 0.13 -0.04 1.69 1.95 3hvfB1 LYS 73 HD3 0.04 0.15 0.04 -0.04 1.68 1.87 3hvfB1 LYS 73 HE2 0.05 -0.02 -0.19 -0.04 2.99 2.80 3hvfB1 LYS 73 HE3 0.05 -0.09 -0.03 -0.04 2.99 2.87 3hvfB1 VAL 74 H 0.10 0.42 -0.35 -0.55 8.24 7.87 3hvfB1 VAL 74 HA 0.08 0.06 0.37 -0.75 4.13 3.89 3hvfB1 VAL 74 HB 0.10 0.09 0.06 -0.04 2.12 2.33 3hvfB1 VAL 74 HG13 0.09 -0.00 -0.16 -0.04 0.97 0.85 3hvfB1 VAL 74 HG23 0.09 0.01 0.01 -0.04 0.95 1.02 3hvfB1 MET 75 H 0.11 0.23 -0.24 -0.55 8.47 8.02 3hvfB1 MET 75 HA 0.06 0.07 0.33 -0.75 4.52 4.22 3hvfB1 MET 75 HB2 -0.17 -0.03 0.02 -0.04 2.15 1.93 3hvfB1 MET 75 HB3 0.01 0.08 0.01 -0.04 2.03 2.09 3hvfB1 MET 75 HG2 -1.11 -0.00 -0.12 -0.04 2.63 1.36 3hvfB1 MET 75 HG3 -0.01 0.01 -0.12 -0.04 2.56 2.40 3hvfB1 MET 75 HE3 -0.75 -0.01 -0.06 -0.04 2.10 1.23 3hvfB1 ALA 76 H 0.07 0.36 -0.23 -0.55 8.40 8.06 3hvfB1 ALA 76 HA -0.01 0.06 0.40 -0.75 4.34 4.04 3hvfB1 ALA 76 HB3 0.04 0.01 -0.00 -0.04 1.41 1.41 3hvfB1 ALA 77 H 0.01 0.64 -0.09 -0.55 8.40 8.42 3hvfB1 ALA 77 HA -0.02 -0.00 0.46 -0.75 4.34 4.02 3hvfB1 ALA 77 HB3 0.03 0.02 0.08 -0.04 1.41 1.49 3hvfB1 ALA 78 H 0.01 0.63 -0.20 -0.55 8.40 8.29 3hvfB1 ALA 78 HA 0.01 -0.01 0.39 -0.75 4.34 3.98 3hvfB1 ALA 78 HB3 0.11 0.02 0.02 -0.04 1.41 1.51 3hvfB1 ALA 79 H -0.38 0.48 -0.31 -0.55 8.40 7.64 3hvfB1 ALA 79 HA -1.79 0.04 0.40 -0.75 4.34 2.23 3hvfB1 ALA 79 HB3 -0.35 0.04 0.09 -0.04 1.41 1.15 3hvfB1 VAL 80 H -0.16 0.46 -0.20 -0.55 8.24 7.79 3hvfB1 VAL 80 HA -0.07 0.05 0.45 -0.75 4.13 3.81 3hvfB1 VAL 80 HB -0.01 0.11 0.15 -0.04 2.12 2.32 3hvfB1 VAL 80 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 3hvfB1 VAL 80 HG23 -0.04 0.03 0.00 -0.04 0.95 0.90 3hvfB1 LEU 81 H -0.04 0.54 -0.17 -0.55 8.37 8.15 3hvfB1 LEU 81 HA 0.04 -0.04 0.34 -0.75 4.35 3.93 3hvfB1 LEU 81 HB2 0.00 0.17 0.16 -0.04 1.64 1.93 3hvfB1 LEU 81 HB3 0.01 -0.11 -0.04 -0.04 1.64 1.46 3hvfB1 LEU 81 HG 0.26 0.07 -0.00 -0.04 1.64 1.93 3hvfB1 LEU 81 HD13 0.11 0.01 -0.08 -0.04 0.93 0.93 3hvfB1 LEU 81 HD23 -0.02 -0.03 -0.02 -0.04 0.89 0.78 3hvfB1 LYS 82 H -0.17 0.61 -0.21 -0.55 8.42 8.10 3hvfB1 LYS 82 HA 0.03 -0.06 0.45 -0.75 4.32 3.98 3hvfB1 LYS 82 HB2 0.11 0.01 0.09 -0.04 1.87 2.05 3hvfB1 LYS 82 HB3 -0.18 0.15 0.16 -0.04 1.79 1.88 3hvfB1 LYS 82 HG2 0.34 0.03 -0.01 -0.04 1.46 1.77 3hvfB1 LYS 82 HG3 0.10 -0.02 -0.20 -0.04 1.46 1.30 3hvfB1 LYS 82 HD2 0.10 -0.01 0.02 -0.04 1.69 1.76 3hvfB1 LYS 82 HD3 0.08 -0.12 0.15 -0.04 1.68 1.75 3hvfB1 LYS 82 HE2 0.20 -0.07 0.11 -0.04 2.99 3.19 3hvfB1 LYS 82 HE3 0.20 0.05 0.06 -0.04 2.99 3.26 3hvfB1 GLN 83 H -0.07 0.51 -0.17 -0.55 8.47 8.19 3hvfB1 GLN 83 HA 0.01 0.03 0.45 -0.75 4.36 4.09 3hvfB1 GLN 83 HB2 -0.02 0.12 0.19 -0.04 2.15 2.39 3hvfB1 GLN 83 HB3 -0.00 -0.09 0.05 -0.04 2.02 1.94 3hvfB1 GLN 83 HG2 0.00 -0.04 0.05 -0.04 2.40 2.37 3hvfB1 GLN 83 HG3 -0.05 0.22 0.07 -0.04 2.39 2.58 3hvfB1 GLN 83 HE21 0.00 0.13 0.00 -0.04 6.97 7.06 3hvfB1 GLN 83 HE22 0.01 -0.02 -0.00 -0.04 7.69 7.63 3hvfB1 SER 84 H -0.00 0.52 -0.25 -0.55 8.46 8.18 3hvfB1 SER 84 HA 0.01 0.13 0.37 -0.75 4.49 4.24 3hvfB1 SER 84 HB2 0.02 -0.11 0.09 -0.04 3.95 3.91 3hvfB1 SER 84 HB3 0.02 -0.02 0.06 -0.04 3.93 3.96 3hvfB1 GLU 85 H 0.01 0.47 -0.62 -0.55 8.60 7.91 3hvfB1 GLU 85 HA 0.01 -0.02 0.46 -0.75 4.29 3.98 3hvfB1 GLU 85 HB2 0.03 0.25 0.13 -0.04 2.09 2.46 3hvfB1 GLU 85 HB3 0.02 -0.07 0.08 -0.04 1.99 1.97 3hvfB1 GLU 85 HG2 0.02 -0.15 0.06 -0.04 2.34 2.23 3hvfB1 GLU 85 HG3 0.02 0.22 0.12 -0.04 2.34 2.66 3hvfB1 THR 86 H 0.01 0.37 -0.18 -0.55 8.28 7.94 3hvfB1 THR 86 HA 0.01 0.19 0.95 -0.75 4.39 4.78 3hvfB1 THR 86 HB 0.01 -0.04 0.07 -0.04 4.32 4.32 3hvfB1 THR 86 HG23 0.02 -0.00 -0.10 -0.04 1.22 1.09 3hvfB1 GLN 87 H 0.01 0.58 0.11 -0.55 8.47 8.62 3hvfB1 GLN 87 HA 0.01 0.11 0.77 -0.75 4.36 4.49 3hvfB1 GLN 87 HB2 0.01 0.05 0.12 -0.04 2.15 2.29 3hvfB1 GLN 87 HB3 0.01 -0.09 0.12 -0.04 2.02 2.02 3hvfB1 GLN 87 HG2 0.01 0.02 0.02 -0.04 2.40 2.41 3hvfB1 GLN 87 HG3 0.01 0.03 -0.03 -0.04 2.39 2.36 3hvfB1 GLN 87 HE21 0.01 0.03 0.02 -0.04 6.97 6.98 3hvfB1 GLN 87 HE22 0.01 0.04 0.04 -0.04 7.69 7.74 3hvfB1 LYS 88 H 0.01 0.30 -0.13 -0.55 8.42 8.04 3hvfB1 LYS 88 HA 0.01 0.33 0.23 -0.75 4.32 4.12 3hvfB1 LYS 88 HB2 0.00 -0.03 0.05 -0.04 1.87 1.85 3hvfB1 LYS 88 HB3 0.00 -0.02 0.05 -0.04 1.79 1.78 3hvfB1 LYS 88 HG2 0.00 0.08 -0.06 -0.04 1.46 1.45 3hvfB1 LYS 88 HG3 0.01 0.08 -0.15 -0.04 1.46 1.35 3hvfB1 LYS 88 HD2 0.00 -0.05 0.01 -0.04 1.69 1.61 3hvfB1 LYS 88 HD3 0.00 0.02 0.02 -0.04 1.68 1.69 3hvfB1 LYS 88 HE2 0.01 0.11 0.05 -0.04 2.99 3.12 3hvfB1 LYS 88 HE3 0.00 -0.06 0.03 -0.04 2.99 2.92 3hvfB1 GLN 89 H 0.01 0.09 -0.31 -0.55 8.47 7.72 3hvfB1 GLN 89 HA 0.01 0.23 0.89 -0.75 4.36 4.74 3hvfB1 GLN 89 HB2 0.01 0.03 -0.04 -0.04 2.15 2.11 3hvfB1 GLN 89 HB3 0.01 -0.00 0.11 -0.04 2.02 2.09 3hvfB1 GLN 89 HG2 0.01 -0.02 -0.07 -0.04 2.40 2.27 3hvfB1 GLN 89 HG3 0.01 0.04 -0.03 -0.04 2.39 2.36 3hvfB1 GLN 89 HE21 0.00 0.06 -0.13 -0.04 6.97 6.86 3hvfB1 GLN 89 HE22 0.00 -0.02 -0.13 -0.04 7.69 7.50 3hvfB1 LEU 90 H 0.01 0.61 -0.19 -0.55 8.37 8.25 3hvfB1 LEU 90 HA 0.01 0.05 0.34 -0.75 4.35 3.99 3hvfB1 LEU 90 HB2 0.01 0.06 0.13 -0.04 1.64 1.80 3hvfB1 LEU 90 HB3 0.02 0.02 0.07 -0.04 1.64 1.71 3hvfB1 LEU 90 HG 0.01 -0.07 -0.20 -0.04 1.64 1.34 3hvfB1 LEU 90 HD13 0.01 -0.00 0.04 -0.04 0.93 0.94 3hvfB1 LEU 90 HD23 0.00 0.03 -0.07 -0.04 0.89 0.81 3hvfB1 LEU 91 H 0.03 0.23 -0.22 -0.55 8.37 7.86 3hvfB1 LEU 91 HA 0.05 0.03 0.36 -0.75 4.35 4.03 3hvfB1 LEU 91 HB2 0.06 0.09 -0.00 -0.04 1.64 1.74 3hvfB1 LEU 91 HB3 0.12 -0.09 0.04 -0.04 1.64 1.66 3hvfB1 LEU 91 HG 0.05 0.05 -0.01 -0.04 1.64 1.69 3hvfB1 LEU 91 HD13 0.08 0.01 -0.04 -0.04 0.93 0.95 3hvfB1 LEU 91 HD23 0.14 -0.00 -0.19 -0.04 0.89 0.80 3hvfB1 ASN 92 H 0.02 0.42 -0.45 -0.55 8.53 7.97 3hvfB1 ASN 92 HA 0.02 0.05 0.77 -0.75 4.76 4.85 3hvfB1 ASN 92 HB2 0.01 0.13 0.07 -0.04 2.88 3.05 3hvfB1 ASN 92 HB3 0.01 -0.01 0.15 -0.04 2.79 2.90 3hvfB1 ASN 92 HD21 0.02 0.01 -0.02 -0.04 7.03 6.99 3hvfB1 ASN 92 HD22 0.01 0.05 0.02 -0.04 7.74 7.78 3hvfB1 GLN 93 H 0.01 0.41 -0.28 -0.55 8.47 8.06 3hvfB1 GLN 93 HA 0.00 0.11 0.45 -0.75 4.36 4.17 3hvfB1 GLN 93 HB2 0.01 -0.02 0.13 -0.04 2.15 2.22 3hvfB1 GLN 93 HB3 0.00 0.01 0.19 -0.04 2.02 2.18 3hvfB1 GLN 93 HG2 -0.00 0.13 -0.26 -0.04 2.40 2.23 3hvfB1 GLN 93 HG3 0.00 -0.01 0.02 -0.04 2.39 2.37 3hvfB1 GLN 93 HE21 0.00 -0.01 -0.01 -0.04 6.97 6.91 3hvfB1 GLN 93 HE22 -0.00 0.00 -0.09 -0.04 7.69 7.56 3hvfB1 PRO 94 HA -0.02 0.04 0.34 -0.51 4.44 4.29 3hvfB1 PRO 94 HB2 -0.01 -0.01 -0.07 -0.04 2.28 2.15 3hvfB1 PRO 94 HB3 -0.01 -0.01 -0.05 -0.04 2.02 1.91 3hvfB1 PRO 94 HG2 -0.00 0.02 0.06 -0.04 2.03 2.07 3hvfB1 PRO 94 HG3 -0.00 0.08 0.06 -0.04 2.03 2.13 3hvfB1 PRO 94 HD2 -0.00 0.07 0.21 -0.04 3.68 3.92 3hvfB1 PRO 94 HD3 0.00 0.22 0.31 -0.04 3.65 4.14 3hvfB1 VAL 95 H -0.02 0.53 0.31 -0.55 8.24 8.51 3hvfB1 VAL 95 HA -0.01 0.16 0.92 -0.75 4.13 4.45 3hvfB1 VAL 95 HB -0.03 0.02 0.10 -0.04 2.12 2.17 3hvfB1 VAL 95 HG13 -0.01 0.01 -0.12 -0.04 0.97 0.82 3hvfB1 VAL 95 HG23 -0.01 0.04 -0.17 -0.04 0.95 0.76 3hvfB1 GLU 96 H -0.00 0.14 0.12 -0.55 8.60 8.31 3hvfB1 GLU 96 HA -0.00 0.00 0.59 -0.75 4.29 4.13 3hvfB1 GLU 96 HB2 -0.00 0.00 0.09 -0.04 2.09 2.14 3hvfB1 GLU 96 HB3 0.00 0.00 -0.08 -0.04 1.99 1.87 3hvfB1 GLU 96 HG2 0.00 0.07 -0.09 -0.04 2.34 2.28 3hvfB1 GLU 96 HG3 -0.00 -0.01 -0.03 -0.04 2.34 2.26 3hvfB1 ILE 97 H 0.01 0.80 0.33 -0.55 8.25 8.85 3hvfB1 ILE 97 HA 0.00 0.14 0.85 -0.75 4.18 4.42 3hvfB1 ILE 97 HB 0.03 0.14 -0.08 -0.04 1.89 1.94 3hvfB1 ILE 97 HG12 0.00 0.09 -0.17 -0.04 1.49 1.37 3hvfB1 ILE 97 HG13 0.02 -0.03 -0.23 -0.04 1.21 0.93 3hvfB1 ILE 97 HG23 0.01 -0.00 -0.24 -0.04 0.93 0.66 3hvfB1 ILE 97 HD13 -0.01 0.02 -0.29 -0.04 0.88 0.56 3hvfB1 LYS 98 H 0.00 0.19 0.09 -0.55 8.42 8.15 3hvfB1 LYS 98 HA 0.00 0.00 0.93 -0.75 4.32 4.50 3hvfB1 LYS 98 HB2 0.00 0.00 0.04 -0.04 1.87 1.87 3hvfB1 LYS 98 HB3 0.00 0.00 0.08 -0.04 1.79 1.83 3hvfB1 LYS 98 HG2 0.00 0.00 -0.08 -0.04 1.46 1.34 3hvfB1 LYS 98 HG3 0.00 0.00 -0.16 -0.04 1.46 1.26 3hvfB1 LYS 98 HD2 0.00 0.00 -0.03 -0.04 1.69 1.62 3hvfB1 LYS 98 HD3 0.00 0.04 -0.01 -0.04 1.68 1.66 3hvfB1 LYS 98 HE2 0.00 -0.02 -0.07 -0.04 2.99 2.86 3hvfB1 LYS 98 HE3 0.00 0.02 -0.04 -0.04 2.99 2.94 3hvfB1 PRO 99 HA -0.01 0.09 0.41 -0.51 4.44 4.43 3hvfB1 PRO 99 HB2 -0.00 0.06 0.07 -0.04 2.28 2.36 3hvfB1 PRO 99 HB3 -0.01 0.11 0.10 -0.04 2.02 2.18 3hvfB1 PRO 99 HG2 -0.00 0.12 0.09 -0.04 2.03 2.20 3hvfB1 PRO 99 HG3 -0.01 0.09 0.07 -0.04 2.03 2.14 3hvfB1 PRO 99 HD2 -0.00 0.15 0.24 -0.04 3.68 4.03 3hvfB1 PRO 99 HD3 -0.00 0.11 0.29 -0.04 3.65 4.01 3hvfB1 ALA 100 H -0.00 0.06 -0.27 -0.55 8.40 7.65 3hvfB1 ALA 100 HA 0.00 0.16 0.37 -0.75 4.34 4.12 3hvfB1 ALA 100 HB3 0.00 0.01 0.03 -0.04 1.41 1.41 3hvfB1 ASP 101 H 0.00 0.35 -0.47 -0.55 8.40 7.73 3hvfB1 ASP 101 HA 0.00 0.12 0.50 -0.75 4.63 4.50 3hvfB1 ASP 101 HB2 0.00 0.10 0.05 -0.04 2.71 2.83 3hvfB1 ASP 101 HB3 0.00 -0.04 0.02 -0.04 2.70 2.64 3hvfB1 LEU 102 H -0.00 0.34 -0.23 -0.55 8.37 7.93 3hvfB1 LEU 102 HA -0.00 -0.18 0.38 -0.75 4.35 3.79 3hvfB1 LEU 102 HB2 -0.00 0.17 0.10 -0.04 1.64 1.87 3hvfB1 LEU 102 HB3 -0.01 -0.00 -0.02 -0.04 1.64 1.57 3hvfB1 LEU 102 HG -0.01 0.06 0.04 -0.04 1.64 1.69 3hvfB1 LEU 102 HD13 -0.02 0.01 0.00 -0.04 0.93 0.89 3hvfB1 LEU 102 HD23 -0.01 -0.04 -0.20 -0.04 0.89 0.60 3hvfB1 VAL 103 H 0.01 -0.14 0.02 -0.55 8.24 7.58 3hvfB1 VAL 103 HA 0.02 0.34 0.86 -0.75 4.13 4.59 3hvfB1 VAL 103 HB 0.03 -0.09 0.12 -0.04 2.12 2.14 3hvfB1 VAL 103 HG13 0.02 0.13 -0.12 -0.04 0.97 0.96 3hvfB1 VAL 103 HG23 0.04 -0.05 -0.09 -0.04 0.95 0.80 3hvfB1 ASN 104 H 0.05 0.09 0.10 -0.55 8.53 8.22 3hvfB1 ASN 104 HA 0.05 0.25 0.48 -0.75 4.76 4.79 3hvfB1 ASN 104 HB2 0.06 0.07 0.11 -0.04 2.88 3.07 3hvfB1 ASN 104 HB3 0.04 0.02 0.08 -0.04 2.79 2.88 3hvfB1 ASN 104 HD21 0.03 0.00 -0.00 -0.04 7.03 7.02 3hvfB1 ASN 104 HD22 0.04 0.06 -0.03 -0.04 7.74 7.76 3hvfB1 TYR 105 H 0.11 -0.02 -0.18 -0.55 8.29 7.65 3hvfB1 TYR 105 HA 0.01 0.18 0.65 -0.75 4.56 4.65 3hvfB1 TYR 105 HB2 0.02 0.13 -0.14 -0.04 3.06 3.02 3hvfB1 TYR 105 HB3 0.02 -0.09 0.21 -0.04 2.98 3.07 3hvfB1 TYR 105 HD2 0.02 0.08 0.09 -0.04 7.15 7.31 3hvfB1 TYR 105 HE2 0.04 0.19 0.03 -0.04 6.85 7.07 3hvfB1 ASN 106 H -0.21 0.32 -0.03 -0.55 8.53 8.06 3hvfB1 ASN 106 HA -0.12 -0.01 0.92 -0.75 4.76 4.79 3hvfB1 ASN 106 HB2 -0.07 0.12 0.14 -0.04 2.88 3.03 3hvfB1 ASN 106 HB3 -0.05 -0.10 0.08 -0.04 2.79 2.68 3hvfB1 ASN 106 HD21 0.00 0.56 -0.25 -0.04 7.03 7.31 3hvfB1 ASN 106 HD22 -0.03 0.07 -0.10 -0.04 7.74 7.64 3hvfB1 PRO 107 HA -0.19 0.14 0.32 -0.51 4.44 4.21 3hvfB1 PRO 107 HB2 -0.15 0.10 -0.03 -0.04 2.28 2.16 3hvfB1 PRO 107 HB3 -0.25 0.09 0.09 -0.04 2.02 1.91 3hvfB1 PRO 107 HG2 -0.12 -0.06 0.00 -0.04 2.03 1.82 3hvfB1 PRO 107 HG3 -0.28 0.26 0.01 -0.04 2.03 1.97 3hvfB1 PRO 107 HD2 -0.35 0.02 -0.08 -0.04 3.68 3.23 3hvfB1 PRO 107 HD3 -1.28 0.14 -0.11 -0.04 3.65 2.36 3hvfB1 ILE 108 H -0.14 -0.08 -0.26 -0.55 8.25 7.23 3hvfB1 ILE 108 HA -0.14 0.33 0.91 -0.75 4.18 4.52 3hvfB1 ILE 108 HB -0.09 -0.14 0.04 -0.04 1.89 1.66 3hvfB1 ILE 108 HG12 -0.26 -0.08 -0.05 -0.04 1.49 1.06 3hvfB1 ILE 108 HG13 -0.32 0.02 0.01 -0.04 1.21 0.88 3hvfB1 ILE 108 HG23 -0.06 0.03 -0.09 -0.04 0.93 0.77 3hvfB1 ILE 108 HD13 -0.81 0.07 -0.12 -0.04 0.88 -0.02 3hvfB1 ALA 109 H -0.05 -0.07 -0.05 -0.55 8.40 7.67 3hvfB1 ALA 109 HA 0.07 0.14 0.22 -0.75 4.34 4.01 3hvfB1 ALA 109 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.32 3hvfB1 GLU 110 H -0.06 0.44 -0.32 -0.55 8.60 8.11 3hvfB1 GLU 110 HA -0.04 0.00 0.33 -0.75 4.29 3.83 3hvfB1 GLU 110 HB2 -0.05 0.02 0.06 -0.04 2.09 2.07 3hvfB1 GLU 110 HB3 -0.06 -0.04 0.07 -0.04 1.99 1.92 3hvfB1 GLU 110 HG2 -0.09 0.05 -0.11 -0.04 2.34 2.15 3hvfB1 GLU 110 HG3 -0.08 0.05 -0.28 -0.04 2.34 1.99 3hvfB1 LYS 111 H -0.10 0.36 -0.48 -0.55 8.42 7.66 3hvfB1 LYS 111 HA -0.17 0.10 0.49 -0.75 4.32 3.98 3hvfB1 LYS 111 HB2 -0.41 0.11 0.04 -0.04 1.87 1.56 3hvfB1 LYS 111 HB3 -0.38 -0.02 0.08 -0.04 1.79 1.44 3hvfB1 LYS 111 HG2 -0.13 -0.03 -0.00 -0.04 1.46 1.26 3hvfB1 LYS 111 HG3 -0.13 0.04 0.05 -0.04 1.46 1.38 3hvfB1 LYS 111 HD2 -0.14 -0.02 0.04 -0.04 1.69 1.52 3hvfB1 LYS 111 HD3 -0.10 -0.01 0.05 -0.04 1.68 1.57 3hvfB1 LYS 111 HE2 -0.11 0.02 0.21 -0.04 2.99 3.07 3hvfB1 LYS 111 HE3 -0.06 -0.04 0.05 -0.04 2.99 2.89 3hvfB1 HIS 112 H -0.03 0.37 -0.43 -0.55 8.41 7.78 3hvfB1 HIS 112 HA -0.03 0.27 0.81 -0.75 4.63 4.93 3hvfB1 HIS 112 HB2 -0.04 -0.06 -0.09 -0.04 3.26 3.03 3hvfB1 HIS 112 HB3 -0.03 -0.01 -0.05 -0.04 3.20 3.07 3hvfB1 HIS 112 HD2 -0.07 0.11 -0.16 -0.04 6.97 6.81 3hvfB1 HIS 112 HE1 -0.03 -0.00 -0.03 -0.04 7.75 7.64 3hvfB1 VAL 113 H -0.02 0.21 -0.26 -0.55 8.24 7.62 3hvfB1 VAL 113 HA 0.01 0.00 0.26 -0.75 4.13 3.65 3hvfB1 VAL 113 HB -0.01 0.00 -0.01 -0.04 2.12 2.06 3hvfB1 VAL 113 HG13 -0.02 0.04 -0.09 -0.04 0.97 0.86 3hvfB1 VAL 113 HG23 -0.00 -0.05 -0.27 -0.04 0.95 0.59 3hvfB1 ASN 114 H 0.01 0.36 0.37 -0.55 8.53 8.71 3hvfB1 ASN 114 HA 0.00 -0.05 0.42 -0.75 4.76 4.37 3hvfB1 ASN 114 HB2 -0.00 0.23 -0.04 -0.04 2.88 3.03 3hvfB1 ASN 114 HB3 -0.00 0.00 0.25 -0.04 2.79 3.00 3hvfB1 ASN 114 HD21 -0.01 -0.03 -0.01 -0.04 7.03 6.94 3hvfB1 ASN 114 HD22 -0.01 0.09 -0.09 -0.04 7.74 7.69 3hvfB1 GLY 115 H 0.02 0.23 -0.09 -0.55 8.43 8.04 3hvfB1 GLY 115 HA2 0.02 0.10 0.63 -0.51 4.01 4.25 3hvfB1 GLY 115 HA3 0.04 0.07 0.30 -0.51 4.01 3.91 3hvfB1 THR 116 H 0.03 0.24 0.20 -0.55 8.28 8.20 3hvfB1 THR 116 HA -0.01 0.24 1.05 -0.75 4.39 4.92 3hvfB1 THR 116 HB -0.02 -0.08 -0.09 -0.04 4.32 4.09 3hvfB1 THR 116 HG23 0.00 -0.02 -0.37 -0.04 1.22 0.79 3hvfB1 MET 117 H -0.05 0.58 0.35 -0.55 8.47 8.80 3hvfB1 MET 117 HA -0.17 0.15 0.71 -0.75 4.52 4.46 3hvfB1 MET 117 HB2 -0.09 -0.01 -0.04 -0.04 2.15 1.97 3hvfB1 MET 117 HB3 -0.15 -0.03 -0.05 -0.04 2.03 1.76 3hvfB1 MET 117 HG2 -0.61 0.07 -0.04 -0.04 2.63 2.01 3hvfB1 MET 117 HG3 -0.18 0.04 -0.43 -0.04 2.56 1.95 3hvfB1 MET 117 HE3 -0.14 -0.02 -0.24 -0.04 2.10 1.65 3hvfB1 THR 118 H -0.08 0.09 0.12 -0.55 8.28 7.86 3hvfB1 THR 118 HA -0.02 0.42 0.53 -0.75 4.39 4.56 3hvfB1 THR 118 HB 0.00 0.20 0.08 -0.04 4.32 4.57 3hvfB1 THR 118 HG23 -0.01 0.04 -0.11 -0.04 1.22 1.10 3hvfB1 LEU 119 H -0.00 0.44 0.14 -0.55 8.37 8.41 3hvfB1 LEU 119 HA -0.03 0.01 0.39 -0.75 4.35 3.98 3hvfB1 LEU 119 HB2 0.02 0.13 0.17 -0.04 1.64 1.92 3hvfB1 LEU 119 HB3 0.01 -0.05 0.02 -0.04 1.64 1.58 3hvfB1 LEU 119 HG -0.01 0.09 0.03 -0.04 1.64 1.70 3hvfB1 LEU 119 HD13 0.00 0.06 0.01 -0.04 0.93 0.96 3hvfB1 LEU 119 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 3hvfB1 ALA 120 H 0.04 0.59 -0.02 -0.55 8.40 8.47 3hvfB1 ALA 120 HA 0.20 0.07 0.46 -0.75 4.34 4.31 3hvfB1 ALA 120 HB3 0.20 0.01 0.04 -0.04 1.41 1.61 3hvfB1 GLU 121 H -0.01 0.11 -0.20 -0.55 8.60 7.96 3hvfB1 GLU 121 HA -0.05 0.08 0.41 -0.75 4.29 3.97 3hvfB1 GLU 121 HB2 -0.09 -0.00 0.14 -0.04 2.09 2.10 3hvfB1 GLU 121 HB3 -0.13 0.01 0.00 -0.04 1.99 1.83 3hvfB1 GLU 121 HG2 -0.04 0.06 0.03 -0.04 2.34 2.35 3hvfB1 GLU 121 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 3hvfB1 LEU 122 H -0.09 0.61 -0.26 -0.55 8.37 8.08 3hvfB1 LEU 122 HA -0.10 -0.06 0.42 -0.75 4.35 3.86 3hvfB1 LEU 122 HB2 -0.07 0.13 0.06 -0.04 1.64 1.71 3hvfB1 LEU 122 HB3 -0.07 -0.02 -0.02 -0.04 1.64 1.49 3hvfB1 LEU 122 HG -0.08 0.01 -0.16 -0.04 1.64 1.37 3hvfB1 LEU 122 HD13 -0.04 0.01 -0.24 -0.04 0.93 0.62 3hvfB1 LEU 122 HD23 -0.05 -0.03 -0.08 -0.04 0.89 0.69 3hvfB1 SER 123 H -0.21 0.60 -0.18 -0.55 8.46 8.12 3hvfB1 SER 123 HA -0.28 -0.01 0.42 -0.75 4.49 3.87 3hvfB1 SER 123 HB2 -0.76 0.12 0.20 -0.04 3.95 3.47 3hvfB1 SER 123 HB3 -0.81 -0.04 0.03 -0.04 3.93 3.07 3hvfB1 ALA 124 H -0.63 0.63 -0.09 -0.55 8.40 7.77 3hvfB1 ALA 124 HA -0.98 0.05 0.41 -0.75 4.34 3.07 3hvfB1 ALA 124 HB3 -0.29 0.03 0.07 -0.04 1.41 1.18 3hvfB1 ALA 125 H -0.17 0.55 -0.25 -0.55 8.40 7.98 3hvfB1 ALA 125 HA 0.13 0.05 0.48 -0.75 4.34 4.25 3hvfB1 ALA 125 HB3 -0.06 -0.01 0.09 -0.04 1.41 1.39 3hvfB1 ALA 126 H -0.11 0.72 -0.12 -0.55 8.40 8.34 3hvfB1 ALA 126 HA 0.01 -0.03 0.48 -0.75 4.34 4.05 3hvfB1 ALA 126 HB3 -0.06 0.00 0.02 -0.04 1.41 1.33 3hvfB1 LEU 127 H -0.17 0.57 -0.16 -0.55 8.37 8.07 3hvfB1 LEU 127 HA -0.01 0.06 0.57 -0.75 4.35 4.22 3hvfB1 LEU 127 HB2 -0.20 0.06 0.11 -0.04 1.64 1.57 3hvfB1 LEU 127 HB3 0.02 0.03 -0.11 -0.04 1.64 1.53 3hvfB1 LEU 127 HG -0.13 0.05 0.01 -0.04 1.64 1.53 3hvfB1 LEU 127 HD13 0.09 -0.01 -0.08 -0.04 0.93 0.88 3hvfB1 LEU 127 HD23 0.05 -0.01 -0.19 -0.04 0.89 0.70 3hvfB1 GLN 128 H -0.06 0.70 0.08 -0.55 8.47 8.64 3hvfB1 GLN 128 HA -0.09 0.09 0.69 -0.75 4.36 4.29 3hvfB1 GLN 128 HB2 -0.05 0.03 0.11 -0.04 2.15 2.20 3hvfB1 GLN 128 HB3 -0.27 0.08 0.11 -0.04 2.02 1.90 3hvfB1 GLN 128 HG2 0.03 0.17 -0.15 -0.04 2.40 2.40 3hvfB1 GLN 128 HG3 -0.07 -0.08 0.09 -0.04 2.39 2.29 3hvfB1 GLN 128 HE21 0.23 -0.04 0.04 -0.04 6.97 7.17 3hvfB1 GLN 128 HE22 0.22 0.37 0.17 -0.04 7.69 8.41 3hvfB1 TYR 129 H 0.12 0.30 -0.04 -0.55 8.29 8.12 3hvfB1 TYR 129 HA 0.06 0.19 0.91 -0.75 4.56 4.96 3hvfB1 TYR 129 HB2 -0.01 0.01 0.12 -0.04 3.06 3.14 3hvfB1 TYR 129 HB3 0.01 -0.07 0.10 -0.04 2.98 2.98 3hvfB1 TYR 129 HD2 -0.00 0.00 0.01 -0.04 7.15 7.11 3hvfB1 TYR 129 HE2 0.01 0.02 -0.04 -0.04 6.85 6.80 3hvfB1 SER 130 H 0.08 0.17 -0.28 -0.55 8.46 7.89 3hvfB1 SER 130 HA 0.09 0.38 0.41 -0.75 4.49 4.61 3hvfB1 SER 130 HB2 0.08 -0.03 -0.22 -0.04 3.95 3.74 3hvfB1 SER 130 HB3 0.16 0.03 0.21 -0.04 3.93 4.29 3hvfB1 ASP 131 H 0.11 0.39 -0.17 -0.55 8.40 8.19 3hvfB1 ASP 131 HA 0.08 0.15 0.48 -0.75 4.63 4.58 3hvfB1 ASP 131 HB2 0.01 0.12 -0.00 -0.04 2.71 2.80 3hvfB1 ASP 131 HB3 0.01 -0.02 -0.10 -0.04 2.70 2.55 3hvfB1 ASN 132 H 0.12 0.71 0.47 -0.55 8.53 9.28 3hvfB1 ASN 132 HA 0.06 0.11 0.58 -0.75 4.76 4.75 3hvfB1 ASN 132 HB2 0.10 -0.00 0.25 -0.04 2.88 3.19 3hvfB1 ASN 132 HB3 0.06 -0.06 0.07 -0.04 2.79 2.82 3hvfB1 ASN 132 HD21 0.05 0.09 0.08 -0.04 7.03 7.21 3hvfB1 ASN 132 HD22 0.10 -0.14 0.08 -0.04 7.74 7.74 3hvfB1 THR 133 H 0.02 0.12 0.02 -0.55 8.28 7.89 3hvfB1 THR 133 HA 0.01 0.22 0.51 -0.75 4.39 4.38 3hvfB1 THR 133 HB -0.01 -0.14 0.05 -0.04 4.32 4.19 3hvfB1 THR 133 HG23 -0.00 0.06 -0.19 -0.04 1.22 1.04 3hvfB1 ALA 134 H -0.01 -0.00 -0.32 -0.55 8.40 7.53 3hvfB1 ALA 134 HA -0.03 0.08 0.31 -0.75 4.34 3.94 3hvfB1 ALA 134 HB3 -0.04 0.09 0.06 -0.04 1.41 1.48 3hvfB1 MET 135 H 0.01 0.42 -0.16 -0.55 8.47 8.19 3hvfB1 MET 135 HA -0.00 0.04 0.40 -0.75 4.52 4.20 3hvfB1 MET 135 HB2 0.03 0.07 0.09 -0.04 2.15 2.30 3hvfB1 MET 135 HB3 0.03 0.06 0.18 -0.04 2.03 2.25 3hvfB1 MET 135 HG2 0.04 -0.00 -0.06 -0.04 2.63 2.57 3hvfB1 MET 135 HG3 0.03 -0.04 -0.25 -0.04 2.56 2.26 3hvfB1 MET 135 HE3 0.08 -0.00 -0.24 -0.04 2.10 1.90 3hvfB1 ASN 136 H 0.01 0.50 -0.21 -0.55 8.53 8.28 3hvfB1 ASN 136 HA 0.02 -0.06 0.43 -0.75 4.76 4.38 3hvfB1 ASN 136 HB2 0.01 0.14 0.23 -0.04 2.88 3.22 3hvfB1 ASN 136 HB3 0.01 0.01 0.06 -0.04 2.79 2.83 3hvfB1 ASN 136 HD21 0.02 0.42 0.18 -0.04 7.03 7.60 3hvfB1 ASN 136 HD22 0.01 0.08 0.07 -0.04 7.74 7.86 3hvfB1 LYS 137 H -0.01 0.43 -0.25 -0.55 8.42 8.05 3hvfB1 LYS 137 HA -0.00 0.04 0.51 -0.75 4.32 4.12 3hvfB1 LYS 137 HB2 -0.02 0.09 0.09 -0.04 1.87 1.98 3hvfB1 LYS 137 HB3 -0.02 -0.01 0.00 -0.04 1.79 1.72 3hvfB1 LYS 137 HG2 -0.01 0.15 -0.01 -0.04 1.46 1.56 3hvfB1 LYS 137 HG3 -0.02 -0.04 -0.08 -0.04 1.46 1.28 3hvfB1 LYS 137 HD2 -0.01 0.00 -0.00 -0.04 1.69 1.64 3hvfB1 LYS 137 HD3 -0.00 -0.03 -0.08 -0.04 1.68 1.53 3hvfB1 LYS 137 HE2 -0.00 -0.07 -0.02 -0.04 2.99 2.85 3hvfB1 LYS 137 HE3 -0.01 0.12 -0.02 -0.04 2.99 3.05 3hvfB1 LEU 138 H -0.01 0.45 -0.15 -0.55 8.37 8.12 3hvfB1 LEU 138 HA -0.02 0.05 0.39 -0.75 4.35 4.01 3hvfB1 LEU 138 HB2 -0.01 0.08 0.11 -0.04 1.64 1.77 3hvfB1 LEU 138 HB3 -0.02 0.00 -0.11 -0.04 1.64 1.47 3hvfB1 LEU 138 HG -0.04 0.21 -0.08 -0.04 1.64 1.69 3hvfB1 LEU 138 HD13 -0.06 -0.02 -0.13 -0.04 0.93 0.68 3hvfB1 LEU 138 HD23 -0.06 -0.02 -0.13 -0.04 0.89 0.65 3hvfB1 ILE 139 H 0.01 0.60 -0.09 -0.55 8.25 8.22 3hvfB1 ILE 139 HA 0.03 0.03 0.26 -0.75 4.18 3.74 3hvfB1 ILE 139 HB 0.02 0.11 0.10 -0.04 1.89 2.08 3hvfB1 ILE 139 HG12 0.05 -0.03 -0.07 -0.04 1.49 1.40 3hvfB1 ILE 139 HG13 0.03 0.13 0.00 -0.04 1.21 1.34 3hvfB1 ILE 139 HG23 0.03 -0.01 -0.35 -0.04 0.93 0.56 3hvfB1 ILE 139 HD13 0.04 -0.02 -0.07 -0.04 0.88 0.78 3hvfB1 ALA 140 H 0.01 0.53 -0.27 -0.55 8.40 8.12 3hvfB1 ALA 140 HA 0.01 -0.03 0.34 -0.75 4.34 3.91 3hvfB1 ALA 140 HB3 0.01 0.02 0.10 -0.04 1.41 1.49 3hvfB1 GLN 141 H 0.00 0.55 -0.18 -0.55 8.47 8.29 3hvfB1 GLN 141 HA 0.00 0.02 0.41 -0.75 4.36 4.03 3hvfB1 GLN 141 HB2 -0.01 -0.04 0.11 -0.04 2.15 2.18 3hvfB1 GLN 141 HB3 -0.01 0.13 0.17 -0.04 2.02 2.28 3hvfB1 GLN 141 HG2 -0.01 -0.08 -0.02 -0.04 2.40 2.26 3hvfB1 GLN 141 HG3 -0.01 0.03 -0.26 -0.04 2.39 2.11 3hvfB1 GLN 141 HE21 0.00 -0.02 0.03 -0.04 6.97 6.94 3hvfB1 GLN 141 HE22 -0.00 -0.00 -0.02 -0.04 7.69 7.63 3hvfB1 LEU 142 H 0.01 0.33 -0.47 -0.55 8.37 7.69 3hvfB1 LEU 142 HA 0.01 0.12 0.54 -0.75 4.35 4.26 3hvfB1 LEU 142 HB2 0.02 0.03 0.01 -0.04 1.64 1.66 3hvfB1 LEU 142 HB3 0.03 -0.08 -0.05 -0.04 1.64 1.49 3hvfB1 LEU 142 HG -0.02 0.12 -0.08 -0.04 1.64 1.63 3hvfB1 LEU 142 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.74 3hvfB1 LEU 142 HD23 -0.05 -0.00 -0.22 -0.04 0.89 0.59 3hvfB1 GLY 143 H 0.02 0.46 -0.43 -0.55 8.43 7.93 3hvfB1 GLY 143 HA2 0.02 0.05 0.29 -0.51 4.01 3.86 3hvfB1 GLY 143 HA3 0.02 0.07 0.57 -0.51 4.01 4.17 3hvfB1 GLY 144 H 0.03 0.56 -0.04 -0.55 8.43 8.43 3hvfB1 GLY 144 HA2 0.03 0.00 0.20 -0.51 4.01 3.72 3hvfB1 GLY 144 HA3 0.03 0.21 0.83 -0.51 4.01 4.57 3hvfB1 PRO 145 HA 0.07 0.01 0.30 -0.51 4.44 4.31 3hvfB1 PRO 145 HB2 0.03 0.17 -0.22 -0.04 2.28 2.22 3hvfB1 PRO 145 HB3 0.04 -0.11 -0.47 -0.04 2.02 1.43 3hvfB1 PRO 145 HG2 0.02 0.15 -0.35 -0.04 2.03 1.81 3hvfB1 PRO 145 HG3 0.03 0.02 -0.38 -0.04 2.03 1.67 3hvfB1 PRO 145 HD2 0.03 0.19 0.10 -0.04 3.68 3.95 3hvfB1 PRO 145 HD3 0.03 0.10 0.06 -0.04 3.65 3.79 3hvfB1 GLY 146 H 0.04 0.17 -0.32 -0.55 8.43 7.77 3hvfB1 GLY 146 HA2 0.07 0.07 0.40 -0.51 4.01 4.04 3hvfB1 GLY 146 HA3 0.05 0.10 0.23 -0.51 4.01 3.88 3hvfB1 GLY 147 H 0.06 0.41 -0.51 -0.55 8.43 7.85 3hvfB1 GLY 147 HA2 0.07 0.04 0.49 -0.51 4.01 4.09 3hvfB1 GLY 147 HA3 0.06 0.45 0.26 -0.51 4.01 4.26 3hvfB1 VAL 148 H 0.10 0.30 -0.23 -0.55 8.24 7.87 3hvfB1 VAL 148 HA 0.12 0.09 0.42 -0.75 4.13 4.00 3hvfB1 VAL 148 HB 0.23 0.12 0.10 -0.04 2.12 2.53 3hvfB1 VAL 148 HG13 0.20 -0.01 -0.21 -0.04 0.97 0.91 3hvfB1 VAL 148 HG23 0.09 0.02 -0.05 -0.04 0.95 0.97 3hvfB1 THR 149 H 0.19 0.42 -0.11 -0.55 8.28 8.23 3hvfB1 THR 149 HA 0.37 -0.01 0.33 -0.75 4.39 4.33 3hvfB1 THR 149 HB 0.12 0.15 0.15 -0.04 4.32 4.71 3hvfB1 THR 149 HG23 0.15 0.05 -0.01 -0.04 1.22 1.38 3hvfB1 ALA 150 H 0.11 0.55 -0.23 -0.55 8.40 8.28 3hvfB1 ALA 150 HA 0.06 0.00 0.36 -0.75 4.34 4.00 3hvfB1 ALA 150 HB3 0.07 0.04 0.11 -0.04 1.41 1.58 3hvfB1 PHE 151 H 0.19 0.42 -0.31 -0.55 8.34 8.09 3hvfB1 PHE 151 HA -0.01 0.05 0.44 -0.75 4.62 4.35 3hvfB1 PHE 151 HB2 -0.01 0.03 0.11 -0.04 3.15 3.24 3hvfB1 PHE 151 HB3 -0.05 0.11 0.15 -0.04 3.06 3.23 3hvfB1 PHE 151 HD2 -0.07 0.02 -0.05 -0.04 7.28 7.15 3hvfB1 PHE 151 HE2 -0.03 -0.01 -0.10 -0.04 7.38 7.20 3hvfB1 PHE 151 HZ -0.01 -0.01 -0.21 -0.04 7.32 7.05 3hvfB1 ALA 152 H -0.02 0.46 -0.17 -0.55 8.40 8.13 3hvfB1 ALA 152 HA -0.38 -0.05 0.40 -0.75 4.34 3.55 3hvfB1 ALA 152 HB3 -0.22 0.01 0.07 -0.04 1.41 1.23 3hvfB1 ARG 153 H -0.03 0.55 -0.16 -0.55 8.46 8.28 3hvfB1 ARG 153 HA -0.04 0.05 0.30 -0.75 4.34 3.90 3hvfB1 ARG 153 HB2 -0.00 0.11 0.09 -0.04 1.90 2.07 3hvfB1 ARG 153 HB3 -0.00 -0.07 -0.00 -0.04 1.80 1.69 3hvfB1 ARG 153 HG2 0.05 0.18 0.04 -0.04 1.67 1.90 3hvfB1 ARG 153 HG3 0.03 -0.06 -0.03 -0.04 1.67 1.57 3hvfB1 ARG 153 HD2 0.02 -0.06 -0.02 -0.04 3.22 3.12 3hvfB1 ARG 153 HD3 0.02 0.12 0.01 -0.04 3.22 3.33 3hvfB1 ALA 154 H -0.11 0.48 -0.24 -0.55 8.40 7.98 3hvfB1 ALA 154 HA -0.06 0.01 0.44 -0.75 4.34 3.98 3hvfB1 ALA 154 HB3 -0.07 0.02 0.12 -0.04 1.41 1.43 3hvfB1 ILE 155 H -0.33 0.40 -0.32 -0.55 8.25 7.44 3hvfB1 ILE 155 HA -0.15 0.19 0.83 -0.75 4.18 4.30 3hvfB1 ILE 155 HB -0.19 -0.10 0.15 -0.04 1.89 1.71 3hvfB1 ILE 155 HG12 -0.65 0.19 0.09 -0.04 1.49 1.08 3hvfB1 ILE 155 HG13 -0.25 -0.06 -0.10 -0.04 1.21 0.76 3hvfB1 ILE 155 HG23 -0.54 0.03 -0.07 -0.04 0.93 0.32 3hvfB1 ILE 155 HD13 -0.26 -0.05 -0.06 -0.04 0.88 0.47 3hvfB1 GLY 156 H -0.11 0.44 -0.47 -0.55 8.43 7.75 3hvfB1 GLY 156 HA2 -0.04 0.06 0.24 -0.51 4.01 3.75 3hvfB1 GLY 156 HA3 -0.05 0.08 0.50 -0.51 4.01 4.03 3hvfB1 ASP 157 H -0.10 0.62 -0.09 -0.55 8.40 8.28 3hvfB1 ASP 157 HA -0.00 0.05 0.74 -0.75 4.63 4.66 3hvfB1 ASP 157 HB2 -0.06 0.07 0.01 -0.04 2.71 2.68 3hvfB1 ASP 157 HB3 -0.07 0.06 0.10 -0.04 2.70 2.74 3hvfB1 GLU 158 H 0.02 0.21 0.08 -0.55 8.60 8.37 3hvfB1 GLU 158 HA 0.03 0.00 0.60 -0.75 4.29 4.17 3hvfB1 GLU 158 HB2 0.02 0.00 0.02 -0.04 2.09 2.09 3hvfB1 GLU 158 HB3 0.02 0.00 0.10 -0.04 1.99 2.07 3hvfB1 GLU 158 HG2 0.00 0.00 -0.27 -0.04 2.34 2.03 3hvfB1 GLU 158 HG3 0.00 0.00 -0.03 -0.04 2.34 2.27 3hvfB1 THR 159 H 0.08 -0.08 -0.25 -0.55 8.28 7.49 3hvfB1 THR 159 HA 0.05 0.28 0.80 -0.75 4.39 4.77 3hvfB1 THR 159 HB 0.09 -0.12 0.07 -0.04 4.32 4.32 3hvfB1 THR 159 HG23 0.07 -0.00 -0.13 -0.04 1.22 1.12 3hvfB1 PHE 160 H 0.23 -0.09 -0.04 -0.55 8.34 7.89 3hvfB1 PHE 160 HA 0.05 0.11 0.47 -0.75 4.62 4.50 3hvfB1 PHE 160 HB2 0.05 -0.08 0.02 -0.04 3.15 3.10 3hvfB1 PHE 160 HB3 0.03 0.05 -0.02 -0.04 3.06 3.08 3hvfB1 PHE 160 HD2 0.06 -0.01 -0.30 -0.04 7.28 6.99 3hvfB1 PHE 160 HE2 0.07 -0.06 -0.23 -0.04 7.38 7.12 3hvfB1 PHE 160 HZ 0.07 -0.02 -0.14 -0.04 7.32 7.19 3hvfB1 ARG 161 H -0.56 0.45 0.23 -0.55 8.46 8.03 3hvfB1 ARG 161 HA -0.00 0.09 0.56 -0.75 4.34 4.23 3hvfB1 ARG 161 HB2 -0.05 -0.06 -0.03 -0.04 1.90 1.71 3hvfB1 ARG 161 HB3 -0.02 0.18 -0.08 -0.04 1.80 1.84 3hvfB1 ARG 161 HG2 -0.11 0.21 0.09 -0.04 1.67 1.81 3hvfB1 ARG 161 HG3 -0.14 -0.33 0.14 -0.04 1.67 1.31 3hvfB1 ARG 161 HD2 -0.03 0.05 -0.08 -0.04 3.22 3.13 3hvfB1 ARG 161 HD3 -0.05 0.14 -0.05 -0.04 3.22 3.22 3hvfB1 LEU 162 H 0.02 0.27 0.08 -0.55 8.37 8.19 3hvfB1 LEU 162 HA -0.16 0.07 0.91 -0.75 4.35 4.41 3hvfB1 LEU 162 HB2 0.17 0.00 -0.01 -0.04 1.64 1.75 3hvfB1 LEU 162 HB3 0.14 0.13 0.12 -0.04 1.64 1.99 3hvfB1 LEU 162 HG 0.02 0.01 0.03 -0.04 1.64 1.66 3hvfB1 LEU 162 HD13 -0.01 -0.00 0.07 -0.04 0.93 0.95 3hvfB1 LEU 162 HD23 0.12 -0.01 -0.03 -0.04 0.89 0.93 3hvfB1 ASP 163 H -0.05 0.04 0.19 -0.55 8.40 8.03 3hvfB1 ASP 163 HA 0.00 0.24 0.90 -0.75 4.63 5.02 3hvfB1 ASP 163 HB2 -0.03 -0.04 0.02 -0.04 2.71 2.61 3hvfB1 ASP 163 HB3 -0.02 0.07 -0.02 -0.04 2.70 2.69 3hvfB1 ARG 164 H -0.01 -0.00 0.18 -0.55 8.46 8.07 3hvfB1 ARG 164 HA 0.01 0.26 0.90 -0.75 4.34 4.75 3hvfB1 ARG 164 HB2 -0.01 -0.04 -0.08 -0.04 1.90 1.73 3hvfB1 ARG 164 HB3 0.00 0.00 0.03 -0.04 1.80 1.79 3hvfB1 ARG 164 HG2 -0.00 0.08 -0.05 -0.04 1.67 1.66 3hvfB1 ARG 164 HG3 -0.01 -0.07 -0.46 -0.04 1.67 1.09 3hvfB1 ARG 164 HD2 -0.00 -0.02 -0.14 -0.04 3.22 3.01 3hvfB1 ARG 164 HD3 -0.01 0.05 -0.08 -0.04 3.22 3.13 3hvfB1 THR 165 H 0.01 0.16 0.11 -0.55 8.28 8.01 3hvfB1 THR 165 HA 0.02 0.16 0.70 -0.75 4.39 4.53 3hvfB1 THR 165 HB 0.02 -0.00 0.18 -0.04 4.32 4.47 3hvfB1 THR 165 HG23 0.02 0.02 -0.02 -0.04 1.22 1.19 3hvfB1 GLU 166 H 0.02 0.18 0.14 -0.55 8.60 8.40 3hvfB1 GLU 166 HA 0.02 0.00 0.65 -0.75 4.29 4.21 3hvfB1 GLU 166 HB2 0.03 0.08 0.13 -0.04 2.09 2.29 3hvfB1 GLU 166 HB3 0.04 -0.02 0.07 -0.04 1.99 2.04 3hvfB1 GLU 166 HG2 0.03 -0.05 0.00 -0.04 2.34 2.28 3hvfB1 GLU 166 HG3 0.04 0.06 0.13 -0.04 2.34 2.52 3hvfB1 PRO 167 HA 0.02 0.02 0.42 -0.51 4.44 4.39 3hvfB1 PRO 167 HB2 0.02 0.09 0.07 -0.04 2.28 2.41 3hvfB1 PRO 167 HB3 0.03 -0.06 0.12 -0.04 2.02 2.06 3hvfB1 PRO 167 HG2 0.01 0.08 -0.01 -0.04 2.03 2.07 3hvfB1 PRO 167 HG3 0.02 0.07 0.08 -0.04 2.03 2.15 3hvfB1 PRO 167 HD2 0.01 0.11 0.20 -0.04 3.68 3.96 3hvfB1 PRO 167 HD3 0.02 0.15 0.36 -0.04 3.65 4.14 3hvfB1 THR 168 H 0.01 0.22 -0.04 -0.55 8.28 7.92 3hvfB1 THR 168 HA 0.01 0.11 0.39 -0.75 4.39 4.14 3hvfB1 THR 168 HB 0.00 0.02 0.12 -0.04 4.32 4.42 3hvfB1 THR 168 HG23 0.01 0.02 0.02 -0.04 1.22 1.23 3hvfB1 LEU 169 H 0.01 0.35 -0.29 -0.55 8.37 7.89 3hvfB1 LEU 169 HA -0.01 0.05 0.37 -0.75 4.35 4.01 3hvfB1 LEU 169 HB2 -0.02 -0.03 0.11 -0.04 1.64 1.66 3hvfB1 LEU 169 HB3 -0.00 0.04 -0.18 -0.04 1.64 1.47 3hvfB1 LEU 169 HG 0.01 -0.06 -0.23 -0.04 1.64 1.33 3hvfB1 LEU 169 HD13 0.00 0.01 -0.30 -0.04 0.93 0.61 3hvfB1 LEU 169 HD23 0.02 -0.02 -0.24 -0.04 0.89 0.61 3hvfB1 ASN 170 H 0.00 0.37 -0.51 -0.55 8.53 7.84 3hvfB1 ASN 170 HA -0.01 0.13 0.78 -0.75 4.76 4.91 3hvfB1 ASN 170 HB2 0.01 0.11 0.14 -0.04 2.88 3.10 3hvfB1 ASN 170 HB3 0.00 -0.00 0.33 -0.04 2.79 3.08 3hvfB1 ASN 170 HD21 0.02 -0.10 0.02 -0.04 7.03 6.93 3hvfB1 ASN 170 HD22 0.01 0.32 0.16 -0.04 7.74 8.19 3hvfB1 THR 171 H 0.00 0.38 -0.19 -0.55 8.28 7.92 3hvfB1 THR 171 HA 0.04 0.04 0.42 -0.75 4.39 4.14 3hvfB1 THR 171 HB 0.05 0.00 0.07 -0.04 4.32 4.40 3hvfB1 THR 171 HG23 0.02 0.03 0.10 -0.04 1.22 1.32 3hvfB1 ALA 172 H -0.01 0.10 -0.26 -0.55 8.40 7.68 3hvfB1 ALA 172 HA -0.06 0.04 0.19 -0.75 4.34 3.77 3hvfB1 ALA 172 HB3 0.05 0.02 -0.14 -0.04 1.41 1.29 3hvfB1 ILE 173 H -0.06 -0.05 -0.29 -0.55 8.25 7.30 3hvfB1 ILE 173 HA -0.44 0.16 0.45 -0.75 4.18 3.60 3hvfB1 ILE 173 HB -0.08 -0.10 0.03 -0.04 1.89 1.71 3hvfB1 ILE 173 HG12 0.08 0.05 -0.02 -0.04 1.49 1.56 3hvfB1 ILE 173 HG13 0.03 -0.07 -0.19 -0.04 1.21 0.94 3hvfB1 ILE 173 HG23 -0.09 0.05 -0.11 -0.04 0.93 0.74 3hvfB1 ILE 173 HD13 0.00 -0.01 -0.02 -0.04 0.88 0.81 3hvfB1 PRO 174 HA -0.25 0.03 0.35 -0.51 4.44 4.06 3hvfB1 PRO 174 HB2 -0.19 -0.01 0.06 -0.04 2.28 2.10 3hvfB1 PRO 174 HB3 -0.21 0.03 0.08 -0.04 2.02 1.87 3hvfB1 PRO 174 HG2 -0.33 0.02 0.13 -0.04 2.03 1.81 3hvfB1 PRO 174 HG3 -0.57 0.14 0.12 -0.04 2.03 1.68 3hvfB1 PRO 174 HD2 -0.46 0.02 0.21 -0.04 3.68 3.41 3hvfB1 PRO 174 HD3 -1.63 0.23 0.30 -0.04 3.65 2.51 3hvfB1 GLY 175 H -0.16 0.15 0.09 -0.55 8.43 7.96 3hvfB1 GLY 175 HA2 -0.11 -0.02 0.29 -0.51 4.01 3.67 3hvfB1 GLY 175 HA3 -0.09 0.11 0.47 -0.51 4.01 3.98 3hvfB1 ASP 176 H -0.12 0.49 -0.52 -0.55 8.40 7.70 3hvfB1 ASP 176 HA -0.06 0.09 0.49 -0.75 4.63 4.39 3hvfB1 ASP 176 HB2 -0.08 0.02 -0.04 -0.04 2.71 2.58 3hvfB1 ASP 176 HB3 -0.09 0.08 0.08 -0.04 2.70 2.74 3hvfB1 PRO 177 HA -0.07 0.10 0.35 -0.51 4.44 4.32 3hvfB1 PRO 177 HB2 -0.04 -0.01 -0.03 -0.04 2.28 2.16 3hvfB1 PRO 177 HB3 -0.04 0.05 0.03 -0.04 2.02 2.01 3hvfB1 PRO 177 HG2 -0.04 -0.03 -0.02 -0.04 2.03 1.90 3hvfB1 PRO 177 HG3 -0.04 0.05 0.04 -0.04 2.03 2.05 3hvfB1 PRO 177 HD2 -0.05 0.01 0.21 -0.04 3.68 3.81 3hvfB1 PRO 177 HD3 -0.05 0.36 0.28 -0.04 3.65 4.19 3hvfB1 ARG 178 H -0.05 0.05 -0.36 -0.55 8.46 7.55 3hvfB1 ARG 178 HA -0.06 0.02 0.30 -0.75 4.34 3.85 3hvfB1 ARG 178 HB2 -0.04 0.02 -0.01 -0.04 1.90 1.82 3hvfB1 ARG 178 HB3 -0.04 -0.08 -0.07 -0.04 1.80 1.57 3hvfB1 ARG 178 HG2 -0.03 0.01 -0.03 -0.04 1.67 1.57 3hvfB1 ARG 178 HG3 -0.03 0.01 -0.02 -0.04 1.67 1.59 3hvfB1 ARG 178 HD2 -0.02 -0.04 -0.07 -0.04 3.22 3.05 3hvfB1 ARG 178 HD3 -0.02 0.04 -0.04 -0.04 3.22 3.17 3hvfB1 ASP 179 H -0.10 0.07 0.12 -0.55 8.40 7.94 3hvfB1 ASP 179 HA -0.19 0.22 0.59 -0.75 4.63 4.49 3hvfB1 ASP 179 HB2 -0.07 0.25 0.05 -0.04 2.71 2.90 3hvfB1 ASP 179 HB3 -0.08 -0.05 0.32 -0.04 2.70 2.85 3hvfB1 THR 180 H -0.15 0.25 0.01 -0.55 8.28 7.84 3hvfB1 THR 180 HA -0.10 0.14 1.12 -0.75 4.39 4.79 3hvfB1 THR 180 HB -0.03 -0.07 -0.05 -0.04 4.32 4.12 3hvfB1 THR 180 HG23 -0.08 0.03 -0.56 -0.04 1.22 0.56 3hvfB1 THR 181 H 0.04 0.54 0.28 -0.55 8.28 8.60 3hvfB1 THR 181 HA 0.06 0.18 0.20 -0.75 4.39 4.06 3hvfB1 THR 181 HB 0.08 0.04 -0.11 -0.04 4.32 4.30 3hvfB1 THR 181 HG23 0.29 0.02 -0.26 -0.04 1.22 1.23 3hvfB1 THR 182 H 0.14 0.02 0.05 -0.55 8.28 7.94 3hvfB1 THR 182 HA 0.27 0.57 0.86 -0.75 4.39 5.34 3hvfB1 THR 182 HB 0.12 0.25 0.02 -0.04 4.32 4.67 3hvfB1 THR 182 HG23 0.08 0.02 -0.42 -0.04 1.22 0.86 3hvfB1 PRO 183 HA -0.13 0.02 0.39 -0.51 4.44 4.21 3hvfB1 PRO 183 HB2 -0.01 0.02 -0.14 -0.04 2.28 2.11 3hvfB1 PRO 183 HB3 -0.17 0.01 -0.25 -0.04 2.02 1.57 3hvfB1 PRO 183 HG2 0.01 0.13 -0.08 -0.04 2.03 2.05 3hvfB1 PRO 183 HG3 -0.19 0.02 -0.12 -0.04 2.03 1.70 3hvfB1 PRO 183 HD2 0.22 0.15 0.10 -0.04 3.68 4.11 3hvfB1 PRO 183 HD3 0.45 0.32 0.15 -0.04 3.65 4.53 3hvfB1 ARG 184 H 0.05 0.72 0.01 -0.55 8.46 8.69 3hvfB1 ARG 184 HA -0.00 0.06 0.39 -0.75 4.34 4.03 3hvfB1 ARG 184 HB2 0.02 -0.01 0.04 -0.04 1.90 1.91 3hvfB1 ARG 184 HB3 0.03 -0.02 0.04 -0.04 1.80 1.82 3hvfB1 ARG 184 HG2 0.01 -0.02 -0.18 -0.04 1.67 1.44 3hvfB1 ARG 184 HG3 0.01 0.01 -0.01 -0.04 1.67 1.63 3hvfB1 ARG 184 HD2 0.02 -0.00 -0.09 -0.04 3.22 3.11 3hvfB1 ARG 184 HD3 0.01 0.05 -0.07 -0.04 3.22 3.17 3hvfB1 ALA 185 H 0.06 0.13 -0.23 -0.55 8.40 7.81 3hvfB1 ALA 185 HA 0.03 0.13 0.43 -0.75 4.34 4.18 3hvfB1 ALA 185 HB3 0.08 -0.01 0.07 -0.04 1.41 1.51 3hvfB1 MET 186 H 0.07 0.60 -0.16 -0.55 8.47 8.43 3hvfB1 MET 186 HA 0.08 0.00 0.41 -0.75 4.52 4.26 3hvfB1 MET 186 HB2 0.18 0.00 -0.02 -0.04 2.15 2.26 3hvfB1 MET 186 HB3 -0.03 0.00 0.00 -0.04 2.03 1.97 3hvfB1 MET 186 HG2 0.14 0.00 -0.11 -0.04 2.63 2.62 3hvfB1 MET 186 HG3 0.03 -0.02 -0.15 -0.04 2.56 2.39 3hvfB1 MET 186 HE3 0.32 0.02 -0.18 -0.04 2.10 2.21 3hvfB1 ALA 187 H -0.03 0.66 -0.19 -0.55 8.40 8.29 3hvfB1 ALA 187 HA -0.05 0.01 0.36 -0.75 4.34 3.91 3hvfB1 ALA 187 HB3 -0.05 0.04 -0.03 -0.04 1.41 1.33 3hvfB1 GLN 188 H -0.01 0.48 -0.19 -0.55 8.47 8.20 3hvfB1 GLN 188 HA -0.02 0.04 0.33 -0.75 4.36 3.96 3hvfB1 GLN 188 HB2 -0.01 0.04 0.09 -0.04 2.15 2.23 3hvfB1 GLN 188 HB3 -0.00 0.05 0.15 -0.04 2.02 2.17 3hvfB1 GLN 188 HG2 -0.01 0.01 -0.02 -0.04 2.40 2.34 3hvfB1 GLN 188 HG3 -0.01 0.01 -0.19 -0.04 2.39 2.16 3hvfB1 GLN 188 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.92 3hvfB1 GLN 188 HE22 -0.01 0.04 -0.02 -0.04 7.69 7.65 3hvfB1 THR 189 H 0.00 0.51 -0.16 -0.55 8.28 8.08 3hvfB1 THR 189 HA -0.03 0.09 0.42 -0.75 4.39 4.11 3hvfB1 THR 189 HB 0.02 -0.00 0.13 -0.04 4.32 4.43 3hvfB1 THR 189 HG23 -0.04 -0.01 -0.18 -0.04 1.22 0.95 3hvfB1 LEU 190 H -0.00 0.67 -0.14 -0.55 8.37 8.35 3hvfB1 LEU 190 HA 0.01 -0.01 0.32 -0.75 4.35 3.92 3hvfB1 LEU 190 HB2 0.01 0.02 0.06 -0.04 1.64 1.69 3hvfB1 LEU 190 HB3 -0.03 0.07 0.06 -0.04 1.64 1.70 3hvfB1 LEU 190 HG -0.02 -0.01 -0.17 -0.04 1.64 1.39 3hvfB1 LEU 190 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 3hvfB1 LEU 190 HD23 -0.02 -0.01 -0.21 -0.04 0.89 0.61 3hvfB1 ARG 191 H -0.03 0.58 -0.28 -0.55 8.46 8.18 3hvfB1 ARG 191 HA -0.06 0.01 0.42 -0.75 4.34 3.95 3hvfB1 ARG 191 HB2 -0.06 -0.00 0.07 -0.04 1.90 1.86 3hvfB1 ARG 191 HB3 -0.04 0.16 0.13 -0.04 1.80 2.01 3hvfB1 ARG 191 HG2 -0.05 -0.04 -0.32 -0.04 1.67 1.22 3hvfB1 ARG 191 HG3 -0.07 -0.03 -0.04 -0.04 1.67 1.49 3hvfB1 ARG 191 HD2 -0.05 -0.03 -0.07 -0.04 3.22 3.03 3hvfB1 ARG 191 HD3 -0.03 0.02 -0.06 -0.04 3.22 3.10 3hvfB1 GLN 192 H -0.03 0.60 -0.08 -0.55 8.47 8.42 3hvfB1 GLN 192 HA -0.03 -0.05 0.44 -0.75 4.36 3.96 3hvfB1 GLN 192 HB2 -0.03 0.11 0.17 -0.04 2.15 2.36 3hvfB1 GLN 192 HB3 -0.02 -0.09 0.06 -0.04 2.02 1.93 3hvfB1 GLN 192 HG2 -0.02 0.23 0.10 -0.04 2.40 2.66 3hvfB1 GLN 192 HG3 -0.03 0.07 0.02 -0.04 2.39 2.41 3hvfB1 GLN 192 HE21 0.02 -0.03 0.02 -0.04 6.97 6.94 3hvfB1 GLN 192 HE22 -0.01 0.10 0.02 -0.04 7.69 7.76 3hvfB1 LEU 193 H -0.00 0.57 -0.26 -0.55 8.37 8.13 3hvfB1 LEU 193 HA 0.04 -0.02 0.40 -0.75 4.35 4.01 3hvfB1 LEU 193 HB2 0.04 0.06 0.05 -0.04 1.64 1.75 3hvfB1 LEU 193 HB3 0.08 -0.06 -0.11 -0.04 1.64 1.51 3hvfB1 LEU 193 HG 0.03 0.16 -0.04 -0.04 1.64 1.75 3hvfB1 LEU 193 HD13 0.09 -0.03 -0.18 -0.04 0.93 0.77 3hvfB1 LEU 193 HD23 0.19 -0.02 -0.12 -0.04 0.89 0.89 3hvfB1 THR 194 H -0.00 0.54 -0.07 -0.55 8.28 8.20 3hvfB1 THR 194 HA 0.04 0.16 0.87 -0.75 4.39 4.71 3hvfB1 THR 194 HB 0.09 -0.05 0.05 -0.04 4.32 4.37 3hvfB1 THR 194 HG23 0.06 -0.03 -0.09 -0.04 1.22 1.12 3hvfB1 LEU 195 H -0.04 0.43 0.05 -0.55 8.37 8.26 3hvfB1 LEU 195 HA -0.01 0.17 0.94 -0.75 4.35 4.70 3hvfB1 LEU 195 HB2 -0.06 0.05 0.04 -0.04 1.64 1.62 3hvfB1 LEU 195 HB3 -0.04 -0.02 0.06 -0.04 1.64 1.59 3hvfB1 LEU 195 HG -0.08 -0.11 -0.28 -0.04 1.64 1.13 3hvfB1 LEU 195 HD13 -0.19 -0.02 -0.10 -0.04 0.93 0.59 3hvfB1 LEU 195 HD23 0.02 0.05 -0.05 -0.04 0.89 0.87 3hvfB1 GLY 196 H -0.09 0.13 0.04 -0.55 8.43 7.96 3hvfB1 GLY 196 HA2 -0.25 0.16 0.72 -0.51 4.01 4.13 3hvfB1 GLY 196 HA3 -0.10 -0.10 0.43 -0.51 4.01 3.74 3hvfB1 HIS 197 H -0.00 0.08 0.15 -0.55 8.41 8.10 3hvfB1 HIS 197 HA 0.02 0.31 0.93 -0.75 4.63 5.13 3hvfB1 HIS 197 HB2 0.00 -0.01 0.08 -0.04 3.26 3.30 3hvfB1 HIS 197 HB3 0.01 0.00 0.14 -0.04 3.20 3.30 3hvfB1 HIS 197 HD2 0.00 -0.02 -0.05 -0.04 6.97 6.86 3hvfB1 HIS 197 HE1 0.01 -0.04 -0.05 -0.04 7.75 7.62 3hvfB1 ALA 198 H 0.01 0.38 -0.03 -0.55 8.40 8.21 3hvfB1 ALA 198 HA 0.03 0.09 0.42 -0.75 4.34 4.13 3hvfB1 ALA 198 HB3 0.00 -0.01 -0.07 -0.04 1.41 1.29 3hvfB1 LEU 199 H 0.05 0.15 -0.20 -0.55 8.37 7.83 3hvfB1 LEU 199 HA 0.09 0.19 0.81 -0.75 4.35 4.69 3hvfB1 LEU 199 HB2 0.04 0.05 -0.07 -0.04 1.64 1.62 3hvfB1 LEU 199 HB3 0.05 -0.12 -0.04 -0.04 1.64 1.48 3hvfB1 LEU 199 HG 0.13 -0.05 -0.21 -0.04 1.64 1.48 3hvfB1 LEU 199 HD13 0.07 0.01 -0.14 -0.04 0.93 0.83 3hvfB1 LEU 199 HD23 0.15 0.04 -0.12 -0.04 0.89 0.92 3hvfB1 GLY 200 H 0.05 0.13 0.09 -0.55 8.43 8.15 3hvfB1 GLY 200 HA2 0.05 0.19 0.50 -0.51 4.01 4.25 3hvfB1 GLY 200 HA3 0.03 0.04 0.33 -0.51 4.01 3.90 3hvfB1 GLU 201 H 0.04 0.20 0.16 -0.55 8.60 8.45 3hvfB1 GLU 201 HA 0.02 0.00 0.31 -0.75 4.29 3.87 3hvfB1 GLU 201 HB2 0.04 0.00 0.17 -0.04 2.09 2.26 3hvfB1 GLU 201 HB3 0.01 -0.04 0.08 -0.04 1.99 2.00 3hvfB1 GLU 201 HG2 0.00 0.00 -0.07 -0.04 2.34 2.24 3hvfB1 GLU 201 HG3 0.04 0.08 0.04 -0.04 2.34 2.46 3hvfB1 THR 202 H -0.01 0.15 -0.11 -0.55 8.28 7.76 3hvfB1 THR 202 HA -0.05 0.12 0.40 -0.75 4.39 4.10 3hvfB1 THR 202 HB -0.03 0.00 0.03 -0.04 4.32 4.28 3hvfB1 THR 202 HG23 -0.06 0.02 -0.09 -0.04 1.22 1.05 3hvfB1 GLN 203 H -0.02 0.11 -0.35 -0.55 8.47 7.65 3hvfB1 GLN 203 HA -0.10 0.07 0.39 -0.75 4.36 3.98 3hvfB1 GLN 203 HB2 0.00 0.04 0.04 -0.04 2.15 2.19 3hvfB1 GLN 203 HB3 -0.01 0.02 -0.06 -0.04 2.02 1.92 3hvfB1 GLN 203 HG2 0.00 0.26 -0.09 -0.04 2.40 2.52 3hvfB1 GLN 203 HG3 -0.03 -0.01 -0.06 -0.04 2.39 2.25 3hvfB1 GLN 203 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.90 3hvfB1 GLN 203 HE22 -0.01 0.09 -0.13 -0.04 7.69 7.59 3hvfB1 ARG 204 H -0.01 0.60 -0.17 -0.55 8.46 8.31 3hvfB1 ARG 204 HA 0.00 0.00 0.41 -0.75 4.34 4.00 3hvfB1 ARG 204 HB2 -0.01 0.00 -0.05 -0.04 1.90 1.80 3hvfB1 ARG 204 HB3 -0.01 0.00 0.07 -0.04 1.80 1.81 3hvfB1 ARG 204 HG2 0.01 0.00 -0.18 -0.04 1.67 1.46 3hvfB1 ARG 204 HG3 -0.01 0.00 -0.16 -0.04 1.67 1.46 3hvfB1 ARG 204 HD2 -0.03 0.00 -0.31 -0.04 3.22 2.84 3hvfB1 ARG 204 HD3 -0.08 0.00 -0.16 -0.04 3.22 2.94 3hvfB1 ALA 205 H -0.05 0.55 -0.17 -0.55 8.40 8.19 3hvfB1 ALA 205 HA -0.05 0.06 0.40 -0.75 4.34 4.00 3hvfB1 ALA 205 HB3 -0.07 0.03 0.09 -0.04 1.41 1.41 3hvfB1 GLN 206 H -0.18 0.46 -0.25 -0.55 8.47 7.96 3hvfB1 GLN 206 HA -0.45 0.02 0.43 -0.75 4.36 3.60 3hvfB1 GLN 206 HB2 -0.37 0.04 0.10 -0.04 2.15 1.88 3hvfB1 GLN 206 HB3 -0.39 0.09 0.14 -0.04 2.02 1.82 3hvfB1 GLN 206 HG2 -0.91 -0.03 -0.04 -0.04 2.40 1.37 3hvfB1 GLN 206 HG3 -2.16 -0.02 -0.24 -0.04 2.39 -0.07 3hvfB1 GLN 206 HE21 -0.28 0.00 -0.02 -0.04 6.97 6.63 3hvfB1 GLN 206 HE22 -0.33 0.00 -0.02 -0.04 7.69 7.30 3hvfB1 LEU 207 H -0.14 0.58 -0.15 -0.55 8.37 8.12 3hvfB1 LEU 207 HA 0.19 -0.03 0.37 -0.75 4.35 4.12 3hvfB1 LEU 207 HB2 0.08 -0.01 0.07 -0.04 1.64 1.73 3hvfB1 LEU 207 HB3 0.04 0.20 0.15 -0.04 1.64 1.99 3hvfB1 LEU 207 HG 0.13 -0.02 -0.26 -0.04 1.64 1.45 3hvfB1 LEU 207 HD13 0.24 -0.03 -0.02 -0.04 0.93 1.07 3hvfB1 LEU 207 HD23 0.09 0.01 -0.15 -0.04 0.89 0.80 3hvfB1 VAL 208 H -0.00 0.60 -0.12 -0.55 8.24 8.17 3hvfB1 VAL 208 HA 0.14 -0.04 0.40 -0.75 4.13 3.88 3hvfB1 VAL 208 HB 0.02 0.10 0.17 -0.04 2.12 2.37 3hvfB1 VAL 208 HG13 0.13 -0.02 -0.11 -0.04 0.97 0.93 3hvfB1 VAL 208 HG23 0.16 0.04 0.08 -0.04 0.95 1.19 3hvfB1 THR 209 H -0.10 0.63 -0.12 -0.55 8.28 8.14 3hvfB1 THR 209 HA -0.03 0.00 0.38 -0.75 4.39 3.99 3hvfB1 THR 209 HB -0.29 0.09 0.17 -0.04 4.32 4.24 3hvfB1 THR 209 HG23 -0.05 -0.02 -0.11 -0.04 1.22 0.99 3hvfB1 TRP 210 H 0.01 0.58 -0.21 -0.55 7.97 7.80 3hvfB1 TRP 210 HA 0.02 0.01 0.43 -0.75 4.62 4.34 3hvfB1 TRP 210 HB2 0.03 0.15 0.17 -0.04 3.23 3.53 3hvfB1 TRP 210 HB3 0.03 -0.09 -0.05 -0.04 3.23 3.08 3hvfB1 TRP 210 HD1 0.03 0.03 -0.03 -0.04 7.22 7.21 3hvfB1 TRP 210 HE1 0.02 -0.03 -0.03 -0.04 10.20 10.12 3hvfB1 TRP 210 HE3 0.02 0.02 -0.11 -0.04 7.59 7.47 3hvfB1 TRP 210 HZ2 0.00 -0.05 0.00 -0.04 7.44 7.36 3hvfB1 TRP 210 HZ3 -0.01 0.01 -0.11 -0.04 7.13 6.99 3hvfB1 TRP 210 HH2 -0.01 -0.04 -0.03 -0.04 7.19 7.07 3hvfB1 LEU 211 H 0.23 0.61 -0.04 -0.55 8.37 8.63 3hvfB1 LEU 211 HA 0.14 0.06 0.43 -0.75 4.35 4.22 3hvfB1 LEU 211 HB2 0.17 0.12 0.15 -0.04 1.64 2.04 3hvfB1 LEU 211 HB3 0.13 -0.20 -0.08 -0.04 1.64 1.46 3hvfB1 LEU 211 HG 0.18 0.19 0.03 -0.04 1.64 2.01 3hvfB1 LEU 211 HD13 0.11 -0.03 -0.13 -0.04 0.93 0.84 3hvfB1 LEU 211 HD23 0.11 -0.03 -0.15 -0.04 0.89 0.78 3hvfB1 LYS 212 H 0.13 0.66 -0.10 -0.55 8.42 8.55 3hvfB1 LYS 212 HA 0.12 0.09 0.65 -0.75 4.32 4.41 3hvfB1 LYS 212 HB2 0.04 0.11 0.15 -0.04 1.87 2.12 3hvfB1 LYS 212 HB3 0.03 -0.04 0.08 -0.04 1.79 1.82 3hvfB1 LYS 212 HG2 0.13 -0.02 -0.17 -0.04 1.46 1.35 3hvfB1 LYS 212 HG3 0.14 0.02 -0.00 -0.04 1.46 1.58 3hvfB1 LYS 212 HD2 -0.13 -0.00 -0.13 -0.04 1.69 1.38 3hvfB1 LYS 212 HD3 -0.12 -0.00 -0.03 -0.04 1.68 1.49 3hvfB1 LYS 212 HE2 -0.33 -0.06 -0.12 -0.04 2.99 2.45 3hvfB1 LYS 212 HE3 -0.95 -0.02 -0.10 -0.04 2.99 1.88 3hvfB1 GLY 213 H 0.11 0.34 -0.46 -0.55 8.43 7.88 3hvfB1 GLY 213 HA2 0.04 0.08 0.62 -0.51 4.01 4.24 3hvfB1 GLY 213 HA3 0.08 -0.05 0.34 -0.51 4.01 3.88 3hvfB1 ASN 214 H 0.05 0.38 -0.30 -0.55 8.53 8.12 3hvfB1 ASN 214 HA -0.06 -0.03 0.59 -0.75 4.76 4.50 3hvfB1 ASN 214 HB2 0.04 0.23 0.36 -0.04 2.88 3.46 3hvfB1 ASN 214 HB3 0.03 -0.09 0.19 -0.04 2.79 2.88 3hvfB1 ASN 214 HD21 0.01 -0.15 -0.10 -0.04 7.03 6.75 3hvfB1 ASN 214 HD22 0.02 -0.00 -0.09 -0.04 7.74 7.63 3hvfB1 THR 215 H -0.20 0.50 0.44 -0.55 8.28 8.48 3hvfB1 THR 215 HA -0.07 0.23 0.94 -0.75 4.39 4.74 3hvfB1 THR 215 HB -0.10 -0.07 0.18 -0.04 4.32 4.29 3hvfB1 THR 215 HG23 -0.38 0.01 0.06 -0.04 1.22 0.88 3hvfB1 THR 216 H -0.05 0.13 0.05 -0.55 8.28 7.86 3hvfB1 THR 216 HA -0.00 0.26 0.73 -0.75 4.39 4.63 3hvfB1 THR 216 HB 0.01 -0.02 0.14 -0.04 4.32 4.41 3hvfB1 THR 216 HG23 0.01 0.05 -0.07 -0.04 1.22 1.17 3hvfB1 GLY 217 H 0.00 0.27 -0.28 -0.55 8.43 7.88 3hvfB1 GLY 217 HA2 0.01 0.14 0.37 -0.51 4.01 4.02 3hvfB1 GLY 217 HA3 0.02 0.07 0.16 -0.51 4.01 3.75 3hvfB1 ALA 218 H 0.01 0.25 -0.16 -0.55 8.40 7.95 3hvfB1 ALA 218 HA 0.01 0.07 0.16 -0.75 4.34 3.82 3hvfB1 ALA 218 HB3 0.01 0.05 0.02 -0.04 1.41 1.44 3hvfB1 ALA 219 H 0.00 0.10 -0.43 -0.55 8.40 7.52 3hvfB1 ALA 219 HA -0.01 0.23 0.68 -0.75 4.34 4.49 3hvfB1 ALA 219 HB3 -0.00 -0.00 -0.02 -0.04 1.41 1.35 3hvfB1 SER 220 H 0.00 0.36 -0.33 -0.55 8.46 7.95 3hvfB1 SER 220 HA -0.01 0.28 0.70 -0.75 4.49 4.70 3hvfB1 SER 220 HB2 0.01 0.02 0.13 -0.04 3.95 4.07 3hvfB1 SER 220 HB3 0.01 0.00 0.07 -0.04 3.93 3.97 3hvfB1 ILE 221 H 0.00 0.14 -0.02 -0.55 8.25 7.82 3hvfB1 ILE 221 HA -0.02 0.15 0.13 -0.75 4.18 3.68 3hvfB1 ILE 221 HB 0.01 -0.05 -0.05 -0.04 1.89 1.76 3hvfB1 ILE 221 HG12 -0.02 0.06 -0.12 -0.04 1.49 1.36 3hvfB1 ILE 221 HG13 -0.01 -0.06 -0.08 -0.04 1.21 1.02 3hvfB1 ILE 221 HG23 0.02 0.02 -0.33 -0.04 0.93 0.59 3hvfB1 ILE 221 HD13 -0.02 -0.01 -0.28 -0.04 0.88 0.53 3hvfB1 ARG 222 H 0.01 0.09 -0.37 -0.55 8.46 7.64 3hvfB1 ARG 222 HA 0.02 0.00 0.16 -0.75 4.34 3.76 3hvfB1 ARG 222 HB2 0.02 0.00 -0.14 -0.04 1.90 1.74 3hvfB1 ARG 222 HB3 0.03 0.00 -0.10 -0.04 1.80 1.69 3hvfB1 ARG 222 HG2 0.08 0.07 -0.18 -0.04 1.67 1.60 3hvfB1 ARG 222 HG3 0.05 -0.12 -0.22 -0.04 1.67 1.35 3hvfB1 ARG 222 HD2 0.07 -0.05 -0.28 -0.04 3.22 2.92 3hvfB1 ARG 222 HD3 0.04 -0.05 -0.23 -0.04 3.22 2.94 3hvfB1 ALA 223 H -0.02 0.23 -0.63 -0.55 8.40 7.44 3hvfB1 ALA 223 HA -0.04 0.09 0.36 -0.75 4.34 4.00 3hvfB1 ALA 223 HB3 -0.03 0.05 -0.01 -0.04 1.41 1.38 3hvfB1 GLY 224 H -0.05 0.43 -0.48 -0.55 8.43 7.77 3hvfB1 GLY 224 HA2 -0.09 0.11 0.65 -0.51 4.01 4.17 3hvfB1 GLY 224 HA3 -0.08 0.07 0.27 -0.51 4.01 3.76 3hvfB1 LEU 225 H -0.11 0.41 -0.32 -0.55 8.37 7.80 3hvfB1 LEU 225 HA -0.43 0.17 0.80 -0.75 4.35 4.14 3hvfB1 LEU 225 HB2 -0.08 0.08 -0.08 -0.04 1.64 1.51 3hvfB1 LEU 225 HB3 -0.27 -0.01 -0.04 -0.04 1.64 1.27 3hvfB1 LEU 225 HG -0.02 0.11 -0.25 -0.04 1.64 1.44 3hvfB1 LEU 225 HD13 0.19 -0.04 -0.25 -0.04 0.93 0.79 3hvfB1 LEU 225 HD23 0.04 0.01 -0.25 -0.04 0.89 0.65 3hvfB1 PRO 226 HA -0.31 0.07 0.47 -0.51 4.44 4.15 3hvfB1 PRO 226 HB2 -1.12 -0.10 0.03 -0.04 2.28 1.05 3hvfB1 PRO 226 HB3 -0.34 0.03 0.10 -0.04 2.02 1.76 3hvfB1 PRO 226 HG2 -1.11 0.05 0.06 -0.04 2.03 1.00 3hvfB1 PRO 226 HG3 -0.53 0.10 0.05 -0.04 2.03 1.60 3hvfB1 PRO 226 HD2 -2.58 0.04 0.17 -0.04 3.68 1.27 3hvfB1 PRO 226 HD3 -0.91 0.24 0.16 -0.04 3.65 3.10 3hvfB1 THR 227 H -0.12 0.11 0.17 -0.55 8.28 7.89 3hvfB1 THR 227 HA -0.03 0.00 0.33 -0.75 4.39 3.94 3hvfB1 THR 227 HB 0.00 0.00 0.02 -0.04 4.32 4.31 3hvfB1 THR 227 HG23 -0.03 0.01 0.05 -0.04 1.22 1.21 3hvfB1 SER 228 H 0.03 0.02 -0.20 -0.55 8.46 7.76 3hvfB1 SER 228 HA 0.11 0.10 0.38 -0.75 4.49 4.32 3hvfB1 SER 228 HB2 0.17 0.02 0.06 -0.04 3.95 4.16 3hvfB1 SER 228 HB3 0.11 -0.02 0.07 -0.04 3.93 4.05 3hvfB1 TRP 229 H 0.31 0.21 -0.48 -0.55 7.97 7.47 3hvfB1 TRP 229 HA 0.07 0.11 0.51 -0.75 4.62 4.55 3hvfB1 TRP 229 HB2 0.04 0.15 -0.07 -0.04 3.23 3.31 3hvfB1 TRP 229 HB3 0.07 0.00 -0.12 -0.04 3.23 3.14 3hvfB1 TRP 229 HD1 0.03 -0.10 -0.16 -0.04 7.22 6.96 3hvfB1 TRP 229 HE1 0.02 0.07 0.04 -0.04 10.20 10.28 3hvfB1 TRP 229 HE3 0.01 -0.01 -0.12 -0.04 7.59 7.42 3hvfB1 TRP 229 HZ2 0.00 0.05 0.02 -0.04 7.44 7.48 3hvfB1 TRP 229 HZ3 -0.02 -0.02 -0.06 -0.04 7.13 6.99 3hvfB1 TRP 229 HH2 -0.01 0.07 0.04 -0.04 7.19 7.25 3hvfB1 THR 230 H 0.28 0.45 0.29 -0.55 8.28 8.75 3hvfB1 THR 230 HA 0.18 0.00 0.92 -0.75 4.39 4.74 3hvfB1 THR 230 HB 0.15 0.00 0.16 -0.04 4.32 4.59 3hvfB1 THR 230 HG23 0.06 -0.02 -0.07 -0.04 1.22 1.15 3hvfB1 ALA 231 H 0.20 0.38 0.23 -0.55 8.40 8.66 3hvfB1 ALA 231 HA 0.44 0.16 0.73 -0.75 4.34 4.92 3hvfB1 ALA 231 HB3 0.16 0.00 -0.15 -0.04 1.41 1.39 3hvfB1 GLY 232 H 0.23 0.58 0.37 -0.55 8.43 9.06 3hvfB1 GLY 232 HA2 0.14 0.33 0.63 -0.51 4.01 4.61 3hvfB1 GLY 232 HA3 0.21 -0.03 0.15 -0.51 4.01 3.83 3hvfB1 ASP 233 H 0.08 0.53 0.26 -0.55 8.40 8.73 3hvfB1 ASP 233 HA 0.06 0.21 0.91 -0.75 4.63 5.06 3hvfB1 ASP 233 HB2 0.04 0.03 0.06 -0.04 2.71 2.80 3hvfB1 ASP 233 HB3 0.05 -0.03 -0.31 -0.04 2.70 2.37 3hvfB1 LYS 234 H 0.05 0.54 0.36 -0.55 8.42 8.82 3hvfB1 LYS 234 HA 0.05 0.17 0.83 -0.75 4.32 4.62 3hvfB1 LYS 234 HB2 0.07 0.04 0.02 -0.04 1.87 1.96 3hvfB1 LYS 234 HB3 0.08 -0.08 0.19 -0.04 1.79 1.94 3hvfB1 LYS 234 HG2 0.07 -0.13 0.05 -0.04 1.46 1.41 3hvfB1 LYS 234 HG3 0.07 0.18 -0.26 -0.04 1.46 1.41 3hvfB1 LYS 234 HD2 0.04 0.06 0.25 -0.04 1.69 2.00 3hvfB1 LYS 234 HD3 0.04 -0.11 0.12 -0.04 1.68 1.70 3hvfB1 LYS 234 HE2 0.04 0.20 0.24 -0.04 2.99 3.42 3hvfB1 LYS 234 HE3 0.05 0.07 0.11 -0.04 2.99 3.18 3hvfB1 THR 235 H 0.04 0.14 0.09 -0.55 8.28 8.00 3hvfB1 THR 235 HA 0.06 0.17 0.83 -0.75 4.39 4.69 3hvfB1 THR 235 HB 0.03 0.05 0.16 -0.04 4.32 4.52 3hvfB1 THR 235 HG23 0.02 0.02 -0.04 -0.04 1.22 1.18 3hvfB1 GLY 236 H 0.05 0.61 0.35 -0.55 8.43 8.90 3hvfB1 GLY 236 HA2 0.02 0.03 0.64 -0.51 4.01 4.19 3hvfB1 GLY 236 HA3 0.04 0.02 0.36 -0.51 4.01 3.92 3hvfB1 SER 237 H -0.00 0.17 0.30 -0.55 8.46 8.38 3hvfB1 SER 237 HA 0.02 0.36 0.52 -0.75 4.49 4.64 3hvfB1 SER 237 HB2 0.00 0.13 0.25 -0.04 3.95 4.29 3hvfB1 SER 237 HB3 -0.00 -0.03 -0.06 -0.04 3.93 3.79 3hvfB1 GLY 238 H 0.01 0.56 0.28 -0.55 8.43 8.74 3hvfB1 GLY 238 HA2 -0.00 0.01 0.52 -0.51 4.01 4.03 3hvfB1 GLY 238 HA3 0.01 0.07 0.48 -0.51 4.01 4.05 3hvfB1 ASP 240 H 0.03 0.43 0.22 -0.55 8.40 8.54 3hvfB1 ASP 240 HA -0.03 0.06 0.56 -0.75 4.63 4.47 3hvfB1 ASP 240 HB2 0.11 0.25 0.17 -0.04 2.71 3.20 3hvfB1 ASP 240 HB3 -0.06 -0.03 0.26 -0.04 2.70 2.83 3hvfB1 TYR 241 H -0.28 0.54 0.40 -0.55 8.29 8.40 3hvfB1 TYR 241 HA -0.03 0.19 0.27 -0.75 4.56 4.23 3hvfB1 TYR 241 HB2 -0.05 0.17 0.00 -0.04 3.06 3.14 3hvfB1 TYR 241 HB3 -0.07 0.08 0.26 -0.04 2.98 3.21 3hvfB1 TYR 241 HD2 -0.04 0.12 -0.29 -0.04 7.15 6.90 3hvfB1 TYR 241 HE2 -0.03 0.02 0.02 -0.04 6.85 6.82 3hvfB1 GLY 242 H -0.02 0.14 -0.24 -0.55 8.43 7.78 3hvfB1 GLY 242 HA2 0.02 0.07 -0.00 -0.51 4.01 3.59 3hvfB1 GLY 242 HA3 0.03 -0.03 0.11 -0.51 4.01 3.61 3hvfB1 THR 243 H 0.04 0.42 -0.52 -0.55 8.28 7.67 3hvfB1 THR 243 HA 0.02 0.26 0.58 -0.75 4.39 4.50 3hvfB1 THR 243 HB 0.03 -0.21 0.01 -0.04 4.32 4.10 3hvfB1 THR 243 HG23 0.00 -0.02 -0.17 -0.04 1.22 0.99 3hvfB1 THR 244 H 0.16 0.72 0.35 -0.55 8.28 8.97 3hvfB1 THR 244 HA 0.08 0.17 0.99 -0.75 4.39 4.88 3hvfB1 THR 244 HB 0.26 0.04 0.12 -0.04 4.32 4.70 3hvfB1 THR 244 HG23 0.07 -0.04 -0.15 -0.04 1.22 1.06 3hvfB1 ASN 245 H 0.08 0.67 0.35 -0.55 8.53 9.09 3hvfB1 ASN 245 HA 0.20 0.32 1.18 -0.75 4.76 5.71 3hvfB1 ASN 245 HB2 0.12 -0.12 -0.03 -0.04 2.88 2.80 3hvfB1 ASN 245 HB3 0.41 0.00 0.04 -0.04 2.79 3.20 3hvfB1 ASN 245 HD21 -0.22 0.40 -0.15 -0.04 7.03 7.02 3hvfB1 ASN 245 HD22 -0.09 0.11 -0.22 -0.04 7.74 7.49 3hvfB1 ASP 246 H 0.13 0.65 0.38 -0.55 8.40 9.02 3hvfB1 ASP 246 HA 0.07 0.20 0.69 -0.75 4.63 4.84 3hvfB1 ASP 246 HB2 0.04 0.05 -0.19 -0.04 2.71 2.57 3hvfB1 ASP 246 HB3 0.01 -0.03 0.03 -0.04 2.70 2.68 3hvfB1 ILE 247 H 0.05 0.49 0.34 -0.55 8.25 8.57 3hvfB1 ILE 247 HA -0.06 0.26 0.98 -0.75 4.18 4.61 3hvfB1 ILE 247 HB -0.02 0.02 0.10 -0.04 1.89 1.95 3hvfB1 ILE 247 HG12 0.08 0.10 0.18 -0.04 1.49 1.81 3hvfB1 ILE 247 HG13 0.05 -0.03 -0.00 -0.04 1.21 1.18 3hvfB1 ILE 247 HG23 -0.03 -0.03 -0.11 -0.04 0.93 0.72 3hvfB1 ILE 247 HD13 0.09 -0.01 -0.02 -0.04 0.88 0.90 3hvfB1 ALA 248 H -0.04 0.67 0.38 -0.55 8.40 8.86 3hvfB1 ALA 248 HA 0.01 0.25 1.09 -0.75 4.34 4.94 3hvfB1 ALA 248 HB3 0.01 -0.01 -0.15 -0.04 1.41 1.23 3hvfB1 VAL 249 H -0.02 0.60 0.37 -0.55 8.24 8.64 3hvfB1 VAL 249 HA -0.26 0.00 1.08 -0.75 4.13 4.20 3hvfB1 VAL 249 HB -0.15 0.00 0.03 -0.04 2.12 1.96 3hvfB1 VAL 249 HG13 0.06 -0.01 0.10 -0.04 0.97 1.07 3hvfB1 VAL 249 HG23 -0.82 0.00 -0.04 -0.04 0.95 0.04 3hvfB1 ILE 250 H -0.43 0.78 0.37 -0.55 8.25 8.42 3hvfB1 ILE 250 HA -0.02 0.25 1.15 -0.75 4.18 4.81 3hvfB1 ILE 250 HB -0.10 -0.07 0.03 -0.04 1.89 1.70 3hvfB1 ILE 250 HG12 0.09 0.05 -0.25 -0.04 1.49 1.34 3hvfB1 ILE 250 HG13 -0.04 -0.17 -0.68 -0.04 1.21 0.28 3hvfB1 ILE 250 HG23 0.22 0.03 -0.25 -0.04 0.93 0.88 3hvfB1 ILE 250 HD13 0.06 -0.00 -0.23 -0.04 0.88 0.67 3hvfB1 TRP 251 H 0.33 0.85 0.27 -0.55 7.97 8.88 3hvfB1 TRP 251 HA -0.15 0.19 0.92 -0.75 4.62 4.83 3hvfB1 TRP 251 HB2 -0.04 -0.09 0.19 -0.04 3.23 3.25 3hvfB1 TRP 251 HB3 -0.09 0.08 0.07 -0.04 3.23 3.25 3hvfB1 TRP 251 HD1 -0.07 0.07 0.02 -0.04 7.22 7.20 3hvfB1 TRP 251 HE1 -0.04 0.02 -0.02 -0.04 10.20 10.12 3hvfB1 TRP 251 HE3 0.00 0.06 -0.31 -0.04 7.59 7.31 3hvfB1 TRP 251 HZ2 -0.03 0.07 -0.06 -0.04 7.44 7.39 3hvfB1 TRP 251 HZ3 0.01 -0.04 -0.15 -0.04 7.13 6.91 3hvfB1 TRP 251 HH2 -0.01 -0.01 -0.06 -0.04 7.19 7.08 3hvfB1 PRO 252 HA -1.78 -0.01 0.50 -0.51 4.44 2.64 3hvfB1 PRO 252 HB2 -0.86 0.10 -0.17 -0.04 2.28 1.31 3hvfB1 PRO 252 HB3 -2.90 0.00 0.04 -0.04 2.02 -0.88 3hvfB1 PRO 252 HG2 -0.55 0.09 -0.05 -0.04 2.03 1.48 3hvfB1 PRO 252 HG3 -0.84 -0.04 -0.08 -0.04 2.03 1.03 3hvfB1 PRO 252 HD2 -0.32 0.31 -0.09 -0.04 3.68 3.54 3hvfB1 PRO 252 HD3 -0.35 0.17 -0.03 -0.04 3.65 3.40 3hvfB1 GLN 254 H -0.88 0.05 0.08 -0.55 8.47 7.17 3hvfB1 GLN 254 HA -0.07 0.06 0.39 -0.75 4.36 3.99 3hvfB1 GLN 254 HB2 0.24 -0.06 0.07 -0.04 2.15 2.35 3hvfB1 GLN 254 HB3 0.10 0.02 0.05 -0.04 2.02 2.15 3hvfB1 GLN 254 HG2 0.04 0.00 0.02 -0.04 2.40 2.42 3hvfB1 GLN 254 HG3 0.11 0.05 -0.01 -0.04 2.39 2.50 3hvfB1 GLN 254 HE21 0.09 -0.00 -0.01 -0.04 6.97 7.00 3hvfB1 GLN 254 HE22 0.12 -0.01 -0.00 -0.04 7.69 7.75 3hvfB1 GLY 255 H -0.04 0.12 0.18 -0.55 8.43 8.15 3hvfB1 GLY 255 HA2 -0.02 -0.02 0.31 -0.51 4.01 3.77 3hvfB1 GLY 255 HA3 -0.02 0.02 0.30 -0.51 4.01 3.80 3hvfB1 ARG 256 H -0.11 0.42 -0.25 -0.55 8.46 7.96 3hvfB1 ARG 256 HA -0.06 0.10 0.66 -0.75 4.34 4.28 3hvfB1 ARG 256 HB2 -0.10 -0.12 0.11 -0.04 1.90 1.74 3hvfB1 ARG 256 HB3 -0.09 0.09 -0.19 -0.04 1.80 1.57 3hvfB1 ARG 256 HG2 -0.28 0.03 -0.41 -0.04 1.67 0.98 3hvfB1 ARG 256 HG3 -0.26 0.13 -0.24 -0.04 1.67 1.25 3hvfB1 ARG 256 HD2 -0.11 0.03 -0.11 -0.04 3.22 3.00 3hvfB1 ARG 256 HD3 -0.29 -0.07 -0.10 -0.04 3.22 2.73 3hvfB1 ALA 257 H -0.07 0.06 0.12 -0.55 8.40 7.97 3hvfB1 ALA 257 HA -0.02 0.10 0.42 -0.75 4.34 4.08 3hvfB1 ALA 257 HB3 -0.05 -0.02 0.01 -0.04 1.41 1.31 3hvfB1 PRO 258 HA -0.40 0.22 0.71 -0.51 4.44 4.46 3hvfB1 PRO 258 HB2 -0.67 -0.01 0.01 -0.04 2.28 1.57 3hvfB1 PRO 258 HB3 -1.46 0.01 0.09 -0.04 2.02 0.62 3hvfB1 PRO 258 HG2 -0.18 -0.02 0.06 -0.04 2.03 1.85 3hvfB1 PRO 258 HG3 -0.05 0.05 0.07 -0.04 2.03 2.06 3hvfB1 PRO 258 HD2 -0.05 0.06 0.20 -0.04 3.68 3.84 3hvfB1 PRO 258 HD3 0.06 0.16 0.21 -0.04 3.65 4.04 3hvfB1 LEU 259 H -0.38 0.65 0.48 -0.55 8.37 8.56 3hvfB1 LEU 259 HA -0.16 0.18 1.11 -0.75 4.35 4.72 3hvfB1 LEU 259 HB2 -0.12 -0.10 -0.02 -0.04 1.64 1.36 3hvfB1 LEU 259 HB3 -0.09 0.03 0.06 -0.04 1.64 1.60 3hvfB1 LEU 259 HG -0.23 0.07 -0.01 -0.04 1.64 1.42 3hvfB1 LEU 259 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.80 3hvfB1 LEU 259 HD23 -0.12 0.01 -0.08 -0.04 0.89 0.66 3hvfB1 VAL 260 H -0.11 0.61 0.41 -0.55 8.24 8.60 3hvfB1 VAL 260 HA -0.14 0.24 1.06 -0.75 4.13 4.53 3hvfB1 VAL 260 HB -0.09 -0.05 0.19 -0.04 2.12 2.13 3hvfB1 VAL 260 HG13 -0.07 0.03 -0.03 -0.04 0.97 0.85 3hvfB1 VAL 260 HG23 -0.14 -0.01 -0.12 -0.04 0.95 0.64 3hvfB1 LEU 261 H -0.08 0.71 0.33 -0.55 8.37 8.78 3hvfB1 LEU 261 HA -0.06 0.33 1.15 -0.75 4.35 5.01 3hvfB1 LEU 261 HB2 -0.03 0.01 -0.17 -0.04 1.64 1.41 3hvfB1 LEU 261 HB3 -0.03 -0.05 -0.01 -0.04 1.64 1.51 3hvfB1 LEU 261 HG -0.05 -0.03 -0.38 -0.04 1.64 1.14 3hvfB1 LEU 261 HD13 -0.04 0.03 -0.10 -0.04 0.93 0.78 3hvfB1 LEU 261 HD23 -0.00 -0.01 -0.15 -0.04 0.89 0.69 3hvfB1 VAL 262 H -0.11 0.66 0.38 -0.55 8.24 8.63 3hvfB1 VAL 262 HA -0.19 0.19 1.13 -0.75 4.13 4.51 3hvfB1 VAL 262 HB -0.22 -0.02 0.21 -0.04 2.12 2.05 3hvfB1 VAL 262 HG13 -0.80 -0.00 -0.17 -0.04 0.97 -0.04 3hvfB1 VAL 262 HG23 -0.14 -0.03 -0.16 -0.04 0.95 0.57 3hvfB1 THR 263 H -0.18 0.73 0.33 -0.55 8.28 8.61 3hvfB1 THR 263 HA -0.14 0.31 1.05 -0.75 4.39 4.86 3hvfB1 THR 263 HB -0.04 0.04 0.04 -0.04 4.32 4.32 3hvfB1 THR 263 HG23 -0.06 -0.01 -0.20 -0.04 1.22 0.92 3hvfB1 TYR 264 H -0.16 0.76 0.37 -0.55 8.29 8.71 3hvfB1 TYR 264 HA -0.06 0.10 0.99 -0.75 4.56 4.84 3hvfB1 TYR 264 HB2 -0.88 -0.02 0.09 -0.04 3.06 2.21 3hvfB1 TYR 264 HB3 -0.50 0.07 -0.06 -0.04 2.98 2.44 3hvfB1 TYR 264 HD2 -0.13 0.06 -0.09 -0.04 7.15 6.95 3hvfB1 TYR 264 HE2 0.03 -0.05 -0.25 -0.04 6.85 6.54 3hvfB1 PHE 265 H 0.21 0.27 0.19 -0.55 8.34 8.46 3hvfB1 PHE 265 HA 0.16 0.32 0.96 -0.75 4.62 5.30 3hvfB1 PHE 265 HB2 0.04 -0.05 -0.20 -0.04 3.15 2.90 3hvfB1 PHE 265 HB3 0.06 0.09 0.15 -0.04 3.06 3.32 3hvfB1 PHE 265 HD2 0.07 -0.02 -0.12 -0.04 7.28 7.17 3hvfB1 PHE 265 HE2 0.05 -0.02 -0.16 -0.04 7.38 7.21 3hvfB1 PHE 265 HZ 0.04 0.09 -0.12 -0.04 7.32 7.30 3hvfB1 THR 266 H -0.35 0.54 0.36 -0.55 8.28 8.28 3hvfB1 THR 266 HA -0.19 0.19 0.63 -0.75 4.39 4.26 3hvfB1 THR 266 HB 0.04 -0.05 -0.17 -0.04 4.32 4.10 3hvfB1 THR 266 HG23 -0.05 0.00 -0.06 -0.04 1.22 1.07 3hvfB1 GLN 267 H -0.08 0.70 0.26 -0.55 8.47 8.81 3hvfB1 GLN 267 HA -0.17 0.13 0.99 -0.75 4.36 4.55 3hvfB1 GLN 267 HB2 -0.02 0.02 -0.08 -0.04 2.15 2.04 3hvfB1 GLN 267 HB3 -0.02 -0.03 0.09 -0.04 2.02 2.02 3hvfB1 GLN 267 HG2 -0.34 -0.01 -0.21 -0.04 2.40 1.80 3hvfB1 GLN 267 HG3 -0.37 -0.01 -0.36 -0.04 2.39 1.61 3hvfB1 GLN 267 HE21 0.16 0.39 0.03 -0.04 6.97 7.51 3hvfB1 GLN 267 HE22 0.11 0.35 0.05 -0.04 7.69 8.16 3hvfB1 PRO 268 HA 0.06 0.13 0.54 -0.51 4.44 4.66 3hvfB1 PRO 268 HB2 0.03 -0.04 0.03 -0.04 2.28 2.26 3hvfB1 PRO 268 HB3 0.02 0.03 0.12 -0.04 2.02 2.15 3hvfB1 PRO 268 HG2 0.02 0.09 0.16 -0.04 2.03 2.26 3hvfB1 PRO 268 HG3 0.01 0.07 0.15 -0.04 2.03 2.21 3hvfB1 PRO 268 HD2 0.02 0.03 0.20 -0.04 3.68 3.89 3hvfB1 PRO 268 HD3 -0.02 0.18 0.27 -0.04 3.65 4.04 3hvfB1 GLN 269 H 0.04 0.13 -0.09 -0.55 8.47 8.00 3hvfB1 GLN 269 HA 0.00 0.00 0.78 -0.75 4.36 4.39 3hvfB1 GLN 269 HB2 -0.03 0.00 0.05 -0.04 2.15 2.14 3hvfB1 GLN 269 HB3 -0.05 0.00 -0.01 -0.04 2.02 1.91 3hvfB1 GLN 269 HG2 0.01 0.00 -0.01 -0.04 2.40 2.37 3hvfB1 GLN 269 HG3 -0.00 0.03 -0.00 -0.04 2.39 2.38 3hvfB1 GLN 269 HE21 0.01 0.02 -0.03 -0.04 6.97 6.94 3hvfB1 GLN 269 HE22 0.02 0.02 -0.06 -0.04 7.69 7.63 3hvfB1 GLN 270 H -0.28 0.24 0.21 -0.55 8.47 8.09 3hvfB1 GLN 270 HA -1.75 0.12 0.43 -0.75 4.36 2.42 3hvfB1 GLN 270 HB2 -0.53 0.08 0.19 -0.04 2.15 1.85 3hvfB1 GLN 270 HB3 -0.29 -0.01 0.11 -0.04 2.02 1.79 3hvfB1 GLN 270 HG2 -0.29 -0.02 -0.04 -0.04 2.40 2.02 3hvfB1 GLN 270 HG3 -0.63 0.05 0.15 -0.04 2.39 1.91 3hvfB1 GLN 270 HE21 0.01 0.00 0.03 -0.04 6.97 6.97 3hvfB1 GLN 270 HE22 0.00 0.03 0.06 -0.04 7.69 7.74 3hvfB1 ASN 271 H -0.17 0.04 -0.27 -0.55 8.53 7.59 3hvfB1 ASN 271 HA -0.12 0.22 0.88 -0.75 4.76 4.99 3hvfB1 ASN 271 HB2 -0.06 0.04 0.17 -0.04 2.88 2.99 3hvfB1 ASN 271 HB3 -0.09 -0.01 0.04 -0.04 2.79 2.69 3hvfB1 ASN 271 HD21 -0.03 0.01 -0.02 -0.04 7.03 6.95 3hvfB1 ASN 271 HD22 -0.04 0.02 0.01 -0.04 7.74 7.70 3hvfB1 ALA 272 H -0.10 0.39 -0.41 -0.55 8.40 7.73 3hvfB1 ALA 272 HA -0.01 -0.00 0.37 -0.75 4.34 3.94 3hvfB1 ALA 272 HB3 0.00 -0.00 -0.09 -0.04 1.41 1.28 3hvfB1 GLU 273 H 0.02 0.08 0.16 -0.55 8.60 8.31 3hvfB1 GLU 273 HA 0.01 0.09 0.54 -0.75 4.29 4.18 3hvfB1 GLU 273 HB2 0.02 -0.02 0.13 -0.04 2.09 2.17 3hvfB1 GLU 273 HB3 0.01 0.00 0.14 -0.04 1.99 2.11 3hvfB1 GLU 273 HG2 0.04 -0.06 0.05 -0.04 2.34 2.33 3hvfB1 GLU 273 HG3 0.05 0.16 -0.41 -0.04 2.34 2.09 3hvfB1 SER 274 H 0.02 0.06 0.17 -0.55 8.46 8.17 3hvfB1 SER 274 HA 0.08 0.00 0.37 -0.75 4.49 4.18 3hvfB1 SER 274 HB2 0.02 0.00 0.12 -0.04 3.95 4.05 3hvfB1 SER 274 HB3 0.04 0.00 0.05 -0.04 3.93 3.97 3hvfB1 ARG 275 H 0.13 0.25 0.05 -0.55 8.46 8.33 3hvfB1 ARG 275 HA 0.02 0.19 0.85 -0.75 4.34 4.65 3hvfB1 ARG 275 HB2 0.20 0.09 0.13 -0.04 1.90 2.28 3hvfB1 ARG 275 HB3 -0.09 -0.13 0.16 -0.04 1.80 1.70 3hvfB1 ARG 275 HG2 0.16 0.18 -0.41 -0.04 1.67 1.56 3hvfB1 ARG 275 HG3 0.24 0.07 -0.04 -0.04 1.67 1.90 3hvfB1 ARG 275 HD2 0.04 0.10 0.06 -0.04 3.22 3.37 3hvfB1 ARG 275 HD3 0.06 0.03 -0.04 -0.04 3.22 3.22 3hvfB1 ARG 276 H 0.01 0.22 -0.07 -0.55 8.46 8.08 3hvfB1 ARG 276 HA -0.00 0.05 0.36 -0.75 4.34 4.00 3hvfB1 ARG 276 HB2 -0.00 0.03 0.04 -0.04 1.90 1.92 3hvfB1 ARG 276 HB3 -0.01 0.16 -0.18 -0.04 1.80 1.73 3hvfB1 ARG 276 HG2 0.02 0.01 -0.01 -0.04 1.67 1.64 3hvfB1 ARG 276 HG3 0.02 -0.07 0.01 -0.04 1.67 1.59 3hvfB1 ARG 276 HD2 0.00 -0.05 -0.10 -0.04 3.22 3.03 3hvfB1 ARG 276 HD3 0.01 0.04 -0.01 -0.04 3.22 3.22 3hvfB1 ASP 277 H -0.04 0.08 -0.31 -0.55 8.40 7.58 3hvfB1 ASP 277 HA -0.05 0.15 0.35 -0.75 4.63 4.33 3hvfB1 ASP 277 HB2 -0.05 0.05 0.01 -0.04 2.71 2.68 3hvfB1 ASP 277 HB3 -0.04 0.02 0.06 -0.04 2.70 2.70 3hvfB1 VAL 278 H -0.16 0.38 -0.33 -0.55 8.24 7.58 3hvfB1 VAL 278 HA -0.20 0.07 0.41 -0.75 4.13 3.66 3hvfB1 VAL 278 HB -0.58 0.18 0.09 -0.04 2.12 1.77 3hvfB1 VAL 278 HG13 -0.68 -0.01 -0.17 -0.04 0.97 0.07 3hvfB1 VAL 278 HG23 -0.42 -0.00 0.00 -0.04 0.95 0.49 3hvfB1 LEU 279 H -0.12 0.28 -0.23 -0.55 8.37 7.75 3hvfB1 LEU 279 HA -0.08 0.04 0.34 -0.75 4.35 3.90 3hvfB1 LEU 279 HB2 -0.03 0.11 0.02 -0.04 1.64 1.70 3hvfB1 LEU 279 HB3 -0.02 -0.09 -0.09 -0.04 1.64 1.40 3hvfB1 LEU 279 HG -0.02 0.04 -0.03 -0.04 1.64 1.59 3hvfB1 LEU 279 HD13 0.05 -0.02 -0.34 -0.04 0.93 0.58 3hvfB1 LEU 279 HD23 0.03 0.05 -0.21 -0.04 0.89 0.72 3hvfB1 ALA 280 H -0.06 0.52 -0.18 -0.55 8.40 8.13 3hvfB1 ALA 280 HA -0.05 0.05 0.24 -0.75 4.34 3.82 3hvfB1 ALA 280 HB3 -0.05 0.07 -0.09 -0.04 1.41 1.31 3hvfB1 SER 281 H -0.09 0.55 -0.28 -0.55 8.46 8.10 3hvfB1 SER 281 HA -0.07 0.04 0.34 -0.75 4.49 4.04 3hvfB1 SER 281 HB2 -0.11 0.07 0.12 -0.04 3.95 3.99 3hvfB1 SER 281 HB3 -0.08 -0.06 -0.02 -0.04 3.93 3.72 3hvfB1 ALA 282 H -0.10 0.58 -0.23 -0.55 8.40 8.10 3hvfB1 ALA 282 HA -0.09 -0.01 0.43 -0.75 4.34 3.91 3hvfB1 ALA 282 HB3 -0.08 0.01 0.05 -0.04 1.41 1.35 3hvfB1 ALA 283 H -0.06 0.63 -0.18 -0.55 8.40 8.25 3hvfB1 ALA 283 HA -0.03 -0.06 0.34 -0.75 4.34 3.84 3hvfB1 ALA 283 HB3 -0.03 0.01 0.02 -0.04 1.41 1.37 3hvfB1 ARG 284 H -0.07 0.51 -0.25 -0.55 8.46 8.10 3hvfB1 ARG 284 HA -0.10 0.29 0.46 -0.75 4.34 4.23 3hvfB1 ARG 284 HB2 -0.08 0.07 0.13 -0.04 1.90 1.98 3hvfB1 ARG 284 HB3 -0.07 0.05 0.12 -0.04 1.80 1.86 3hvfB1 ARG 284 HG2 -0.07 -0.07 -0.12 -0.04 1.67 1.38 3hvfB1 ARG 284 HG3 -0.10 0.05 0.04 -0.04 1.67 1.62 3hvfB1 ARG 284 HD2 -0.06 -0.04 -0.04 -0.04 3.22 3.04 3hvfB1 ARG 284 HD3 -0.07 -0.04 -0.04 -0.04 3.22 3.03 3hvfB1 ILE 285 H -0.06 0.52 -0.19 -0.55 8.25 7.97 3hvfB1 ILE 285 HA -0.04 0.02 0.38 -0.75 4.18 3.79 3hvfB1 ILE 285 HB -0.06 0.15 0.14 -0.04 1.89 2.08 3hvfB1 ILE 285 HG12 -0.05 -0.06 -0.02 -0.04 1.49 1.32 3hvfB1 ILE 285 HG13 -0.06 0.11 0.03 -0.04 1.21 1.24 3hvfB1 ILE 285 HG23 -0.04 -0.04 -0.15 -0.04 0.93 0.66 3hvfB1 ILE 285 HD13 -0.08 -0.04 -0.21 -0.04 0.88 0.50 3hvfB1 ILE 286 H -0.03 0.49 -0.24 -0.55 8.25 7.93 3hvfB1 ILE 286 HA 0.01 -0.04 0.30 -0.75 4.18 3.69 3hvfB1 ILE 286 HB 0.01 0.17 0.12 -0.04 1.89 2.15 3hvfB1 ILE 286 HG12 -0.02 0.21 -0.00 -0.04 1.49 1.64 3hvfB1 ILE 286 HG13 -0.01 -0.07 -0.10 -0.04 1.21 0.99 3hvfB1 ILE 286 HG23 0.04 -0.02 -0.21 -0.04 0.93 0.70 3hvfB1 ILE 286 HD13 -0.00 -0.04 -0.11 -0.04 0.88 0.69 3hvfB1 ALA 287 H -0.01 0.74 -0.08 -0.55 8.40 8.50 3hvfB1 ALA 287 HA 0.20 -0.04 0.36 -0.75 4.34 4.11 3hvfB1 ALA 287 HB3 -0.20 0.02 0.10 -0.04 1.41 1.28 3hvfB1 GLU 288 H -0.02 0.61 -0.21 -0.55 8.60 8.44 3hvfB1 GLU 288 HA 0.00 0.03 0.46 -0.75 4.29 4.02 3hvfB1 GLU 288 HB2 -0.03 0.09 0.11 -0.04 2.09 2.23 3hvfB1 GLU 288 HB3 -0.02 -0.07 0.05 -0.04 1.99 1.92 3hvfB1 GLU 288 HG2 -0.04 -0.06 0.02 -0.04 2.34 2.21 3hvfB1 GLU 288 HG3 -0.07 0.08 0.04 -0.04 2.34 2.34 3hvfB1 GLY 289 H 0.02 0.36 -0.44 -0.55 8.43 7.82 3hvfB1 GLY 289 HA2 0.02 0.09 0.67 -0.51 4.01 4.28 3hvfB1 GLY 289 HA3 0.02 -0.06 0.30 -0.51 4.01 3.75 3hvfB1 LEU 290 H 0.08 0.32 -0.41 -0.55 8.37 7.81 3hvfB1 LEU 290 HA 0.04 -0.00 0.19 -0.75 4.35 3.82 3hvfB1 LEU 290 HB2 0.18 0.15 0.12 -0.04 1.64 2.05 3hvfB1 LEU 290 HB3 0.15 0.02 0.05 -0.04 1.64 1.82 3hvfB1 LEU 290 HG 0.02 -0.03 0.00 -0.04 1.64 1.60 3hvfB1 LEU 290 HD13 0.03 -0.02 -0.08 -0.04 0.93 0.83 3hvfB1 LEU 290 HD23 0.07 -0.01 -0.03 -0.04 0.89 0.88