============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 29 0.840 48.371 12.414 17.991 -99.200 -91.000 PHE 57 1.000 58.988 -5.067 14.112 -99.200 -91.000 HIS 93 0.900 50.295 -1.650 17.342 -99.200 -91.000 TYR 103 0.840 42.512 -13.124 18.032 -99.200 -91.000 PHE 104 1.000 49.857 -12.666 12.763 -99.200 -91.000 HIS 106 0.900 45.443 -14.449 22.993 -99.200 -91.000 PHE 117 1.000 51.033 -6.200 21.010 -99.200 -91.000 TYR 165 0.840 37.379 -12.914 25.802 -99.200 -91.000 PHE 177 1.000 42.699 0.182 23.289 -99.200 -91.000 TYR 184 0.840 39.045 -3.500 31.488 -99.200 -91.000 TYR 194 0.840 44.604 -5.064 43.781 -99.200 -91.000 TYR 195 0.840 47.257 -10.813 36.320 -99.200 -91.000 HIS 203 0.900 46.482 -18.319 26.063 -99.200 -91.000 PHE 209 1.000 45.576 -20.798 14.299 -99.200 -91.000 TYR 224 0.840 29.620 -1.253 8.702 -99.200 -91.000 TYR 226 0.840 26.145 -0.270 3.516 -99.200 -91.000 TYR 232 0.840 29.461 -1.301 -5.852 -99.200 -91.000 TYR 234 0.840 29.308 -9.242 -0.463 -99.200 -91.000 HIS 240 0.900 40.646 -5.866 -7.402 -99.200 -91.000 TYR 247 0.840 27.573 -9.320 6.255 -99.200 -91.000 HIS 302 0.900 39.795 -8.776 18.471 -99.200 -91.000 TYR 323 0.840 41.758 -23.828 13.052 -99.200 -91.000 PHE 324 1.000 36.810 -17.422 12.806 -99.200 -91.000 HIS 325 0.900 31.796 -22.045 17.261 -99.200 -91.000 TYR 327 0.840 43.080 -21.709 18.389 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1hg0B1 ALA 1 HA -0.00 -0.07 0.15 -0.75 4.34 3.67 1hg0B1 ALA 1 HB3 -0.00 -0.02 -0.04 -0.04 1.41 1.31 1hg0B1 ASP 2 H -0.00 0.07 0.04 -0.55 8.40 7.95 1hg0B1 ASP 2 HA -0.00 0.10 0.47 -0.75 4.63 4.45 1hg0B1 ASP 2 HB2 -0.00 -0.04 0.14 -0.04 2.71 2.76 1hg0B1 ASP 2 HB3 -0.00 -0.03 0.24 -0.04 2.70 2.87 1hg0B1 LYS 3 H -0.00 0.37 0.14 -0.55 8.42 8.37 1hg0B1 LYS 3 HA -0.00 0.07 0.54 -0.75 4.32 4.18 1hg0B1 LYS 3 HB2 -0.00 -0.08 0.12 -0.04 1.87 1.87 1hg0B1 LYS 3 HB3 -0.00 0.07 -0.19 -0.04 1.79 1.63 1hg0B1 LYS 3 HG2 -0.00 0.03 -0.55 -0.04 1.46 0.90 1hg0B1 LYS 3 HG3 -0.00 0.10 -0.01 -0.04 1.46 1.51 1hg0B1 LYS 3 HD2 -0.00 -0.04 -0.12 -0.04 1.69 1.49 1hg0B1 LYS 3 HD3 -0.00 0.04 -0.08 -0.04 1.68 1.60 1hg0B1 LYS 3 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.96 1hg0B1 LYS 3 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.95 1hg0B1 LEU 4 H -0.00 0.05 0.04 -0.55 8.37 7.92 1hg0B1 LEU 4 HA -0.00 0.14 0.35 -0.75 4.35 4.08 1hg0B1 LEU 4 HB2 -0.00 -0.06 0.05 -0.04 1.64 1.58 1hg0B1 LEU 4 HB3 -0.00 -0.01 -0.13 -0.04 1.64 1.45 1hg0B1 LEU 4 HG -0.00 0.04 -0.53 -0.04 1.64 1.10 1hg0B1 LEU 4 HD13 -0.00 0.02 -0.10 -0.04 0.93 0.81 1hg0B1 LEU 4 HD23 -0.00 -0.00 -0.20 -0.04 0.89 0.64 1hg0B1 PRO 5 HA -0.00 0.10 0.60 -0.51 4.44 4.64 1hg0B1 PRO 5 HB2 -0.00 0.01 0.01 -0.04 2.28 2.26 1hg0B1 PRO 5 HB3 0.00 0.09 0.15 -0.04 2.02 2.22 1hg0B1 PRO 5 HG2 -0.00 -0.10 0.07 -0.04 2.03 1.95 1hg0B1 PRO 5 HG3 -0.00 0.13 0.14 -0.04 2.03 2.25 1hg0B1 PRO 5 HD2 -0.00 0.18 0.31 -0.04 3.68 4.12 1hg0B1 PRO 5 HD3 -0.00 0.17 0.19 -0.04 3.65 3.96 1hg0B1 ASN 6 H -0.00 0.15 0.16 -0.55 8.53 8.30 1hg0B1 ASN 6 HA -0.00 0.24 0.98 -0.75 4.76 5.22 1hg0B1 ASN 6 HB2 -0.00 -0.07 0.14 -0.04 2.88 2.91 1hg0B1 ASN 6 HB3 -0.00 0.04 0.13 -0.04 2.79 2.92 1hg0B1 ASN 6 HD21 -0.00 -0.09 0.02 -0.04 7.03 6.92 1hg0B1 ASN 6 HD22 -0.00 0.04 0.07 -0.04 7.74 7.80 1hg0B1 ILE 7 H -0.01 0.58 0.21 -0.55 8.25 8.48 1hg0B1 ILE 7 HA -0.01 0.33 1.07 -0.75 4.18 4.82 1hg0B1 ILE 7 HB -0.01 -0.08 -0.14 -0.04 1.89 1.62 1hg0B1 ILE 7 HG12 -0.01 -0.01 -0.52 -0.04 1.49 0.91 1hg0B1 ILE 7 HG13 -0.01 0.02 -0.29 -0.04 1.21 0.90 1hg0B1 ILE 7 HG23 -0.02 -0.01 -0.36 -0.04 0.93 0.50 1hg0B1 ILE 7 HD13 -0.01 0.05 -0.43 -0.04 0.88 0.45 1hg0B1 VAL 8 H -0.02 0.52 0.35 -0.55 8.24 8.54 1hg0B1 VAL 8 HA -0.01 0.16 0.97 -0.75 4.13 4.50 1hg0B1 VAL 8 HB -0.02 0.00 0.14 -0.04 2.12 2.20 1hg0B1 VAL 8 HG13 -0.01 -0.02 -0.21 -0.04 0.97 0.68 1hg0B1 VAL 8 HG23 -0.01 0.02 -0.08 -0.04 0.95 0.84 1hg0B1 ILE 9 H -0.02 0.77 0.36 -0.55 8.25 8.81 1hg0B1 ILE 9 HA -0.05 0.28 1.06 -0.75 4.18 4.72 1hg0B1 ILE 9 HB -0.01 -0.06 0.15 -0.04 1.89 1.93 1hg0B1 ILE 9 HG12 -0.03 0.03 -0.12 -0.04 1.49 1.32 1hg0B1 ILE 9 HG13 -0.02 0.04 -0.28 -0.04 1.21 0.90 1hg0B1 ILE 9 HG23 -0.02 -0.04 -0.19 -0.04 0.93 0.64 1hg0B1 ILE 9 HD13 -0.01 -0.01 -0.15 -0.04 0.88 0.66 1hg0B1 LEU 10 H -0.08 0.73 0.34 -0.55 8.37 8.82 1hg0B1 LEU 10 HA -0.00 0.17 0.92 -0.75 4.35 4.69 1hg0B1 LEU 10 HB2 -0.14 0.06 0.16 -0.04 1.64 1.68 1hg0B1 LEU 10 HB3 -0.12 -0.05 -0.01 -0.04 1.64 1.42 1hg0B1 LEU 10 HG -0.04 0.01 -0.12 -0.04 1.64 1.45 1hg0B1 LEU 10 HD13 -0.15 0.01 -0.09 -0.04 0.93 0.65 1hg0B1 LEU 10 HD23 0.05 0.00 -0.05 -0.04 0.89 0.85 1hg0B1 ALA 11 H 0.04 0.66 0.48 -0.55 8.40 9.03 1hg0B1 ALA 11 HA 0.01 0.06 0.93 -0.75 4.34 4.59 1hg0B1 ALA 11 HB3 0.02 -0.01 0.14 -0.04 1.41 1.52 1hg0B1 THR 12 H 0.04 0.30 0.31 -0.55 8.28 8.38 1hg0B1 THR 12 HA 0.18 0.14 0.89 -0.75 4.39 4.86 1hg0B1 THR 12 HB 0.12 -0.08 0.01 -0.04 4.32 4.33 1hg0B1 THR 12 HG23 0.05 0.04 -0.16 -0.04 1.22 1.10 1hg0B1 GLY 13 H 0.02 0.09 0.13 -0.55 8.43 8.13 1hg0B1 GLY 13 HA2 0.01 0.10 0.26 -0.51 4.01 3.87 1hg0B1 GLY 13 HA3 -0.01 0.16 0.93 -0.51 4.01 4.58 1hg0B1 GLY 14 H 0.01 0.22 -0.04 -0.55 8.43 8.07 1hg0B1 GLY 14 HA2 0.03 -0.09 0.44 -0.51 4.01 3.89 1hg0B1 GLY 14 HA3 0.03 0.26 0.56 -0.51 4.01 4.34 1hg0B1 THR 15 H 0.08 0.14 0.24 -0.55 8.28 8.19 1hg0B1 THR 15 HA 0.02 0.04 0.35 -0.75 4.39 4.05 1hg0B1 THR 15 HB 0.00 0.22 0.10 -0.04 4.32 4.60 1hg0B1 THR 15 HG23 -0.57 0.08 -0.45 -0.04 1.22 0.25 1hg0B1 ILE 16 H 0.01 0.05 -0.27 -0.55 8.25 7.49 1hg0B1 ILE 16 HA -0.03 0.11 0.37 -0.75 4.18 3.87 1hg0B1 ILE 16 HB 0.02 -0.13 -0.01 -0.04 1.89 1.73 1hg0B1 ILE 16 HG12 -0.00 0.06 -0.11 -0.04 1.49 1.40 1hg0B1 ILE 16 HG13 -0.01 -0.07 0.03 -0.04 1.21 1.12 1hg0B1 ILE 16 HG23 0.02 -0.00 -0.15 -0.04 0.93 0.75 1hg0B1 ILE 16 HD13 0.00 0.03 -0.16 -0.04 0.88 0.71 1hg0B1 ALA 17 H 0.00 0.42 -0.64 -0.55 8.40 7.63 1hg0B1 ALA 17 HA -0.01 0.24 0.73 -0.75 4.34 4.55 1hg0B1 ALA 17 HB3 0.01 -0.00 -0.02 -0.04 1.41 1.35 1hg0B1 GLY 18 H -0.04 0.71 -0.21 -0.55 8.43 8.34 1hg0B1 GLY 18 HA2 0.06 0.38 0.77 -0.51 4.01 4.71 1hg0B1 GLY 18 HA3 0.01 -0.12 0.24 -0.51 4.01 3.62 1hg0B1 SER 19 H 0.09 0.36 0.26 -0.55 8.46 8.62 1hg0B1 SER 19 HA 0.00 0.04 0.83 -0.75 4.49 4.61 1hg0B1 SER 19 HB2 0.03 0.01 -0.00 -0.04 3.95 3.95 1hg0B1 SER 19 HB3 0.02 0.14 -0.02 -0.04 3.93 4.03 1hg0B1 ALA 20 H 0.03 0.23 0.08 -0.55 8.40 8.19 1hg0B1 ALA 20 HA 0.08 0.18 0.80 -0.75 4.34 4.65 1hg0B1 ALA 20 HB3 0.10 0.01 -0.10 -0.04 1.41 1.38 1hg0B1 ALA 21 H 0.04 0.12 0.12 -0.55 8.40 8.12 1hg0B1 ALA 21 HA 0.02 0.11 0.45 -0.75 4.34 4.16 1hg0B1 ALA 21 HB3 0.02 -0.01 0.12 -0.04 1.41 1.50 1hg0B1 THR 22 H 0.02 0.01 0.05 -0.55 8.28 7.82 1hg0B1 THR 22 HA 0.01 0.34 0.96 -0.75 4.39 4.94 1hg0B1 THR 22 HB 0.01 -0.08 0.18 -0.04 4.32 4.39 1hg0B1 THR 22 HG23 0.01 0.03 -0.07 -0.04 1.22 1.15 1hg0B1 GLY 23 H 0.01 0.16 0.18 -0.55 8.43 8.23 1hg0B1 GLY 23 HA2 0.00 0.52 0.66 -0.51 4.01 4.68 1hg0B1 GLY 23 HA3 0.00 0.03 0.40 -0.51 4.01 3.93 1hg0B1 THR 24 H 0.01 0.02 -0.22 -0.55 8.28 7.54 1hg0B1 THR 24 HA 0.01 0.13 0.44 -0.75 4.39 4.21 1hg0B1 THR 24 HB 0.01 0.01 -0.06 -0.04 4.32 4.24 1hg0B1 THR 24 HG23 0.01 0.01 0.07 -0.04 1.22 1.27 1hg0B1 GLN 25 H 0.02 0.21 -0.59 -0.55 8.47 7.58 1hg0B1 GLN 25 HA 0.05 0.09 0.72 -0.75 4.36 4.46 1hg0B1 GLN 25 HB2 0.05 0.15 0.07 -0.04 2.15 2.37 1hg0B1 GLN 25 HB3 0.09 0.01 -0.12 -0.04 2.02 1.96 1hg0B1 GLN 25 HG2 0.04 0.12 0.03 -0.04 2.40 2.54 1hg0B1 GLN 25 HG3 0.03 -0.08 -0.06 -0.04 2.39 2.24 1hg0B1 GLN 25 HE21 0.02 0.01 0.07 -0.04 6.97 7.04 1hg0B1 GLN 25 HE22 0.03 0.12 0.05 -0.04 7.69 7.85 1hg0B1 THR 26 H 0.07 0.16 0.22 -0.55 8.28 8.19 1hg0B1 THR 26 HA 0.03 0.16 0.83 -0.75 4.39 4.66 1hg0B1 THR 26 HB 0.05 0.01 0.15 -0.04 4.32 4.48 1hg0B1 THR 26 HG23 0.01 0.02 -0.15 -0.04 1.22 1.06 1hg0B1 THR 27 H 0.14 0.17 0.13 -0.55 8.28 8.17 1hg0B1 THR 27 HA 0.20 0.11 0.72 -0.75 4.39 4.67 1hg0B1 THR 27 HB -0.00 0.00 0.08 -0.04 4.32 4.36 1hg0B1 THR 27 HG23 0.08 0.01 -0.17 -0.04 1.22 1.10 1hg0B1 GLY 28 H -0.34 0.14 0.16 -0.55 8.43 7.84 1hg0B1 GLY 28 HA2 -0.15 0.06 0.36 -0.51 4.01 3.76 1hg0B1 GLY 28 HA3 -0.05 0.15 0.68 -0.51 4.01 4.27 1hg0B1 TYR 29 H -0.78 -0.07 -0.14 -0.55 8.29 6.75 1hg0B1 TYR 29 HA 0.00 0.24 0.63 -0.75 4.56 4.68 1hg0B1 TYR 29 HB2 0.00 -0.05 -0.27 -0.04 3.06 2.70 1hg0B1 TYR 29 HB3 0.00 0.04 -0.36 -0.04 2.98 2.63 1hg0B1 TYR 29 HD2 0.01 -0.04 -0.61 -0.04 7.15 6.47 1hg0B1 TYR 29 HE2 0.01 0.14 -0.03 -0.04 6.85 6.93 1hg0B1 LYS 30 H 0.21 0.42 0.17 -0.55 8.42 8.66 1hg0B1 LYS 30 HA 0.03 0.16 0.99 -0.75 4.32 4.75 1hg0B1 LYS 30 HB2 0.03 0.06 -0.02 -0.04 1.87 1.89 1hg0B1 LYS 30 HB3 0.06 0.00 0.17 -0.04 1.79 1.98 1hg0B1 LYS 30 HG2 0.04 0.18 -0.46 -0.04 1.46 1.18 1hg0B1 LYS 30 HG3 0.02 -0.04 -0.02 -0.04 1.46 1.38 1hg0B1 LYS 30 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 1hg0B1 LYS 30 HD3 0.02 -0.04 -0.05 -0.04 1.68 1.58 1hg0B1 LYS 30 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 1hg0B1 LYS 30 HE3 0.02 0.15 -0.17 -0.04 2.99 2.94 1hg0B1 ALA 31 H 0.09 0.15 0.03 -0.55 8.40 8.13 1hg0B1 ALA 31 HA 0.14 0.04 0.16 -0.75 4.34 3.92 1hg0B1 ALA 31 HB3 0.11 -0.06 -0.04 -0.04 1.41 1.39 1hg0B1 GLY 32 H 0.04 0.31 -0.17 -0.55 8.43 8.06 1hg0B1 GLY 32 HA2 0.02 -0.00 0.19 -0.51 4.01 3.71 1hg0B1 GLY 32 HA3 0.02 0.01 0.04 -0.51 4.01 3.57 1hg0B1 ALA 33 H 0.03 0.37 -0.06 -0.55 8.40 8.19 1hg0B1 ALA 33 HA 0.02 0.20 0.80 -0.75 4.34 4.61 1hg0B1 ALA 33 HB3 0.03 -0.00 0.02 -0.04 1.41 1.41 1hg0B1 LEU 34 H 0.01 0.32 0.19 -0.55 8.37 8.35 1hg0B1 LEU 34 HA 0.01 0.16 0.80 -0.75 4.35 4.56 1hg0B1 LEU 34 HB2 0.00 -0.07 0.04 -0.04 1.64 1.57 1hg0B1 LEU 34 HB3 0.00 -0.01 0.00 -0.04 1.64 1.59 1hg0B1 LEU 34 HG 0.00 0.09 -0.23 -0.04 1.64 1.47 1hg0B1 LEU 34 HD13 -0.01 0.00 -0.13 -0.04 0.93 0.75 1hg0B1 LEU 34 HD23 0.00 0.02 -0.19 -0.04 0.89 0.68 1hg0B1 GLY 35 H 0.00 0.12 0.12 -0.55 8.43 8.13 1hg0B1 GLY 35 HA2 0.00 0.19 0.48 -0.51 4.01 4.18 1hg0B1 GLY 35 HA3 0.00 0.03 0.30 -0.51 4.01 3.84 1hg0B1 VAL 36 H 0.01 0.21 0.11 -0.55 8.24 8.02 1hg0B1 VAL 36 HA 0.00 0.12 0.36 -0.75 4.13 3.86 1hg0B1 VAL 36 HB 0.01 0.05 0.06 -0.04 2.12 2.20 1hg0B1 VAL 36 HG13 0.01 0.01 -0.12 -0.04 0.97 0.83 1hg0B1 VAL 36 HG23 0.00 0.03 -0.04 -0.04 0.95 0.89 1hg0B1 ASP 37 H 0.00 0.13 -0.10 -0.55 8.40 7.88 1hg0B1 ASP 37 HA -0.00 0.12 0.39 -0.75 4.63 4.38 1hg0B1 ASP 37 HB2 -0.00 -0.02 0.02 -0.04 2.71 2.67 1hg0B1 ASP 37 HB3 -0.00 0.09 0.01 -0.04 2.70 2.75 1hg0B1 THR 38 H -0.00 0.07 -0.53 -0.55 8.28 7.26 1hg0B1 THR 38 HA -0.00 0.10 0.38 -0.75 4.39 4.12 1hg0B1 THR 38 HB -0.00 0.18 0.05 -0.04 4.32 4.51 1hg0B1 THR 38 HG23 -0.00 0.02 -0.11 -0.04 1.22 1.08 1hg0B1 LEU 39 H -0.00 0.33 -0.25 -0.55 8.37 7.90 1hg0B1 LEU 39 HA -0.01 0.06 0.39 -0.75 4.35 4.04 1hg0B1 LEU 39 HB2 -0.00 0.13 0.07 -0.04 1.64 1.80 1hg0B1 LEU 39 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 1hg0B1 LEU 39 HG -0.00 0.20 -0.09 -0.04 1.64 1.72 1hg0B1 LEU 39 HD13 0.00 -0.04 -0.13 -0.04 0.93 0.72 1hg0B1 LEU 39 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.77 1hg0B1 ILE 40 H -0.00 0.33 -0.27 -0.55 8.25 7.76 1hg0B1 ILE 40 HA -0.01 0.08 0.37 -0.75 4.18 3.86 1hg0B1 ILE 40 HB -0.00 0.04 0.09 -0.04 1.89 1.98 1hg0B1 ILE 40 HG12 -0.01 0.01 -0.11 -0.04 1.49 1.34 1hg0B1 ILE 40 HG13 -0.00 0.13 -0.02 -0.04 1.21 1.27 1hg0B1 ILE 40 HG23 -0.00 0.01 -0.19 -0.04 0.93 0.70 1hg0B1 ILE 40 HD13 -0.00 -0.02 -0.18 -0.04 0.88 0.64 1hg0B1 ASN 41 H -0.00 0.57 -0.07 -0.55 8.53 8.48 1hg0B1 ASN 41 HA -0.00 0.05 0.38 -0.75 4.76 4.43 1hg0B1 ASN 41 HB2 -0.00 0.02 0.05 -0.04 2.88 2.92 1hg0B1 ASN 41 HB3 -0.00 -0.02 0.06 -0.04 2.79 2.78 1hg0B1 ASN 41 HD21 -0.00 -0.08 -0.05 -0.04 7.03 6.85 1hg0B1 ASN 41 HD22 -0.00 -0.07 -0.09 -0.04 7.74 7.54 1hg0B1 ALA 42 H -0.00 0.19 -0.72 -0.55 8.40 7.32 1hg0B1 ALA 42 HA -0.00 0.03 0.46 -0.75 4.34 4.07 1hg0B1 ALA 42 HB3 -0.01 0.04 0.08 -0.04 1.41 1.49 1hg0B1 VAL 43 H -0.01 0.34 -0.40 -0.55 8.24 7.62 1hg0B1 VAL 43 HA -0.01 0.16 0.88 -0.75 4.13 4.41 1hg0B1 VAL 43 HB -0.01 -0.04 0.23 -0.04 2.12 2.26 1hg0B1 VAL 43 HG13 -0.01 -0.00 0.04 -0.04 0.97 0.95 1hg0B1 VAL 43 HG23 -0.01 0.10 -0.07 -0.04 0.95 0.93 1hg0B1 PRO 44 HA -0.00 0.10 0.38 -0.51 4.44 4.40 1hg0B1 PRO 44 HB2 -0.00 0.01 -0.02 -0.04 2.28 2.22 1hg0B1 PRO 44 HB3 -0.00 0.07 0.10 -0.04 2.02 2.15 1hg0B1 PRO 44 HG2 -0.00 -0.07 0.00 -0.04 2.03 1.91 1hg0B1 PRO 44 HG3 -0.00 0.06 0.02 -0.04 2.03 2.07 1hg0B1 PRO 44 HD2 -0.00 0.17 -0.11 -0.04 3.68 3.70 1hg0B1 PRO 44 HD3 -0.00 0.49 -0.28 -0.04 3.65 3.81 1hg0B1 GLU 45 H -0.01 0.11 -0.42 -0.55 8.60 7.74 1hg0B1 GLU 45 HA -0.00 0.08 0.32 -0.75 4.29 3.93 1hg0B1 GLU 45 HB2 -0.01 0.00 -0.04 -0.04 2.09 2.01 1hg0B1 GLU 45 HB3 -0.01 0.03 0.00 -0.04 1.99 1.98 1hg0B1 GLU 45 HG2 -0.01 0.01 -0.01 -0.04 2.34 2.29 1hg0B1 GLU 45 HG3 -0.00 0.03 -0.00 -0.04 2.34 2.32 1hg0B1 VAL 46 H -0.01 0.64 -0.28 -0.55 8.24 8.04 1hg0B1 VAL 46 HA -0.01 0.02 0.35 -0.75 4.13 3.73 1hg0B1 VAL 46 HB -0.01 -0.01 0.08 -0.04 2.12 2.13 1hg0B1 VAL 46 HG13 -0.01 0.05 -0.09 -0.04 0.97 0.89 1hg0B1 VAL 46 HG23 -0.01 -0.02 -0.08 -0.04 0.95 0.80 1hg0B1 LYS 47 H -0.01 0.57 -0.29 -0.55 8.42 8.14 1hg0B1 LYS 47 HA -0.01 0.19 0.58 -0.75 4.32 4.33 1hg0B1 LYS 47 HB2 -0.00 0.22 0.17 -0.04 1.87 2.21 1hg0B1 LYS 47 HB3 -0.00 -0.03 0.16 -0.04 1.79 1.88 1hg0B1 LYS 47 HG2 -0.00 -0.01 0.11 -0.04 1.46 1.52 1hg0B1 LYS 47 HG3 -0.00 -0.07 -0.00 -0.04 1.46 1.34 1hg0B1 LYS 47 HD2 -0.00 -0.00 0.04 -0.04 1.69 1.69 1hg0B1 LYS 47 HD3 -0.00 -0.04 0.00 -0.04 1.68 1.60 1hg0B1 LYS 47 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.92 1hg0B1 LYS 47 HE3 -0.00 0.09 0.08 -0.04 2.99 3.11 1hg0B1 LYS 48 H -0.01 0.53 -0.46 -0.55 8.42 7.94 1hg0B1 LYS 48 HA -0.00 0.15 0.79 -0.75 4.32 4.50 1hg0B1 LYS 48 HB2 -0.00 -0.05 0.12 -0.04 1.87 1.90 1hg0B1 LYS 48 HB3 -0.00 -0.07 0.02 -0.04 1.79 1.69 1hg0B1 LYS 48 HG2 -0.01 0.63 0.13 -0.04 1.46 2.17 1hg0B1 LYS 48 HG3 -0.01 -0.04 -0.21 -0.04 1.46 1.17 1hg0B1 LYS 48 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.61 1hg0B1 LYS 48 HD3 -0.00 -0.09 0.04 -0.04 1.68 1.58 1hg0B1 LYS 48 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.91 1hg0B1 LYS 48 HE3 -0.00 -0.07 -0.02 -0.04 2.99 2.86 1hg0B1 LEU 49 H -0.01 0.32 -0.13 -0.55 8.37 8.01 1hg0B1 LEU 49 HA -0.01 0.14 0.79 -0.75 4.35 4.52 1hg0B1 LEU 49 HB2 -0.01 0.13 0.07 -0.04 1.64 1.78 1hg0B1 LEU 49 HB3 -0.01 -0.02 -0.04 -0.04 1.64 1.54 1hg0B1 LEU 49 HG -0.01 0.02 -0.08 -0.04 1.64 1.53 1hg0B1 LEU 49 HD13 -0.01 -0.05 -0.05 -0.04 0.93 0.78 1hg0B1 LEU 49 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.78 1hg0B1 ALA 50 H -0.01 0.24 0.00 -0.55 8.40 8.09 1hg0B1 ALA 50 HA -0.00 0.06 0.37 -0.75 4.34 4.01 1hg0B1 ALA 50 HB3 -0.01 0.07 -0.15 -0.04 1.41 1.28 1hg0B1 ASN 51 H -0.00 0.77 0.17 -0.55 8.53 8.92 1hg0B1 ASN 51 HA -0.00 0.08 0.71 -0.75 4.76 4.79 1hg0B1 ASN 51 HB2 -0.00 0.00 0.19 -0.04 2.88 3.03 1hg0B1 ASN 51 HB3 -0.00 -0.03 0.05 -0.04 2.79 2.76 1hg0B1 ASN 51 HD21 -0.00 -0.01 -0.07 -0.04 7.03 6.91 1hg0B1 ASN 51 HD22 -0.00 0.02 -0.02 -0.04 7.74 7.70 1hg0B1 VAL 52 H -0.00 0.18 0.09 -0.55 8.24 7.95 1hg0B1 VAL 52 HA -0.01 0.45 0.97 -0.75 4.13 4.78 1hg0B1 VAL 52 HB -0.01 -0.06 -0.12 -0.04 2.12 1.89 1hg0B1 VAL 52 HG13 -0.01 0.02 -0.26 -0.04 0.97 0.68 1hg0B1 VAL 52 HG23 -0.01 -0.01 -0.07 -0.04 0.95 0.82 1hg0B1 LYS 53 H -0.01 0.54 0.40 -0.55 8.42 8.80 1hg0B1 LYS 53 HA -0.00 0.12 0.85 -0.75 4.32 4.54 1hg0B1 LYS 53 HB2 -0.00 -0.07 0.09 -0.04 1.87 1.84 1hg0B1 LYS 53 HB3 -0.00 0.00 0.03 -0.04 1.79 1.78 1hg0B1 LYS 53 HG2 -0.00 0.02 -0.14 -0.04 1.46 1.30 1hg0B1 LYS 53 HG3 -0.00 0.11 -0.21 -0.04 1.46 1.31 1hg0B1 LYS 53 HD2 -0.00 -0.03 -0.09 -0.04 1.69 1.53 1hg0B1 LYS 53 HD3 -0.00 -0.04 -0.05 -0.04 1.68 1.54 1hg0B1 LYS 53 HE2 -0.00 -0.02 -0.06 -0.04 2.99 2.86 1hg0B1 LYS 53 HE3 -0.00 0.07 -0.08 -0.04 2.99 2.94 1hg0B1 GLY 54 H -0.00 0.16 0.14 -0.55 8.43 8.19 1hg0B1 GLY 54 HA2 -0.00 0.25 0.98 -0.51 4.01 4.72 1hg0B1 GLY 54 HA3 0.00 -0.09 0.27 -0.51 4.01 3.68 1hg0B1 GLU 55 H 0.01 0.62 0.37 -0.55 8.60 9.05 1hg0B1 GLU 55 HA 0.02 0.13 0.80 -0.75 4.29 4.48 1hg0B1 GLU 55 HB2 0.02 0.07 -0.21 -0.04 2.09 1.93 1hg0B1 GLU 55 HB3 0.03 -0.04 0.06 -0.04 1.99 2.00 1hg0B1 GLU 55 HG2 0.07 -0.02 -0.28 -0.04 2.34 2.07 1hg0B1 GLU 55 HG3 0.03 0.02 0.01 -0.04 2.34 2.36 1hg0B1 GLN 56 H 0.02 0.22 0.10 -0.55 8.47 8.27 1hg0B1 GLN 56 HA 0.05 0.06 0.87 -0.75 4.36 4.59 1hg0B1 GLN 56 HB2 0.01 -0.12 0.12 -0.04 2.15 2.12 1hg0B1 GLN 56 HB3 0.00 0.08 0.20 -0.04 2.02 2.26 1hg0B1 GLN 56 HG2 -0.00 0.01 -0.06 -0.04 2.40 2.31 1hg0B1 GLN 56 HG3 0.01 0.09 -0.21 -0.04 2.39 2.23 1hg0B1 GLN 56 HE21 0.02 -0.10 -0.05 -0.04 6.97 6.80 1hg0B1 GLN 56 HE22 0.03 0.53 -0.13 -0.04 7.69 8.07 1hg0B1 PHE 57 H 0.18 0.39 0.34 -0.55 8.34 8.70 1hg0B1 PHE 57 HA -0.01 0.08 0.51 -0.75 4.62 4.44 1hg0B1 PHE 57 HB2 -0.01 -0.03 0.02 -0.04 3.15 3.08 1hg0B1 PHE 57 HB3 -0.01 0.11 0.03 -0.04 3.06 3.15 1hg0B1 PHE 57 HD2 -0.00 -0.01 -0.13 -0.04 7.28 7.09 1hg0B1 PHE 57 HE2 0.00 -0.02 -0.17 -0.04 7.38 7.15 1hg0B1 PHE 57 HZ -0.01 0.10 -0.03 -0.04 7.32 7.34 1hg0B1 SER 58 H 0.12 0.56 0.27 -0.55 8.46 8.87 1hg0B1 SER 58 HA -0.08 0.10 0.29 -0.75 4.49 4.04 1hg0B1 SER 58 HB2 -0.03 -0.11 0.11 -0.04 3.95 3.88 1hg0B1 SER 58 HB3 -0.23 0.22 0.01 -0.04 3.93 3.89 1hg0B1 ASN 59 H -0.01 0.18 -0.08 -0.55 8.53 8.06 1hg0B1 ASN 59 HA 0.01 -0.03 0.23 -0.75 4.76 4.23 1hg0B1 ASN 59 HB2 -0.00 -0.04 -0.33 -0.04 2.88 2.47 1hg0B1 ASN 59 HB3 -0.00 0.10 0.15 -0.04 2.79 3.00 1hg0B1 ASN 59 HD21 0.01 0.26 -0.47 -0.04 7.03 6.79 1hg0B1 ASN 59 HD22 0.00 -0.04 -0.25 -0.04 7.74 7.40 1hg0B1 MET 60 H -0.00 0.67 0.33 -0.55 8.47 8.92 1hg0B1 MET 60 HA -0.00 0.27 0.84 -0.75 4.52 4.87 1hg0B1 MET 60 HB2 -0.01 0.01 0.03 -0.04 2.15 2.14 1hg0B1 MET 60 HB3 -0.01 0.07 -0.14 -0.04 2.03 1.91 1hg0B1 MET 60 HG2 0.01 0.07 -0.05 -0.04 2.63 2.61 1hg0B1 MET 60 HG3 -0.03 -0.13 -0.41 -0.04 2.56 1.94 1hg0B1 MET 60 HE3 0.00 0.01 -0.05 -0.04 2.10 2.02 1hg0B1 ALA 61 H -0.00 0.28 0.10 -0.55 8.40 8.23 1hg0B1 ALA 61 HA 0.01 -0.14 0.52 -0.75 4.34 3.98 1hg0B1 ALA 61 HB3 0.01 0.05 0.11 -0.04 1.41 1.54 1hg0B1 SER 62 H -0.01 -0.01 0.21 -0.55 8.46 8.10 1hg0B1 SER 62 HA -0.09 0.21 0.28 -0.75 4.49 4.14 1hg0B1 SER 62 HB2 0.11 0.14 -0.00 -0.04 3.95 4.16 1hg0B1 SER 62 HB3 -0.12 -0.13 0.15 -0.04 3.93 3.79 1hg0B1 GLU 63 H 0.02 0.01 -0.33 -0.55 8.60 7.75 1hg0B1 GLU 63 HA 0.03 0.11 0.37 -0.75 4.29 4.04 1hg0B1 GLU 63 HB2 0.01 0.12 0.07 -0.04 2.09 2.24 1hg0B1 GLU 63 HB3 0.01 -0.06 0.07 -0.04 1.99 1.97 1hg0B1 GLU 63 HG2 0.00 0.06 -0.19 -0.04 2.34 2.18 1hg0B1 GLU 63 HG3 -0.00 0.10 -0.08 -0.04 2.34 2.31 1hg0B1 ASN 64 H 0.00 0.33 -0.48 -0.55 8.53 7.83 1hg0B1 ASN 64 HA 0.00 0.23 0.77 -0.75 4.76 5.01 1hg0B1 ASN 64 HB2 -0.00 0.05 0.05 -0.04 2.88 2.93 1hg0B1 ASN 64 HB3 -0.00 0.01 0.10 -0.04 2.79 2.85 1hg0B1 ASN 64 HD21 -0.01 0.03 -0.02 -0.04 7.03 6.99 1hg0B1 ASN 64 HD22 -0.01 -0.09 0.03 -0.04 7.74 7.63 1hg0B1 MET 65 H 0.01 0.36 -0.30 -0.55 8.47 8.00 1hg0B1 MET 65 HA 0.02 0.00 0.42 -0.75 4.52 4.21 1hg0B1 MET 65 HB2 0.02 -0.14 0.09 -0.04 2.15 2.07 1hg0B1 MET 65 HB3 0.07 0.07 0.06 -0.04 2.03 2.19 1hg0B1 MET 65 HG2 0.24 -0.05 -0.07 -0.04 2.63 2.71 1hg0B1 MET 65 HG3 0.06 0.04 -0.18 -0.04 2.56 2.45 1hg0B1 MET 65 HE3 -0.02 -0.01 -0.10 -0.04 2.10 1.92 1hg0B1 THR 66 H 0.02 0.08 0.20 -0.55 8.28 8.03 1hg0B1 THR 66 HA -0.00 0.33 0.98 -0.75 4.39 4.94 1hg0B1 THR 66 HB -0.01 -0.06 0.12 -0.04 4.32 4.33 1hg0B1 THR 66 HG23 0.00 0.11 -0.15 -0.04 1.22 1.14 1hg0B1 GLY 67 H -0.03 0.27 0.13 -0.55 8.43 8.26 1hg0B1 GLY 67 HA2 -0.17 0.08 0.32 -0.51 4.01 3.74 1hg0B1 GLY 67 HA3 -0.06 0.17 0.31 -0.51 4.01 3.92 1hg0B1 ASP 68 H -0.02 0.11 -0.14 -0.55 8.40 7.80 1hg0B1 ASP 68 HA -0.02 0.17 0.37 -0.75 4.63 4.40 1hg0B1 ASP 68 HB2 0.00 0.08 0.03 -0.04 2.71 2.79 1hg0B1 ASP 68 HB3 0.00 0.09 0.11 -0.04 2.70 2.87 1hg0B1 VAL 69 H -0.01 0.10 -0.34 -0.55 8.24 7.45 1hg0B1 VAL 69 HA 0.09 0.14 0.51 -0.75 4.13 4.12 1hg0B1 VAL 69 HB 0.06 -0.04 0.17 -0.04 2.12 2.26 1hg0B1 VAL 69 HG13 0.25 0.01 -0.12 -0.04 0.97 1.07 1hg0B1 VAL 69 HG23 0.01 0.01 0.02 -0.04 0.95 0.96 1hg0B1 VAL 70 H -0.07 0.61 0.01 -0.55 8.24 8.24 1hg0B1 VAL 70 HA -0.08 -0.01 0.36 -0.75 4.13 3.65 1hg0B1 VAL 70 HB -0.47 0.10 0.04 -0.04 2.12 1.76 1hg0B1 VAL 70 HG13 -0.59 0.01 -0.13 -0.04 0.97 0.21 1hg0B1 VAL 70 HG23 -0.07 0.01 -0.12 -0.04 0.95 0.74 1hg0B1 LEU 71 H -0.20 0.59 -0.31 -0.55 8.37 7.91 1hg0B1 LEU 71 HA -0.06 0.02 0.31 -0.75 4.35 3.87 1hg0B1 LEU 71 HB2 -0.07 0.03 -0.02 -0.04 1.64 1.55 1hg0B1 LEU 71 HB3 -0.01 0.13 0.07 -0.04 1.64 1.79 1hg0B1 LEU 71 HG 0.07 0.03 -0.24 -0.04 1.64 1.45 1hg0B1 LEU 71 HD13 0.20 0.00 -0.06 -0.04 0.93 1.04 1hg0B1 LEU 71 HD23 0.05 0.01 -0.44 -0.04 0.89 0.48 1hg0B1 LYS 72 H 0.06 0.39 -0.21 -0.55 8.42 8.11 1hg0B1 LYS 72 HA 0.09 0.05 0.42 -0.75 4.32 4.13 1hg0B1 LYS 72 HB2 0.23 0.09 0.18 -0.04 1.87 2.33 1hg0B1 LYS 72 HB3 0.24 -0.05 0.00 -0.04 1.79 1.94 1hg0B1 LYS 72 HG2 0.07 -0.01 0.06 -0.04 1.46 1.53 1hg0B1 LYS 72 HG3 0.06 0.17 0.12 -0.04 1.46 1.77 1hg0B1 LYS 72 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 1hg0B1 LYS 72 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 1hg0B1 LYS 72 HE2 0.02 0.01 0.02 -0.04 2.99 3.00 1hg0B1 LYS 72 HE3 0.01 0.02 0.02 -0.04 2.99 2.99 1hg0B1 LEU 73 H 0.06 0.50 -0.27 -0.55 8.37 8.11 1hg0B1 LEU 73 HA -0.47 -0.00 0.38 -0.75 4.35 3.51 1hg0B1 LEU 73 HB2 -0.56 -0.01 0.04 -0.04 1.64 1.07 1hg0B1 LEU 73 HB3 -0.14 0.15 0.13 -0.04 1.64 1.73 1hg0B1 LEU 73 HG -0.20 0.02 -0.27 -0.04 1.64 1.15 1hg0B1 LEU 73 HD13 -0.87 -0.01 -0.04 -0.04 0.93 -0.04 1hg0B1 LEU 73 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 1hg0B1 SER 74 H 0.01 0.56 -0.25 -0.55 8.46 8.24 1hg0B1 SER 74 HA 0.06 -0.01 0.35 -0.75 4.49 4.14 1hg0B1 SER 74 HB2 0.29 -0.02 -0.00 -0.04 3.95 4.17 1hg0B1 SER 74 HB3 0.20 0.22 0.11 -0.04 3.93 4.41 1hg0B1 GLN 75 H 0.07 0.51 -0.14 -0.55 8.47 8.36 1hg0B1 GLN 75 HA 0.05 0.02 0.39 -0.75 4.36 4.07 1hg0B1 GLN 75 HB2 0.07 0.08 0.14 -0.04 2.15 2.40 1hg0B1 GLN 75 HB3 0.05 -0.06 0.04 -0.04 2.02 2.01 1hg0B1 GLN 75 HG2 0.06 -0.09 -0.06 -0.04 2.40 2.27 1hg0B1 GLN 75 HG3 0.08 0.26 0.06 -0.04 2.39 2.75 1hg0B1 GLN 75 HE21 0.05 0.26 0.08 -0.04 6.97 7.32 1hg0B1 GLN 75 HE22 0.06 0.01 0.09 -0.04 7.69 7.81 1hg0B1 ARG 76 H 0.05 0.62 -0.18 -0.55 8.46 8.39 1hg0B1 ARG 76 HA 0.05 0.01 0.42 -0.75 4.34 4.06 1hg0B1 ARG 76 HB2 0.14 0.03 0.10 -0.04 1.90 2.13 1hg0B1 ARG 76 HB3 0.01 0.09 0.13 -0.04 1.80 1.99 1hg0B1 ARG 76 HG2 0.16 -0.04 -0.05 -0.04 1.67 1.70 1hg0B1 ARG 76 HG3 0.03 -0.01 -0.23 -0.04 1.67 1.41 1hg0B1 ARG 76 HD2 0.04 -0.04 0.11 -0.04 3.22 3.30 1hg0B1 ARG 76 HD3 0.08 0.01 0.01 -0.04 3.22 3.28 1hg0B1 VAL 77 H -0.02 0.55 -0.21 -0.55 8.24 8.00 1hg0B1 VAL 77 HA -0.03 -0.01 0.41 -0.75 4.13 3.74 1hg0B1 VAL 77 HB -0.01 0.13 0.12 -0.04 2.12 2.32 1hg0B1 VAL 77 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.75 1hg0B1 VAL 77 HG23 -0.11 0.02 -0.02 -0.04 0.95 0.80 1hg0B1 ASN 78 H 0.01 0.47 -0.25 -0.55 8.53 8.22 1hg0B1 ASN 78 HA 0.01 0.02 0.37 -0.75 4.76 4.41 1hg0B1 ASN 78 HB2 0.02 0.11 0.19 -0.04 2.88 3.15 1hg0B1 ASN 78 HB3 0.02 -0.01 -0.03 -0.04 2.79 2.72 1hg0B1 ASN 78 HD21 0.02 0.40 0.13 -0.04 7.03 7.54 1hg0B1 ASN 78 HD22 0.03 -0.05 -0.08 -0.04 7.74 7.60 1hg0B1 GLU 79 H 0.02 0.41 -0.21 -0.55 8.60 8.27 1hg0B1 GLU 79 HA 0.01 0.05 0.45 -0.75 4.29 4.04 1hg0B1 GLU 79 HB2 0.02 0.09 0.14 -0.04 2.09 2.30 1hg0B1 GLU 79 HB3 0.02 -0.06 0.01 -0.04 1.99 1.91 1hg0B1 GLU 79 HG2 0.02 -0.05 0.02 -0.04 2.34 2.30 1hg0B1 GLU 79 HG3 0.02 0.33 0.11 -0.04 2.34 2.76 1hg0B1 LEU 80 H 0.01 0.49 -0.13 -0.55 8.37 8.19 1hg0B1 LEU 80 HA 0.00 -0.02 0.39 -0.75 4.35 3.97 1hg0B1 LEU 80 HB2 -0.01 0.18 0.18 -0.04 1.64 1.96 1hg0B1 LEU 80 HB3 -0.01 0.05 -0.05 -0.04 1.64 1.59 1hg0B1 LEU 80 HG -0.01 -0.01 -0.04 -0.04 1.64 1.54 1hg0B1 LEU 80 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 1hg0B1 LEU 80 HD23 -0.01 -0.02 -0.09 -0.04 0.89 0.73 1hg0B1 LEU 81 H -0.00 0.58 -0.17 -0.55 8.37 8.24 1hg0B1 LEU 81 HA -0.00 0.10 0.37 -0.75 4.35 4.06 1hg0B1 LEU 81 HB2 0.00 0.06 -0.01 -0.04 1.64 1.66 1hg0B1 LEU 81 HB3 0.00 -0.07 -0.00 -0.04 1.64 1.53 1hg0B1 LEU 81 HG -0.01 0.06 -0.05 -0.04 1.64 1.60 1hg0B1 LEU 81 HD13 0.00 -0.04 -0.20 -0.04 0.93 0.65 1hg0B1 LEU 81 HD23 -0.01 -0.01 -0.24 -0.04 0.89 0.59 1hg0B1 ALA 82 H 0.00 0.25 -0.62 -0.55 8.40 7.49 1hg0B1 ALA 82 HA 0.00 0.05 0.52 -0.75 4.34 4.16 1hg0B1 ALA 82 HB3 0.00 0.03 0.12 -0.04 1.41 1.52 1hg0B1 ARG 83 H 0.00 0.32 -0.28 -0.55 8.46 7.95 1hg0B1 ARG 83 HA 0.00 -0.01 0.53 -0.75 4.34 4.11 1hg0B1 ARG 83 HB2 0.00 0.25 0.12 -0.04 1.90 2.22 1hg0B1 ARG 83 HB3 0.00 -0.23 0.05 -0.04 1.80 1.57 1hg0B1 ARG 83 HG2 0.00 -0.09 0.03 -0.04 1.67 1.58 1hg0B1 ARG 83 HG3 0.00 0.08 0.03 -0.04 1.67 1.74 1hg0B1 ARG 83 HD2 0.01 -0.07 -0.03 -0.04 3.22 3.08 1hg0B1 ARG 83 HD3 0.00 0.13 0.12 -0.04 3.22 3.43 1hg0B1 ASP 84 H 0.00 0.08 0.19 -0.55 8.40 8.13 1hg0B1 ASP 84 HA 0.00 0.22 0.53 -0.75 4.63 4.63 1hg0B1 ASP 84 HB2 0.00 -0.07 0.13 -0.04 2.71 2.73 1hg0B1 ASP 84 HB3 0.00 0.01 0.07 -0.04 2.70 2.74 1hg0B1 ASP 85 H 0.00 -0.00 -0.24 -0.55 8.40 7.61 1hg0B1 ASP 85 HA -0.00 0.22 0.73 -0.75 4.63 4.83 1hg0B1 ASP 85 HB2 -0.00 0.02 0.14 -0.04 2.71 2.83 1hg0B1 ASP 85 HB3 0.00 -0.04 0.02 -0.04 2.70 2.64 1hg0B1 VAL 86 H -0.00 0.40 -0.51 -0.55 8.24 7.58 1hg0B1 VAL 86 HA -0.00 0.12 0.88 -0.75 4.13 4.37 1hg0B1 VAL 86 HB -0.00 0.22 0.08 -0.04 2.12 2.38 1hg0B1 VAL 86 HG13 -0.01 -0.04 -0.22 -0.04 0.97 0.66 1hg0B1 VAL 86 HG23 -0.00 -0.06 -0.17 -0.04 0.95 0.67 1hg0B1 ASP 87 H -0.00 0.59 0.31 -0.55 8.40 8.74 1hg0B1 ASP 87 HA -0.00 0.16 0.83 -0.75 4.63 4.87 1hg0B1 ASP 87 HB2 -0.00 0.03 0.10 -0.04 2.71 2.80 1hg0B1 ASP 87 HB3 0.00 0.04 0.10 -0.04 2.70 2.80 1hg0B1 GLY 88 H -0.01 0.27 0.22 -0.55 8.43 8.36 1hg0B1 GLY 88 HA2 -0.01 0.12 0.41 -0.51 4.01 4.02 1hg0B1 GLY 88 HA3 -0.00 0.15 0.34 -0.51 4.01 3.98 1hg0B1 VAL 89 H -0.02 0.78 0.33 -0.55 8.24 8.78 1hg0B1 VAL 89 HA -0.04 0.20 1.11 -0.75 4.13 4.64 1hg0B1 VAL 89 HB -0.06 0.00 0.09 -0.04 2.12 2.11 1hg0B1 VAL 89 HG13 -0.12 -0.03 -0.20 -0.04 0.97 0.58 1hg0B1 VAL 89 HG23 -0.04 -0.01 -0.18 -0.04 0.95 0.68 1hg0B1 VAL 90 H -0.07 0.70 0.41 -0.55 8.24 8.73 1hg0B1 VAL 90 HA -0.09 0.31 0.98 -0.75 4.13 4.57 1hg0B1 VAL 90 HB -0.05 -0.03 0.05 -0.04 2.12 2.05 1hg0B1 VAL 90 HG13 -0.05 -0.03 -0.23 -0.04 0.97 0.62 1hg0B1 VAL 90 HG23 -0.03 0.01 -0.30 -0.04 0.95 0.59 1hg0B1 ILE 91 H -0.24 0.75 0.33 -0.55 8.25 8.53 1hg0B1 ILE 91 HA -0.18 0.32 1.19 -0.75 4.18 4.76 1hg0B1 ILE 91 HB -1.13 -0.08 0.08 -0.04 1.89 0.72 1hg0B1 ILE 91 HG12 -0.31 0.03 -0.13 -0.04 1.49 1.04 1hg0B1 ILE 91 HG13 -0.39 -0.02 -0.41 -0.04 1.21 0.34 1hg0B1 ILE 91 HG23 -0.30 0.01 -0.15 -0.04 0.93 0.44 1hg0B1 ILE 91 HD13 -0.60 -0.00 -0.14 -0.04 0.88 0.10 1hg0B1 THR 92 H -0.05 0.38 0.24 -0.55 8.28 8.30 1hg0B1 THR 92 HA 0.02 0.23 0.77 -0.75 4.39 4.66 1hg0B1 THR 92 HB 0.02 -0.03 0.05 -0.04 4.32 4.32 1hg0B1 THR 92 HG23 -0.01 0.02 -0.09 -0.04 1.22 1.10 1hg0B1 HIS 93 H 0.14 0.55 0.46 -0.55 8.41 9.01 1hg0B1 HIS 93 HA 0.07 0.01 0.61 -0.75 4.63 4.57 1hg0B1 HIS 93 HB2 0.19 0.12 -0.42 -0.04 3.26 3.11 1hg0B1 HIS 93 HB3 0.20 0.03 -0.08 -0.04 3.20 3.30 1hg0B1 HIS 93 HD2 0.19 0.09 -0.09 -0.04 6.97 7.12 1hg0B1 HIS 93 HE1 0.05 -0.14 -0.40 -0.04 7.75 7.22 1hg0B1 GLY 94 H -0.30 0.15 0.04 -0.55 8.43 7.76 1hg0B1 GLY 94 HA2 0.09 -0.08 0.70 -0.51 4.01 4.21 1hg0B1 GLY 94 HA3 0.05 -0.16 0.46 -0.51 4.01 3.84 1hg0B1 THR 95 H 0.16 0.11 0.26 -0.55 8.28 8.26 1hg0B1 THR 95 HA 0.29 0.20 0.48 -0.75 4.39 4.61 1hg0B1 THR 95 HB 0.46 0.08 -0.00 -0.04 4.32 4.82 1hg0B1 THR 95 HG23 0.23 0.00 -0.09 -0.04 1.22 1.32 1hg0B1 ASP 96 H 0.14 -0.06 -0.06 -0.55 8.40 7.87 1hg0B1 ASP 96 HA 0.08 0.18 0.31 -0.75 4.63 4.45 1hg0B1 ASP 96 HB2 0.08 -0.20 -0.00 -0.04 2.71 2.54 1hg0B1 ASP 96 HB3 0.05 0.15 -0.03 -0.04 2.70 2.83 1hg0B1 THR 97 H 0.19 -0.01 -0.32 -0.55 8.28 7.59 1hg0B1 THR 97 HA 0.06 0.32 1.00 -0.75 4.39 5.02 1hg0B1 THR 97 HB 0.06 0.02 0.13 -0.04 4.32 4.48 1hg0B1 THR 97 HG23 0.05 0.01 -0.26 -0.04 1.22 0.98 1hg0B1 VAL 98 H 0.16 0.31 -0.29 -0.55 8.24 7.87 1hg0B1 VAL 98 HA -0.67 0.04 0.38 -0.75 4.13 3.12 1hg0B1 VAL 98 HB 0.13 0.29 0.03 -0.04 2.12 2.53 1hg0B1 VAL 98 HG13 -0.03 0.05 -0.16 -0.04 0.97 0.79 1hg0B1 VAL 98 HG23 -0.32 0.00 -0.13 -0.04 0.95 0.46 1hg0B1 GLU 99 H 0.01 0.15 -0.29 -0.55 8.60 7.92 1hg0B1 GLU 99 HA -0.16 0.12 0.27 -0.75 4.29 3.76 1hg0B1 GLU 99 HB2 -0.10 0.28 0.02 -0.04 2.09 2.25 1hg0B1 GLU 99 HB3 0.12 -0.07 -0.03 -0.04 1.99 1.97 1hg0B1 GLU 99 HG2 -0.01 -0.12 -0.06 -0.04 2.34 2.11 1hg0B1 GLU 99 HG3 -0.19 0.03 -0.28 -0.04 2.34 1.87 1hg0B1 GLU 100 H -0.12 0.16 -0.54 -0.55 8.60 7.56 1hg0B1 GLU 100 HA -0.13 0.16 0.50 -0.75 4.29 4.06 1hg0B1 GLU 100 HB2 -0.03 0.11 0.11 -0.04 2.09 2.23 1hg0B1 GLU 100 HB3 -0.02 0.03 -0.06 -0.04 1.99 1.90 1hg0B1 GLU 100 HG2 -0.04 0.15 -0.06 -0.04 2.34 2.35 1hg0B1 GLU 100 HG3 -0.10 -0.11 -0.14 -0.04 2.34 1.95 1hg0B1 SER 101 H -0.17 0.35 -0.01 -0.55 8.46 8.09 1hg0B1 SER 101 HA -0.06 0.05 0.35 -0.75 4.49 4.08 1hg0B1 SER 101 HB2 -0.49 0.01 0.09 -0.04 3.95 3.53 1hg0B1 SER 101 HB3 0.02 0.02 -0.05 -0.04 3.93 3.88 1hg0B1 ALA 102 H -0.60 0.76 -0.13 -0.55 8.40 7.89 1hg0B1 ALA 102 HA -1.07 0.02 0.32 -0.75 4.34 2.87 1hg0B1 ALA 102 HB3 -0.72 -0.00 -0.04 -0.04 1.41 0.60 1hg0B1 TYR 103 H -0.08 0.37 -0.40 -0.55 8.29 7.63 1hg0B1 TYR 103 HA -0.07 -0.02 0.36 -0.75 4.56 4.07 1hg0B1 TYR 103 HB2 -0.13 0.24 0.12 -0.04 3.06 3.26 1hg0B1 TYR 103 HB3 -0.14 0.03 0.11 -0.04 2.98 2.94 1hg0B1 TYR 103 HD2 -0.06 -0.06 -0.05 -0.04 7.15 6.94 1hg0B1 TYR 103 HE2 0.03 0.01 -0.04 -0.04 6.85 6.81 1hg0B1 PHE 104 H 0.09 0.43 -0.30 -0.55 8.34 8.00 1hg0B1 PHE 104 HA -0.26 0.05 0.34 -0.75 4.62 4.00 1hg0B1 PHE 104 HB2 -0.09 0.05 0.07 -0.04 3.15 3.14 1hg0B1 PHE 104 HB3 -0.06 0.09 0.08 -0.04 3.06 3.12 1hg0B1 PHE 104 HD2 -0.07 0.00 -0.22 -0.04 7.28 6.94 1hg0B1 PHE 104 HE2 -0.05 0.02 -0.12 -0.04 7.38 7.19 1hg0B1 PHE 104 HZ -0.04 0.04 -0.12 -0.04 7.32 7.16 1hg0B1 LEU 105 H 0.14 0.48 -0.16 -0.55 8.37 8.29 1hg0B1 LEU 105 HA 0.12 0.04 0.43 -0.75 4.35 4.19 1hg0B1 LEU 105 HB2 0.26 0.09 0.09 -0.04 1.64 2.04 1hg0B1 LEU 105 HB3 0.18 0.00 -0.02 -0.04 1.64 1.75 1hg0B1 LEU 105 HG 0.15 -0.02 -0.03 -0.04 1.64 1.70 1hg0B1 LEU 105 HD13 0.24 -0.01 -0.09 -0.04 0.93 1.03 1hg0B1 LEU 105 HD23 0.14 -0.00 -0.13 -0.04 0.89 0.86 1hg0B1 HIS 106 H 0.10 0.40 -0.32 -0.55 8.41 8.04 1hg0B1 HIS 106 HA 0.01 -0.08 0.50 -0.75 4.63 4.31 1hg0B1 HIS 106 HB2 0.03 0.06 0.18 -0.04 3.26 3.50 1hg0B1 HIS 106 HB3 -0.07 0.29 0.16 -0.04 3.20 3.55 1hg0B1 HIS 106 HD2 0.23 0.07 -0.06 -0.04 6.97 7.17 1hg0B1 HIS 106 HE1 -0.30 0.13 0.10 -0.04 7.75 7.63 1hg0B1 LEU 107 H -0.21 0.37 -0.43 -0.55 8.37 7.55 1hg0B1 LEU 107 HA -0.13 0.05 0.78 -0.75 4.35 4.30 1hg0B1 LEU 107 HB2 -0.63 0.11 0.02 -0.04 1.64 1.10 1hg0B1 LEU 107 HB3 -0.52 -0.07 0.06 -0.04 1.64 1.07 1hg0B1 LEU 107 HG -0.73 0.18 -0.00 -0.04 1.64 1.04 1hg0B1 LEU 107 HD13 -1.08 -0.03 -0.09 -0.04 0.93 -0.31 1hg0B1 LEU 107 HD23 -0.18 -0.02 -0.06 -0.04 0.89 0.58 1hg0B1 THR 108 H -0.13 0.14 -0.16 -0.55 8.28 7.58 1hg0B1 THR 108 HA -0.07 0.44 1.09 -0.75 4.39 5.10 1hg0B1 THR 108 HB -0.05 -0.14 0.03 -0.04 4.32 4.13 1hg0B1 THR 108 HG23 -0.45 0.01 -0.25 -0.04 1.22 0.48 1hg0B1 VAL 109 H -0.01 0.51 0.12 -0.55 8.24 8.31 1hg0B1 VAL 109 HA 0.02 0.05 0.64 -0.75 4.13 4.08 1hg0B1 VAL 109 HB 0.03 0.04 0.18 -0.04 2.12 2.33 1hg0B1 VAL 109 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.73 1hg0B1 VAL 109 HG23 0.05 -0.02 0.02 -0.04 0.95 0.96 1hg0B1 LYS 110 H 0.01 0.16 0.09 -0.55 8.42 8.12 1hg0B1 LYS 110 HA -0.00 0.15 0.46 -0.75 4.32 4.18 1hg0B1 LYS 110 HB2 0.00 -0.05 0.20 -0.04 1.87 1.99 1hg0B1 LYS 110 HB3 -0.01 0.00 0.10 -0.04 1.79 1.84 1hg0B1 LYS 110 HG2 -0.00 0.08 -0.01 -0.04 1.46 1.49 1hg0B1 LYS 110 HG3 -0.01 -0.06 0.00 -0.04 1.46 1.36 1hg0B1 LYS 110 HD2 -0.02 -0.00 -0.10 -0.04 1.69 1.53 1hg0B1 LYS 110 HD3 -0.01 0.02 -0.50 -0.04 1.68 1.15 1hg0B1 LYS 110 HE2 -0.03 0.11 -0.18 -0.04 2.99 2.85 1hg0B1 LYS 110 HE3 -0.02 0.06 -0.04 -0.04 2.99 2.95 1hg0B1 SER 111 H 0.01 0.46 -0.10 -0.55 8.46 8.29 1hg0B1 SER 111 HA 0.01 0.10 0.54 -0.75 4.49 4.37 1hg0B1 SER 111 HB2 0.01 0.19 -0.19 -0.04 3.95 3.91 1hg0B1 SER 111 HB3 0.01 -0.02 -0.21 -0.04 3.93 3.67 1hg0B1 ASP 112 H 0.01 0.20 0.17 -0.55 8.40 8.23 1hg0B1 ASP 112 HA 0.03 0.08 0.75 -0.75 4.63 4.74 1hg0B1 ASP 112 HB2 0.01 0.07 0.09 -0.04 2.71 2.83 1hg0B1 ASP 112 HB3 0.01 -0.03 0.15 -0.04 2.70 2.79 1hg0B1 LYS 113 H 0.01 -0.01 -0.08 -0.55 8.42 7.79 1hg0B1 LYS 113 HA 0.01 0.14 0.52 -0.75 4.32 4.23 1hg0B1 LYS 113 HB2 0.00 -0.12 -0.03 -0.04 1.87 1.69 1hg0B1 LYS 113 HB3 0.00 0.24 -0.06 -0.04 1.79 1.94 1hg0B1 LYS 113 HG2 0.00 0.06 0.10 -0.04 1.46 1.58 1hg0B1 LYS 113 HG3 0.00 -0.22 0.09 -0.04 1.46 1.29 1hg0B1 LYS 113 HD2 0.00 -0.02 0.08 -0.04 1.69 1.71 1hg0B1 LYS 113 HD3 0.00 0.11 -0.01 -0.04 1.68 1.74 1hg0B1 LYS 113 HE2 0.00 -0.11 0.10 -0.04 2.99 2.94 1hg0B1 LYS 113 HE3 0.00 -0.16 0.08 -0.04 2.99 2.87 1hg0B1 PRO 114 HA 0.02 0.00 0.44 -0.51 4.44 4.39 1hg0B1 PRO 114 HB2 0.02 -0.02 0.17 -0.04 2.28 2.41 1hg0B1 PRO 114 HB3 0.03 -0.03 -0.03 -0.04 2.02 1.96 1hg0B1 PRO 114 HG2 0.02 0.26 0.03 -0.04 2.03 2.30 1hg0B1 PRO 114 HG3 0.02 0.03 -0.31 -0.04 2.03 1.72 1hg0B1 PRO 114 HD2 0.01 0.41 0.38 -0.04 3.68 4.43 1hg0B1 PRO 114 HD3 0.01 0.04 0.29 -0.04 3.65 3.94 1hg0B1 VAL 115 H 0.04 0.24 0.14 -0.55 8.24 8.11 1hg0B1 VAL 115 HA -0.02 0.17 0.88 -0.75 4.13 4.40 1hg0B1 VAL 115 HB 0.08 -0.06 0.16 -0.04 2.12 2.25 1hg0B1 VAL 115 HG13 0.05 -0.03 -0.14 -0.04 0.97 0.80 1hg0B1 VAL 115 HG23 0.02 0.06 -0.15 -0.04 0.95 0.83 1hg0B1 VAL 116 H -0.04 0.78 0.27 -0.55 8.24 8.69 1hg0B1 VAL 116 HA 0.08 0.23 1.14 -0.75 4.13 4.83 1hg0B1 VAL 116 HB -0.01 0.02 0.13 -0.04 2.12 2.21 1hg0B1 VAL 116 HG13 0.02 -0.03 -0.21 -0.04 0.97 0.71 1hg0B1 VAL 116 HG23 0.03 0.01 -0.24 -0.04 0.95 0.70 1hg0B1 PHE 117 H 0.26 0.82 0.43 -0.55 8.34 9.30 1hg0B1 PHE 117 HA -0.04 0.17 0.88 -0.75 4.62 4.88 1hg0B1 PHE 117 HB2 -0.10 0.06 0.19 -0.04 3.15 3.26 1hg0B1 PHE 117 HB3 -0.12 -0.07 -0.04 -0.04 3.06 2.79 1hg0B1 PHE 117 HD2 -0.11 0.04 -0.08 -0.04 7.28 7.09 1hg0B1 PHE 117 HE2 -0.10 -0.01 -0.13 -0.04 7.38 7.10 1hg0B1 PHE 117 HZ -0.07 0.04 -0.23 -0.04 7.32 7.02 1hg0B1 VAL 118 H 0.03 0.71 0.41 -0.55 8.24 8.84 1hg0B1 VAL 118 HA -0.01 0.30 0.96 -0.75 4.13 4.62 1hg0B1 VAL 118 HB -0.01 0.04 -0.16 -0.04 2.12 1.95 1hg0B1 VAL 118 HG13 -0.01 -0.02 -0.17 -0.04 0.97 0.73 1hg0B1 VAL 118 HG23 -0.01 0.05 -0.12 -0.04 0.95 0.83 1hg0B1 ALA 119 H -0.02 0.39 0.26 -0.55 8.40 8.48 1hg0B1 ALA 119 HA 0.05 0.07 0.72 -0.75 4.34 4.43 1hg0B1 ALA 119 HB3 0.06 -0.03 -0.07 -0.04 1.41 1.33 1hg0B1 ALA 120 H 0.06 0.12 0.21 -0.55 8.40 8.25 1hg0B1 ALA 120 HA 0.04 0.16 0.78 -0.75 4.34 4.56 1hg0B1 ALA 120 HB3 -0.01 0.00 -0.02 -0.04 1.41 1.33 1hg0B1 MET 121 H 0.04 0.16 0.17 -0.55 8.47 8.30 1hg0B1 MET 121 HA 0.07 0.08 0.69 -0.75 4.52 4.60 1hg0B1 MET 121 HB2 0.05 -0.05 0.09 -0.04 2.15 2.20 1hg0B1 MET 121 HB3 0.04 0.13 -0.10 -0.04 2.03 2.06 1hg0B1 MET 121 HG2 0.16 -0.10 -0.04 -0.04 2.63 2.61 1hg0B1 MET 121 HG3 0.07 0.26 0.01 -0.04 2.56 2.86 1hg0B1 MET 121 HE3 0.02 0.05 -0.24 -0.04 2.10 1.89 1hg0B1 ARG 122 H -0.03 -0.09 0.01 -0.55 8.46 7.80 1hg0B1 ARG 122 HA -0.11 0.34 0.92 -0.75 4.34 4.74 1hg0B1 ARG 122 HB2 -0.04 -0.31 0.14 -0.04 1.90 1.65 1hg0B1 ARG 122 HB3 -0.06 0.19 0.02 -0.04 1.80 1.91 1hg0B1 ARG 122 HG2 -0.01 0.09 0.00 -0.04 1.67 1.72 1hg0B1 ARG 122 HG3 -0.00 -0.16 -0.15 -0.04 1.67 1.32 1hg0B1 ARG 122 HD2 -0.01 0.04 0.02 -0.04 3.22 3.23 1hg0B1 ARG 122 HD3 -0.01 0.16 -0.12 -0.04 3.22 3.21 1hg0B1 PRO 123 HA -0.28 0.24 0.50 -0.51 4.44 4.38 1hg0B1 PRO 123 HB2 -0.17 -0.04 -0.23 -0.04 2.28 1.80 1hg0B1 PRO 123 HB3 -0.74 -0.09 -0.18 -0.04 2.02 0.96 1hg0B1 PRO 123 HG2 -0.11 0.10 0.03 -0.04 2.03 2.00 1hg0B1 PRO 123 HG3 -0.14 0.02 -0.17 -0.04 2.03 1.69 1hg0B1 PRO 123 HD2 -0.14 0.14 0.28 -0.04 3.68 3.91 1hg0B1 PRO 123 HD3 -0.61 0.18 0.06 -0.04 3.65 3.24 1hg0B1 ALA 124 H -0.09 0.41 0.21 -0.55 8.40 8.39 1hg0B1 ALA 124 HA -0.04 -0.02 0.38 -0.75 4.34 3.90 1hg0B1 ALA 124 HB3 -0.03 0.06 0.07 -0.04 1.41 1.48 1hg0B1 THR 125 H -0.05 0.02 -0.38 -0.55 8.28 7.32 1hg0B1 THR 125 HA -0.01 0.20 0.62 -0.75 4.39 4.44 1hg0B1 THR 125 HB 0.00 0.07 -0.00 -0.04 4.32 4.34 1hg0B1 THR 125 HG23 -0.00 0.04 -0.01 -0.04 1.22 1.20 1hg0B1 ALA 126 H -0.04 0.48 -0.36 -0.55 8.40 7.93 1hg0B1 ALA 126 HA -0.01 0.08 0.84 -0.75 4.34 4.49 1hg0B1 ALA 126 HB3 -0.03 0.03 0.00 -0.04 1.41 1.37 1hg0B1 ILE 127 H -0.00 0.55 0.23 -0.55 8.25 8.47 1hg0B1 ILE 127 HA -0.01 0.01 0.47 -0.75 4.18 3.90 1hg0B1 ILE 127 HB 0.00 0.05 0.07 -0.04 1.89 1.97 1hg0B1 ILE 127 HG12 -0.00 0.03 0.03 -0.04 1.49 1.50 1hg0B1 ILE 127 HG13 0.00 -0.09 0.01 -0.04 1.21 1.08 1hg0B1 ILE 127 HG23 -0.00 -0.00 -0.13 -0.04 0.93 0.76 1hg0B1 ILE 127 HD13 0.00 -0.00 -0.07 -0.04 0.88 0.77 1hg0B1 SER 128 H -0.01 0.11 0.19 -0.55 8.46 8.21 1hg0B1 SER 128 HA -0.01 0.02 0.33 -0.75 4.49 4.09 1hg0B1 SER 128 HB2 -0.00 0.22 -0.10 -0.04 3.95 4.03 1hg0B1 SER 128 HB3 -0.00 -0.05 0.19 -0.04 3.93 4.02 1hg0B1 ALA 129 H -0.01 0.20 -0.09 -0.55 8.40 7.95 1hg0B1 ALA 129 HA -0.02 0.00 0.35 -0.75 4.34 3.91 1hg0B1 ALA 129 HB3 -0.03 0.03 0.00 -0.04 1.41 1.38 1hg0B1 ASP 130 H -0.02 0.04 0.20 -0.55 8.40 8.08 1hg0B1 ASP 130 HA -0.01 0.23 0.75 -0.75 4.63 4.85 1hg0B1 ASP 130 HB2 0.01 -0.04 0.20 -0.04 2.71 2.84 1hg0B1 ASP 130 HB3 0.00 0.13 0.14 -0.04 2.70 2.93 1hg0B1 GLY 131 H -0.02 0.13 -0.06 -0.55 8.43 7.93 1hg0B1 GLY 131 HA2 -0.01 0.03 0.35 -0.51 4.01 3.88 1hg0B1 GLY 131 HA3 -0.02 0.14 0.30 -0.51 4.01 3.93 1hg0B1 PRO 132 HA -0.01 0.09 0.39 -0.51 4.44 4.40 1hg0B1 PRO 132 HB2 -0.01 -0.01 0.04 -0.04 2.28 2.26 1hg0B1 PRO 132 HB3 -0.01 0.10 0.03 -0.04 2.02 2.10 1hg0B1 PRO 132 HG2 -0.01 0.11 0.03 -0.04 2.03 2.12 1hg0B1 PRO 132 HG3 -0.01 0.09 0.03 -0.04 2.03 2.09 1hg0B1 PRO 132 HD2 -0.01 0.19 -0.27 -0.04 3.68 3.54 1hg0B1 PRO 132 HD3 -0.02 0.07 0.05 -0.04 3.65 3.71 1hg0B1 MET 133 H -0.01 0.21 -0.18 -0.55 8.47 7.95 1hg0B1 MET 133 HA -0.01 0.08 0.45 -0.75 4.52 4.29 1hg0B1 MET 133 HB2 -0.01 0.04 0.09 -0.04 2.15 2.23 1hg0B1 MET 133 HB3 -0.01 0.04 0.10 -0.04 2.03 2.11 1hg0B1 MET 133 HG2 -0.01 0.02 0.00 -0.04 2.63 2.60 1hg0B1 MET 133 HG3 -0.01 -0.06 -0.11 -0.04 2.56 2.34 1hg0B1 MET 133 HE3 -0.01 0.01 -0.00 -0.04 2.10 2.06 1hg0B1 ASN 134 H -0.01 0.50 -0.09 -0.55 8.53 8.39 1hg0B1 ASN 134 HA -0.02 -0.07 0.45 -0.75 4.76 4.36 1hg0B1 ASN 134 HB2 -0.01 0.11 0.26 -0.04 2.88 3.21 1hg0B1 ASN 134 HB3 -0.01 0.04 0.15 -0.04 2.79 2.93 1hg0B1 ASN 134 HD21 0.02 -0.17 0.14 -0.04 7.03 6.97 1hg0B1 ASN 134 HD22 0.01 0.23 0.24 -0.04 7.74 8.18 1hg0B1 LEU 135 H -0.01 0.69 -0.04 -0.55 8.37 8.46 1hg0B1 LEU 135 HA -0.01 -0.01 0.35 -0.75 4.35 3.93 1hg0B1 LEU 135 HB2 -0.01 -0.05 0.02 -0.04 1.64 1.56 1hg0B1 LEU 135 HB3 -0.01 0.15 0.10 -0.04 1.64 1.83 1hg0B1 LEU 135 HG -0.01 0.03 -0.26 -0.04 1.64 1.35 1hg0B1 LEU 135 HD13 -0.02 -0.03 -0.08 -0.04 0.93 0.77 1hg0B1 LEU 135 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1hg0B1 LEU 136 H -0.01 0.50 -0.16 -0.55 8.37 8.15 1hg0B1 LEU 136 HA -0.01 0.04 0.38 -0.75 4.35 4.00 1hg0B1 LEU 136 HB2 -0.01 0.11 0.13 -0.04 1.64 1.82 1hg0B1 LEU 136 HB3 -0.01 0.05 0.11 -0.04 1.64 1.75 1hg0B1 LEU 136 HG -0.01 0.00 -0.14 -0.04 1.64 1.45 1hg0B1 LEU 136 HD13 -0.01 0.00 -0.11 -0.04 0.93 0.78 1hg0B1 LEU 136 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 1hg0B1 GLU 137 H -0.02 0.53 -0.22 -0.55 8.60 8.35 1hg0B1 GLU 137 HA -0.02 0.04 0.40 -0.75 4.29 3.95 1hg0B1 GLU 137 HB2 -0.02 0.10 0.09 -0.04 2.09 2.21 1hg0B1 GLU 137 HB3 -0.03 -0.05 -0.08 -0.04 1.99 1.79 1hg0B1 GLU 137 HG2 -0.02 -0.04 -0.04 -0.04 2.34 2.20 1hg0B1 GLU 137 HG3 -0.02 0.20 0.07 -0.04 2.34 2.55 1hg0B1 ALA 138 H -0.02 0.49 -0.22 -0.55 8.40 8.11 1hg0B1 ALA 138 HA -0.01 0.00 0.32 -0.75 4.34 3.90 1hg0B1 ALA 138 HB3 -0.02 0.03 -0.01 -0.04 1.41 1.37 1hg0B1 VAL 139 H -0.01 0.51 -0.25 -0.55 8.24 7.94 1hg0B1 VAL 139 HA -0.01 0.03 0.29 -0.75 4.13 3.69 1hg0B1 VAL 139 HB -0.01 0.10 0.07 -0.04 2.12 2.24 1hg0B1 VAL 139 HG13 -0.01 0.02 -0.25 -0.04 0.97 0.69 1hg0B1 VAL 139 HG23 -0.01 0.00 -0.08 -0.04 0.95 0.81 1hg0B1 ARG 140 H -0.01 0.36 -0.28 -0.55 8.46 7.97 1hg0B1 ARG 140 HA -0.01 0.10 0.33 -0.75 4.34 4.02 1hg0B1 ARG 140 HB2 -0.02 0.03 0.04 -0.04 1.90 1.91 1hg0B1 ARG 140 HB3 -0.02 0.02 0.04 -0.04 1.80 1.80 1hg0B1 ARG 140 HG2 -0.02 -0.02 -0.27 -0.04 1.67 1.32 1hg0B1 ARG 140 HG3 -0.02 0.04 -0.03 -0.04 1.67 1.63 1hg0B1 ARG 140 HD2 -0.03 -0.08 -0.24 -0.04 3.22 2.82 1hg0B1 ARG 140 HD3 -0.04 0.03 -0.24 -0.04 3.22 2.93 1hg0B1 VAL 141 H -0.01 0.51 -0.29 -0.55 8.24 7.90 1hg0B1 VAL 141 HA 0.02 -0.01 0.32 -0.75 4.13 3.71 1hg0B1 VAL 141 HB 0.01 0.06 0.06 -0.04 2.12 2.22 1hg0B1 VAL 141 HG13 0.10 -0.01 -0.24 -0.04 0.97 0.77 1hg0B1 VAL 141 HG23 -0.03 0.03 -0.12 -0.04 0.95 0.78 1hg0B1 ALA 142 H 0.01 0.58 -0.17 -0.55 8.40 8.27 1hg0B1 ALA 142 HA 0.03 0.01 0.26 -0.75 4.34 3.88 1hg0B1 ALA 142 HB3 -0.00 -0.03 -0.11 -0.04 1.41 1.23 1hg0B1 GLY 143 H 0.01 0.39 -0.48 -0.55 8.43 7.80 1hg0B1 GLY 143 HA2 0.01 0.05 0.44 -0.51 4.01 4.00 1hg0B1 GLY 143 HA3 0.00 0.03 0.21 -0.51 4.01 3.74 1hg0B1 ASP 144 H 0.03 0.36 -0.36 -0.55 8.40 7.88 1hg0B1 ASP 144 HA 0.02 0.05 0.66 -0.75 4.63 4.60 1hg0B1 ASP 144 HB2 0.03 0.20 0.12 -0.04 2.71 3.01 1hg0B1 ASP 144 HB3 0.09 0.01 0.09 -0.04 2.70 2.84 1hg0B1 LYS 145 H 0.02 0.00 0.21 -0.55 8.42 8.09 1hg0B1 LYS 145 HA 0.01 0.18 0.46 -0.75 4.32 4.22 1hg0B1 LYS 145 HB2 0.01 0.01 0.07 -0.04 1.87 1.91 1hg0B1 LYS 145 HB3 0.01 0.08 0.14 -0.04 1.79 1.97 1hg0B1 LYS 145 HG2 0.02 -0.04 0.02 -0.04 1.46 1.42 1hg0B1 LYS 145 HG3 0.01 0.01 0.04 -0.04 1.46 1.48 1hg0B1 LYS 145 HD2 0.01 0.09 0.12 -0.04 1.69 1.87 1hg0B1 LYS 145 HD3 0.02 0.00 0.33 -0.04 1.68 1.98 1hg0B1 LYS 145 HE2 0.01 -0.06 0.08 -0.04 2.99 2.98 1hg0B1 LYS 145 HE3 0.00 0.01 0.05 -0.04 2.99 3.02 1hg0B1 GLN 146 H 0.05 0.04 -0.15 -0.55 8.47 7.87 1hg0B1 GLN 146 HA -0.00 0.09 0.40 -0.75 4.36 4.10 1hg0B1 GLN 146 HB2 0.22 -0.00 -0.07 -0.04 2.15 2.26 1hg0B1 GLN 146 HB3 0.08 0.03 0.06 -0.04 2.02 2.15 1hg0B1 GLN 146 HG2 0.04 0.02 0.03 -0.04 2.40 2.45 1hg0B1 GLN 146 HG3 0.05 -0.07 0.06 -0.04 2.39 2.39 1hg0B1 GLN 146 HE21 -0.00 0.06 0.05 -0.04 6.97 7.03 1hg0B1 GLN 146 HE22 0.03 -0.03 0.03 -0.04 7.69 7.68 1hg0B1 SER 147 H 0.06 0.29 -0.65 -0.55 8.46 7.62 1hg0B1 SER 147 HA -0.10 0.05 0.49 -0.75 4.49 4.18 1hg0B1 SER 147 HB2 0.06 0.31 0.04 -0.04 3.95 4.33 1hg0B1 SER 147 HB3 0.09 -0.16 0.01 -0.04 3.93 3.83 1hg0B1 ARG 148 H -0.01 0.27 -0.28 -0.55 8.46 7.89 1hg0B1 ARG 148 HA -0.00 0.14 0.51 -0.75 4.34 4.24 1hg0B1 ARG 148 HB2 -0.01 0.02 0.08 -0.04 1.90 1.95 1hg0B1 ARG 148 HB3 -0.00 -0.08 0.04 -0.04 1.80 1.72 1hg0B1 ARG 148 HG2 0.00 0.03 0.08 -0.04 1.67 1.74 1hg0B1 ARG 148 HG3 0.00 0.05 0.12 -0.04 1.67 1.81 1hg0B1 ARG 148 HD2 0.00 0.00 0.05 -0.04 3.22 3.23 1hg0B1 ARG 148 HD3 -0.00 -0.02 0.05 -0.04 3.22 3.21 1hg0B1 GLY 149 H 0.01 0.59 0.33 -0.55 8.43 8.82 1hg0B1 GLY 149 HA2 0.07 -0.07 0.41 -0.51 4.01 3.91 1hg0B1 GLY 149 HA3 0.03 0.02 0.38 -0.51 4.01 3.92 1hg0B1 ARG 150 H -0.02 0.24 -0.12 -0.55 8.46 8.01 1hg0B1 ARG 150 HA -0.01 0.19 0.95 -0.75 4.34 4.71 1hg0B1 ARG 150 HB2 -0.06 0.12 -0.00 -0.04 1.90 1.92 1hg0B1 ARG 150 HB3 -0.06 -0.15 0.12 -0.04 1.80 1.66 1hg0B1 ARG 150 HG2 -0.16 -0.06 -0.02 -0.04 1.67 1.38 1hg0B1 ARG 150 HG3 -0.16 0.28 -0.34 -0.04 1.67 1.41 1hg0B1 ARG 150 HD2 -0.42 -0.03 -0.02 -0.04 3.22 2.71 1hg0B1 ARG 150 HD3 -0.59 -0.13 -0.02 -0.04 3.22 2.44 1hg0B1 GLY 151 H -0.09 0.01 -0.07 -0.55 8.43 7.73 1hg0B1 GLY 151 HA2 -0.39 0.01 0.32 -0.51 4.01 3.44 1hg0B1 GLY 151 HA3 -0.43 0.12 0.66 -0.51 4.01 3.84 1hg0B1 VAL 152 H 0.45 0.05 0.22 -0.55 8.24 8.41 1hg0B1 VAL 152 HA 0.11 0.20 0.64 -0.75 4.13 4.33 1hg0B1 VAL 152 HB 0.20 -0.10 0.18 -0.04 2.12 2.36 1hg0B1 VAL 152 HG13 0.19 0.01 -0.08 -0.04 0.97 1.05 1hg0B1 VAL 152 HG23 0.15 -0.01 -0.10 -0.04 0.95 0.95 1hg0B1 MET 153 H 0.11 0.60 0.44 -0.55 8.47 9.07 1hg0B1 MET 153 HA 0.03 0.23 1.07 -0.75 4.52 5.09 1hg0B1 MET 153 HB2 0.07 -0.02 0.02 -0.04 2.15 2.18 1hg0B1 MET 153 HB3 0.07 -0.09 -0.05 -0.04 2.03 1.92 1hg0B1 MET 153 HG2 0.08 -0.04 -0.26 -0.04 2.63 2.37 1hg0B1 MET 153 HG3 0.05 0.20 -0.40 -0.04 2.56 2.38 1hg0B1 MET 153 HE3 0.06 0.05 -0.06 -0.04 2.10 2.11 1hg0B1 VAL 154 H 0.02 0.62 0.28 -0.55 8.24 8.62 1hg0B1 VAL 154 HA 0.02 0.23 0.99 -0.75 4.13 4.61 1hg0B1 VAL 154 HB -0.08 -0.03 0.02 -0.04 2.12 1.99 1hg0B1 VAL 154 HG13 -0.36 -0.02 -0.29 -0.04 0.97 0.25 1hg0B1 VAL 154 HG23 -0.15 -0.01 -0.27 -0.04 0.95 0.49 1hg0B1 VAL 155 H -0.01 0.75 0.29 -0.55 8.24 8.71 1hg0B1 VAL 155 HA -0.04 0.39 1.14 -0.75 4.13 4.86 1hg0B1 VAL 155 HB -0.01 -0.00 0.06 -0.04 2.12 2.13 1hg0B1 VAL 155 HG13 -0.03 -0.02 -0.33 -0.04 0.97 0.55 1hg0B1 VAL 155 HG23 0.00 0.01 -0.20 -0.04 0.95 0.71 1hg0B1 ILE 156 H -0.07 0.65 0.26 -0.55 8.25 8.54 1hg0B1 ILE 156 HA -0.03 -0.00 0.54 -0.75 4.18 3.93 1hg0B1 ILE 156 HB -0.09 0.11 0.00 -0.04 1.89 1.87 1hg0B1 ILE 156 HG12 0.07 0.10 -0.11 -0.04 1.49 1.51 1hg0B1 ILE 156 HG13 0.02 -0.05 0.17 -0.04 1.21 1.31 1hg0B1 ILE 156 HG23 -0.12 0.00 -0.23 -0.04 0.93 0.54 1hg0B1 ILE 156 HD13 0.18 -0.05 -0.12 -0.04 0.88 0.85 1hg0B1 ASN 157 H -0.01 0.13 0.19 -0.55 8.53 8.29 1hg0B1 ASN 157 HA -0.01 0.02 0.38 -0.75 4.76 4.39 1hg0B1 ASN 157 HB2 0.04 0.03 -0.04 -0.04 2.88 2.87 1hg0B1 ASN 157 HB3 -0.00 0.19 0.07 -0.04 2.79 3.00 1hg0B1 ASN 157 HD21 0.02 -0.03 -0.03 -0.04 7.03 6.95 1hg0B1 ASN 157 HD22 0.04 0.04 0.04 -0.04 7.74 7.81 1hg0B1 ASP 158 H -0.04 0.02 -0.14 -0.55 8.40 7.69 1hg0B1 ASP 158 HA -0.05 0.00 0.31 -0.75 4.63 4.13 1hg0B1 ASP 158 HB2 -0.07 0.21 0.12 -0.04 2.71 2.93 1hg0B1 ASP 158 HB3 -0.05 0.16 0.27 -0.04 2.70 3.04 1hg0B1 ARG 159 H -0.14 0.39 -0.54 -0.55 8.46 7.61 1hg0B1 ARG 159 HA -0.27 0.20 1.14 -0.75 4.34 4.67 1hg0B1 ARG 159 HB2 -0.46 0.01 0.03 -0.04 1.90 1.44 1hg0B1 ARG 159 HB3 -1.38 -0.02 0.05 -0.04 1.80 0.41 1hg0B1 ARG 159 HG2 -0.29 0.24 0.02 -0.04 1.67 1.60 1hg0B1 ARG 159 HG3 -0.78 -0.02 0.02 -0.04 1.67 0.84 1hg0B1 ARG 159 HD2 -0.52 0.02 0.01 -0.04 3.22 2.69 1hg0B1 ARG 159 HD3 -0.23 0.00 -0.24 -0.04 3.22 2.70 1hg0B1 ILE 160 H -0.10 0.70 0.30 -0.55 8.25 8.60 1hg0B1 ILE 160 HA 0.00 0.21 0.91 -0.75 4.18 4.54 1hg0B1 ILE 160 HB 0.05 -0.11 0.06 -0.04 1.89 1.85 1hg0B1 ILE 160 HG12 -0.04 0.02 -0.28 -0.04 1.49 1.15 1hg0B1 ILE 160 HG13 -0.09 -0.07 -0.45 -0.04 1.21 0.56 1hg0B1 ILE 160 HG23 0.13 0.01 -0.21 -0.04 0.93 0.82 1hg0B1 ILE 160 HD13 -0.24 0.01 -0.29 -0.04 0.88 0.32 1hg0B1 GLY 161 H 0.07 0.64 0.27 -0.55 8.43 8.87 1hg0B1 GLY 161 HA2 0.23 0.06 1.12 -0.51 4.01 4.92 1hg0B1 GLY 161 HA3 0.21 0.04 0.27 -0.51 4.01 4.01 1hg0B1 SER 162 H 0.10 0.18 0.19 -0.55 8.46 8.38 1hg0B1 SER 162 HA -0.04 0.32 0.68 -0.75 4.49 4.70 1hg0B1 SER 162 HB2 -0.00 0.14 0.12 -0.04 3.95 4.18 1hg0B1 SER 162 HB3 -0.03 -0.06 0.16 -0.04 3.93 3.97 1hg0B1 ALA 163 H -0.20 0.66 0.24 -0.55 8.40 8.55 1hg0B1 ALA 163 HA -0.09 0.00 0.24 -0.75 4.34 3.74 1hg0B1 ALA 163 HB3 -0.20 -0.01 -0.20 -0.04 1.41 0.96 1hg0B1 ARG 164 H -0.52 0.05 -0.35 -0.55 8.46 7.08 1hg0B1 ARG 164 HA -0.54 0.11 0.48 -0.75 4.34 3.63 1hg0B1 ARG 164 HB2 -0.20 0.02 0.03 -0.04 1.90 1.71 1hg0B1 ARG 164 HB3 -0.63 -0.06 0.01 -0.04 1.80 1.08 1hg0B1 ARG 164 HG2 -0.44 0.04 -0.12 -0.04 1.67 1.11 1hg0B1 ARG 164 HG3 -0.76 0.01 -0.37 -0.04 1.67 0.50 1hg0B1 ARG 164 HD2 -0.47 -0.05 0.06 -0.04 3.22 2.73 1hg0B1 ARG 164 HD3 0.06 -0.09 -0.02 -0.04 3.22 3.13 1hg0B1 TYR 165 H -0.24 0.10 -0.20 -0.55 8.29 7.40 1hg0B1 TYR 165 HA -0.27 0.25 0.95 -0.75 4.56 4.73 1hg0B1 TYR 165 HB2 -0.08 -0.01 0.03 -0.04 3.06 2.96 1hg0B1 TYR 165 HB3 -0.10 -0.11 0.02 -0.04 2.98 2.75 1hg0B1 TYR 165 HD2 -0.09 0.08 -0.10 -0.04 7.15 7.00 1hg0B1 TYR 165 HE2 -0.01 0.03 -0.08 -0.04 6.85 6.75 1hg0B1 ILE 166 H 0.03 0.58 0.04 -0.55 8.25 8.35 1hg0B1 ILE 166 HA 0.10 0.08 0.27 -0.75 4.18 3.88 1hg0B1 ILE 166 HB 0.09 0.02 -0.14 -0.04 1.89 1.82 1hg0B1 ILE 166 HG12 0.18 -0.02 -0.20 -0.04 1.49 1.41 1hg0B1 ILE 166 HG13 0.37 -0.07 -0.14 -0.04 1.21 1.33 1hg0B1 ILE 166 HG23 0.07 -0.02 -0.33 -0.04 0.93 0.62 1hg0B1 ILE 166 HD13 0.26 0.02 -0.39 -0.04 0.88 0.73 1hg0B1 THR 167 H 0.18 0.32 0.23 -0.55 8.28 8.47 1hg0B1 THR 167 HA 0.21 -0.01 0.51 -0.75 4.39 4.35 1hg0B1 THR 167 HB 0.15 0.15 -0.14 -0.04 4.32 4.44 1hg0B1 THR 167 HG23 0.02 0.04 -0.02 -0.04 1.22 1.21 1hg0B1 LYS 168 H -0.00 0.13 0.08 -0.55 8.42 8.08 1hg0B1 LYS 168 HA -0.81 0.01 0.43 -0.75 4.32 3.19 1hg0B1 LYS 168 HB2 -0.35 -0.01 0.06 -0.04 1.87 1.54 1hg0B1 LYS 168 HB3 -0.14 0.03 0.15 -0.04 1.79 1.79 1hg0B1 LYS 168 HG2 -0.23 0.09 -0.19 -0.04 1.46 1.08 1hg0B1 LYS 168 HG3 -0.64 -0.08 -0.05 -0.04 1.46 0.65 1hg0B1 LYS 168 HD2 -0.05 -0.01 -0.22 -0.04 1.69 1.37 1hg0B1 LYS 168 HD3 -0.06 0.01 -0.07 -0.04 1.68 1.52 1hg0B1 LYS 168 HE2 -0.06 0.13 0.01 -0.04 2.99 3.03 1hg0B1 LYS 168 HE3 -0.11 -0.01 -0.06 -0.04 2.99 2.76 1hg0B1 THR 169 H -0.20 0.57 0.27 -0.55 8.28 8.37 1hg0B1 THR 169 HA -0.06 0.19 0.81 -0.75 4.39 4.57 1hg0B1 THR 169 HB -0.04 -0.04 0.13 -0.04 4.32 4.33 1hg0B1 THR 169 HG23 -0.03 0.02 0.04 -0.04 1.22 1.21 1hg0B1 ASN 170 H -0.14 0.11 0.06 -0.55 8.53 8.00 1hg0B1 ASN 170 HA -0.04 0.23 0.92 -0.75 4.76 5.12 1hg0B1 ASN 170 HB2 -0.04 0.14 -0.10 -0.04 2.88 2.85 1hg0B1 ASN 170 HB3 -0.05 -0.10 0.04 -0.04 2.79 2.64 1hg0B1 ASN 170 HD21 -0.01 0.02 0.02 -0.04 7.03 7.02 1hg0B1 ASN 170 HD22 -0.02 0.11 -0.01 -0.04 7.74 7.79 1hg0B1 ALA 171 H -0.03 0.19 0.12 -0.55 8.40 8.14 1hg0B1 ALA 171 HA -0.04 0.13 0.45 -0.75 4.34 4.12 1hg0B1 ALA 171 HB3 -0.02 0.02 0.09 -0.04 1.41 1.46 1hg0B1 SER 172 H -0.01 -0.05 -0.11 -0.55 8.46 7.74 1hg0B1 SER 172 HA 0.02 0.30 1.04 -0.75 4.49 5.09 1hg0B1 SER 172 HB2 0.01 -0.01 -0.04 -0.04 3.95 3.87 1hg0B1 SER 172 HB3 0.02 0.04 0.11 -0.04 3.93 4.06 1hg0B1 THR 173 H -0.01 -0.01 -0.03 -0.55 8.28 7.67 1hg0B1 THR 173 HA 0.01 0.25 0.74 -0.75 4.39 4.64 1hg0B1 THR 173 HB 0.01 -0.06 0.07 -0.04 4.32 4.29 1hg0B1 THR 173 HG23 0.00 0.02 -0.04 -0.04 1.22 1.16 1hg0B1 LEU 174 H 0.02 0.21 0.16 -0.55 8.37 8.21 1hg0B1 LEU 174 HA 0.05 0.05 0.50 -0.75 4.35 4.20 1hg0B1 LEU 174 HB2 0.02 0.04 0.12 -0.04 1.64 1.78 1hg0B1 LEU 174 HB3 0.03 0.00 0.09 -0.04 1.64 1.72 1hg0B1 LEU 174 HG 0.02 0.04 0.09 -0.04 1.64 1.74 1hg0B1 LEU 174 HD13 0.01 0.04 0.05 -0.04 0.93 0.98 1hg0B1 LEU 174 HD23 0.02 -0.00 0.04 -0.04 0.89 0.91 1hg0B1 ASP 175 H 0.03 0.05 -0.20 -0.55 8.40 7.74 1hg0B1 ASP 175 HA 0.07 0.24 0.69 -0.75 4.63 4.88 1hg0B1 ASP 175 HB2 0.06 0.10 0.13 -0.04 2.71 2.96 1hg0B1 ASP 175 HB3 0.03 0.03 0.03 -0.04 2.70 2.75 1hg0B1 THR 176 H 0.02 0.26 -0.68 -0.55 8.28 7.34 1hg0B1 THR 176 HA -0.06 0.05 0.32 -0.75 4.39 3.95 1hg0B1 THR 176 HB -0.09 0.04 0.04 -0.04 4.32 4.26 1hg0B1 THR 176 HG23 -0.31 0.02 -0.06 -0.04 1.22 0.84 1hg0B1 PHE 177 H 0.18 0.10 -0.20 -0.55 8.34 7.86 1hg0B1 PHE 177 HA 0.07 0.24 0.63 -0.75 4.62 4.80 1hg0B1 PHE 177 HB2 0.08 0.02 0.02 -0.04 3.15 3.22 1hg0B1 PHE 177 HB3 0.11 0.04 -0.13 -0.04 3.06 3.04 1hg0B1 PHE 177 HD2 0.04 0.03 -0.22 -0.04 7.28 7.10 1hg0B1 PHE 177 HE2 0.03 -0.07 -0.15 -0.04 7.38 7.15 1hg0B1 PHE 177 HZ 0.04 0.06 0.00 -0.04 7.32 7.38 1hg0B1 ARG 178 H 0.09 0.50 0.43 -0.55 8.46 8.94 1hg0B1 ARG 178 HA 0.09 0.14 0.65 -0.75 4.34 4.47 1hg0B1 ARG 178 HB2 0.00 -0.00 -0.02 -0.04 1.90 1.84 1hg0B1 ARG 178 HB3 -0.05 -0.07 -0.05 -0.04 1.80 1.59 1hg0B1 ARG 178 HG2 0.19 0.03 -0.12 -0.04 1.67 1.74 1hg0B1 ARG 178 HG3 0.11 0.03 -0.77 -0.04 1.67 1.00 1hg0B1 ARG 178 HD2 0.01 -0.04 -0.08 -0.04 3.22 3.07 1hg0B1 ARG 178 HD3 0.02 -0.04 -0.07 -0.04 3.22 3.09 1hg0B1 ALA 179 H -0.30 0.24 -0.11 -0.55 8.40 7.68 1hg0B1 ALA 179 HA -0.07 0.28 0.73 -0.75 4.34 4.53 1hg0B1 ALA 179 HB3 -0.12 0.02 -0.09 -0.04 1.41 1.18 1hg0B1 ASN 180 H -0.08 0.25 -0.05 -0.55 8.53 8.11 1hg0B1 ASN 180 HA -0.09 0.06 0.32 -0.75 4.76 4.29 1hg0B1 ASN 180 HB2 -0.06 -0.03 0.10 -0.04 2.88 2.84 1hg0B1 ASN 180 HB3 -0.05 0.05 -0.00 -0.04 2.79 2.74 1hg0B1 ASN 180 HD21 -0.03 0.04 -0.02 -0.04 7.03 6.98 1hg0B1 ASN 180 HD22 -0.04 0.03 -0.02 -0.04 7.74 7.67 1hg0B1 GLU 181 H -0.11 0.05 -0.11 -0.55 8.60 7.88 1hg0B1 GLU 181 HA -0.09 0.19 0.67 -0.75 4.29 4.31 1hg0B1 GLU 181 HB2 -0.14 -0.01 0.06 -0.04 2.09 1.96 1hg0B1 GLU 181 HB3 -0.11 0.07 0.03 -0.04 1.99 1.93 1hg0B1 GLU 181 HG2 -0.07 -0.09 -0.04 -0.04 2.34 2.10 1hg0B1 GLU 181 HG3 -0.07 -0.05 0.01 -0.04 2.34 2.19 1hg0B1 GLU 182 H -0.21 -0.02 -0.20 -0.55 8.60 7.62 1hg0B1 GLU 182 HA -0.24 0.24 0.87 -0.75 4.29 4.41 1hg0B1 GLU 182 HB2 -0.44 0.00 -0.00 -0.04 2.09 1.61 1hg0B1 GLU 182 HB3 -0.75 0.02 0.07 -0.04 1.99 1.29 1hg0B1 GLU 182 HG2 -1.87 0.04 -0.05 -0.04 2.34 0.43 1hg0B1 GLU 182 HG3 -0.54 0.04 -0.20 -0.04 2.34 1.60 1hg0B1 GLY 183 H -0.19 0.42 -0.07 -0.55 8.43 8.05 1hg0B1 GLY 183 HA2 -0.28 -0.02 0.31 -0.51 4.01 3.51 1hg0B1 GLY 183 HA3 -0.10 0.11 0.33 -0.51 4.01 3.84 1hg0B1 TYR 184 H 0.01 0.11 0.15 -0.55 8.29 8.01 1hg0B1 TYR 184 HA 0.07 0.06 0.86 -0.75 4.56 4.79 1hg0B1 TYR 184 HB2 0.04 -0.01 0.09 -0.04 3.06 3.14 1hg0B1 TYR 184 HB3 0.05 0.19 0.23 -0.04 2.98 3.41 1hg0B1 TYR 184 HD2 0.04 0.00 -0.11 -0.04 7.15 7.04 1hg0B1 TYR 184 HE2 0.05 0.03 -0.09 -0.04 6.85 6.80 1hg0B1 LEU 185 H 0.23 0.42 0.42 -0.55 8.37 8.89 1hg0B1 LEU 185 HA 0.17 0.07 0.53 -0.75 4.35 4.37 1hg0B1 LEU 185 HB2 0.23 -0.01 -0.00 -0.04 1.64 1.82 1hg0B1 LEU 185 HB3 0.26 0.12 0.07 -0.04 1.64 2.05 1hg0B1 LEU 185 HG 0.14 -0.22 0.00 -0.04 1.64 1.52 1hg0B1 LEU 185 HD13 0.08 0.02 -0.11 -0.04 0.93 0.88 1hg0B1 LEU 185 HD23 0.12 0.03 -0.08 -0.04 0.89 0.92 1hg0B1 GLY 186 H 0.17 0.34 0.15 -0.55 8.43 8.54 1hg0B1 GLY 186 HA2 0.10 0.12 0.49 -0.51 4.01 4.20 1hg0B1 GLY 186 HA3 -0.03 0.07 0.46 -0.51 4.01 4.00 1hg0B1 VAL 187 H -0.01 0.59 0.35 -0.55 8.24 8.62 1hg0B1 VAL 187 HA -0.09 0.12 0.98 -0.75 4.13 4.39 1hg0B1 VAL 187 HB -0.06 0.09 0.08 -0.04 2.12 2.19 1hg0B1 VAL 187 HG13 -0.06 -0.03 -0.17 -0.04 0.97 0.67 1hg0B1 VAL 187 HG23 -0.02 0.00 -0.05 -0.04 0.95 0.84 1hg0B1 ILE 188 H -0.05 0.77 0.27 -0.55 8.25 8.68 1hg0B1 ILE 188 HA 0.02 0.34 0.98 -0.75 4.18 4.77 1hg0B1 ILE 188 HB -0.04 -0.10 0.10 -0.04 1.89 1.82 1hg0B1 ILE 188 HG12 -0.07 0.06 -0.21 -0.04 1.49 1.23 1hg0B1 ILE 188 HG13 -0.09 -0.03 -0.51 -0.04 1.21 0.54 1hg0B1 ILE 188 HG23 -0.02 -0.02 -0.26 -0.04 0.93 0.58 1hg0B1 ILE 188 HD13 -0.06 -0.01 -0.31 -0.04 0.88 0.46 1hg0B1 ILE 189 H 0.19 0.68 0.19 -0.55 8.25 8.76 1hg0B1 ILE 189 HA 0.02 0.09 0.92 -0.75 4.18 4.46 1hg0B1 ILE 189 HB 0.03 0.06 0.03 -0.04 1.89 1.98 1hg0B1 ILE 189 HG12 -0.03 -0.06 -0.48 -0.04 1.49 0.88 1hg0B1 ILE 189 HG13 -0.10 0.01 -0.09 -0.04 1.21 0.98 1hg0B1 ILE 189 HG23 -0.01 -0.00 -0.12 -0.04 0.93 0.75 1hg0B1 ILE 189 HD13 -0.03 0.06 0.06 -0.04 0.88 0.93 1hg0B1 GLY 190 H 0.02 0.14 0.11 -0.55 8.43 8.16 1hg0B1 GLY 190 HA2 0.02 0.02 0.32 -0.51 4.01 3.86 1hg0B1 GLY 190 HA3 0.04 0.11 0.39 -0.51 4.01 4.04 1hg0B1 ASN 191 H 0.01 0.01 -0.21 -0.55 8.53 7.79 1hg0B1 ASN 191 HA -0.01 -0.03 0.15 -0.75 4.76 4.12 1hg0B1 ASN 191 HB2 -0.00 0.22 -0.10 -0.04 2.88 2.95 1hg0B1 ASN 191 HB3 -0.01 0.03 0.14 -0.04 2.79 2.91 1hg0B1 ASN 191 HD21 -0.00 -0.03 -0.10 -0.04 7.03 6.86 1hg0B1 ASN 191 HD22 0.00 0.10 -0.23 -0.04 7.74 7.57 1hg0B1 ARG 192 H 0.02 0.15 -0.52 -0.55 8.46 7.56 1hg0B1 ARG 192 HA -0.10 0.16 0.81 -0.75 4.34 4.45 1hg0B1 ARG 192 HB2 -0.08 0.07 -0.11 -0.04 1.90 1.75 1hg0B1 ARG 192 HB3 -0.03 0.11 0.01 -0.04 1.80 1.85 1hg0B1 ARG 192 HG2 -0.91 0.01 -0.32 -0.04 1.67 0.41 1hg0B1 ARG 192 HG3 -0.29 -0.03 0.06 -0.04 1.67 1.36 1hg0B1 ARG 192 HD2 -0.13 -0.00 -0.01 -0.04 3.22 3.03 1hg0B1 ARG 192 HD3 -0.18 -0.03 -0.05 -0.04 3.22 2.93 1hg0B1 ILE 193 H -0.19 0.19 0.10 -0.55 8.25 7.80 1hg0B1 ILE 193 HA -0.13 0.16 0.82 -0.75 4.18 4.28 1hg0B1 ILE 193 HB -0.16 0.00 0.07 -0.04 1.89 1.76 1hg0B1 ILE 193 HG12 -0.13 -0.03 -0.21 -0.04 1.49 1.09 1hg0B1 ILE 193 HG13 -0.09 -0.05 -0.17 -0.04 1.21 0.85 1hg0B1 ILE 193 HG23 -0.57 -0.01 -0.27 -0.04 0.93 0.05 1hg0B1 ILE 193 HD13 -0.05 0.01 -0.20 -0.04 0.88 0.61 1hg0B1 TYR 194 H 0.01 0.73 0.31 -0.55 8.29 8.79 1hg0B1 TYR 194 HA -0.03 0.18 0.93 -0.75 4.56 4.88 1hg0B1 TYR 194 HB2 -0.05 -0.07 0.24 -0.04 3.06 3.14 1hg0B1 TYR 194 HB3 -0.01 0.04 0.03 -0.04 2.98 3.00 1hg0B1 TYR 194 HD2 -0.03 0.05 -0.04 -0.04 7.15 7.10 1hg0B1 TYR 194 HE2 -0.02 0.07 -0.02 -0.04 6.85 6.84 1hg0B1 TYR 195 H 0.11 0.19 0.06 -0.55 8.29 8.10 1hg0B1 TYR 195 HA 0.07 0.05 0.80 -0.75 4.56 4.73 1hg0B1 TYR 195 HB2 0.03 -0.04 0.10 -0.04 3.06 3.12 1hg0B1 TYR 195 HB3 0.05 0.11 -0.04 -0.04 2.98 3.05 1hg0B1 TYR 195 HD2 0.03 0.06 -0.11 -0.04 7.15 7.08 1hg0B1 TYR 195 HE2 0.02 -0.07 -0.23 -0.04 6.85 6.53 1hg0B1 GLN 196 H 0.23 0.89 0.57 -0.55 8.47 9.62 1hg0B1 GLN 196 HA 0.12 0.14 0.98 -0.75 4.36 4.84 1hg0B1 GLN 196 HB2 0.12 0.13 -0.02 -0.04 2.15 2.35 1hg0B1 GLN 196 HB3 0.09 -0.06 -0.01 -0.04 2.02 2.00 1hg0B1 GLN 196 HG2 0.08 -0.02 -0.12 -0.04 2.40 2.29 1hg0B1 GLN 196 HG3 0.11 0.03 -0.23 -0.04 2.39 2.26 1hg0B1 GLN 196 HE21 0.07 -0.06 -0.07 -0.04 6.97 6.87 1hg0B1 GLN 196 HE22 0.03 -0.00 -0.07 -0.04 7.69 7.61 1hg0B1 ASN 197 H 0.16 0.43 0.39 -0.55 8.53 8.96 1hg0B1 ASN 197 HA 0.07 0.19 0.94 -0.75 4.76 5.22 1hg0B1 ASN 197 HB2 0.11 -0.03 -0.03 -0.04 2.88 2.89 1hg0B1 ASN 197 HB3 0.09 -0.00 -0.06 -0.04 2.79 2.78 1hg0B1 ASN 197 HD21 0.04 -0.09 -0.09 -0.04 7.03 6.85 1hg0B1 ASN 197 HD22 0.08 0.25 -0.08 -0.04 7.74 7.96 1hg0B1 ARG 198 H 0.07 0.32 0.16 -0.55 8.46 8.45 1hg0B1 ARG 198 HA 0.04 0.14 0.76 -0.75 4.34 4.53 1hg0B1 ARG 198 HB2 0.04 -0.06 0.09 -0.04 1.90 1.93 1hg0B1 ARG 198 HB3 0.04 0.11 0.03 -0.04 1.80 1.94 1hg0B1 ARG 198 HG2 -0.03 0.09 0.03 -0.04 1.67 1.73 1hg0B1 ARG 198 HG3 0.00 -0.05 -0.26 -0.04 1.67 1.32 1hg0B1 ARG 198 HD2 0.01 -0.06 -0.03 -0.04 3.22 3.10 1hg0B1 ARG 198 HD3 0.00 0.05 -0.00 -0.04 3.22 3.23 1hg0B1 ILE 199 H 0.08 0.17 0.12 -0.55 8.25 8.08 1hg0B1 ILE 199 HA 0.18 0.06 0.48 -0.75 4.18 4.15 1hg0B1 ILE 199 HB 0.08 -0.01 0.00 -0.04 1.89 1.93 1hg0B1 ILE 199 HG12 0.08 0.09 0.09 -0.04 1.49 1.71 1hg0B1 ILE 199 HG13 0.19 0.01 -0.13 -0.04 1.21 1.23 1hg0B1 ILE 199 HG23 0.07 -0.01 0.02 -0.04 0.93 0.97 1hg0B1 ILE 199 HD13 0.12 -0.02 -0.07 -0.04 0.88 0.86 1hg0B1 ASP 200 H 0.16 0.12 0.09 -0.55 8.40 8.21 1hg0B1 ASP 200 HA 0.06 0.18 0.70 -0.75 4.63 4.82 1hg0B1 ASP 200 HB2 0.07 0.02 0.11 -0.04 2.71 2.86 1hg0B1 ASP 200 HB3 0.08 -0.02 0.23 -0.04 2.70 2.95 1hg0B1 LYS 201 H 0.10 0.39 -0.36 -0.55 8.42 8.00 1hg0B1 LYS 201 HA 0.02 0.22 0.71 -0.75 4.32 4.52 1hg0B1 LYS 201 HB2 0.11 -0.13 -0.13 -0.04 1.87 1.68 1hg0B1 LYS 201 HB3 0.09 0.07 0.01 -0.04 1.79 1.92 1hg0B1 LYS 201 HG2 0.15 -0.19 -0.52 -0.04 1.46 0.86 1hg0B1 LYS 201 HG3 0.05 -0.07 -0.17 -0.04 1.46 1.23 1hg0B1 LYS 201 HD2 0.10 0.10 -0.30 -0.04 1.69 1.55 1hg0B1 LYS 201 HD3 0.08 0.19 0.12 -0.04 1.68 2.03 1hg0B1 LYS 201 HE2 0.18 -0.10 -0.07 -0.04 2.99 2.96 1hg0B1 LYS 201 HE3 0.20 -0.07 -0.11 -0.04 2.99 2.96 1hg0B1 LEU 202 H -0.17 0.66 0.30 -0.55 8.37 8.61 1hg0B1 LEU 202 HA -0.24 0.06 0.52 -0.75 4.35 3.94 1hg0B1 LEU 202 HB2 -0.98 -0.02 -0.01 -0.04 1.64 0.59 1hg0B1 LEU 202 HB3 -0.35 0.02 -0.10 -0.04 1.64 1.18 1hg0B1 LEU 202 HG -0.28 0.05 0.05 -0.04 1.64 1.41 1hg0B1 LEU 202 HD13 -0.40 0.01 -0.02 -0.04 0.93 0.48 1hg0B1 LEU 202 HD23 -0.17 0.01 -0.03 -0.04 0.89 0.66 1hg0B1 HIS 203 H -0.36 0.24 0.15 -0.55 8.41 7.90 1hg0B1 HIS 203 HA -0.08 0.09 0.43 -0.75 4.63 4.32 1hg0B1 HIS 203 HB2 -0.91 0.02 0.21 -0.04 3.26 2.55 1hg0B1 HIS 203 HB3 -0.44 0.13 -0.13 -0.04 3.20 2.71 1hg0B1 HIS 203 HD2 0.01 0.14 -0.21 -0.04 6.97 6.86 1hg0B1 HIS 203 HE1 -0.03 -0.00 -0.24 -0.04 7.75 7.43 1hg0B1 THR 204 H -0.08 0.79 0.35 -0.55 8.28 8.79 1hg0B1 THR 204 HA -0.00 0.14 0.32 -0.75 4.39 4.09 1hg0B1 THR 204 HB 0.05 0.16 0.30 -0.04 4.32 4.78 1hg0B1 THR 204 HG23 0.02 -0.02 0.15 -0.04 1.22 1.33 1hg0B1 THR 205 H 0.01 0.11 0.20 -0.55 8.28 8.05 1hg0B1 THR 205 HA -0.02 0.10 0.37 -0.75 4.39 4.09 1hg0B1 THR 205 HB -0.02 0.01 0.06 -0.04 4.32 4.33 1hg0B1 THR 205 HG23 0.00 0.02 -0.18 -0.04 1.22 1.02 1hg0B1 ARG 206 H -0.11 0.53 -0.20 -0.55 8.46 8.13 1hg0B1 ARG 206 HA -0.06 0.18 0.79 -0.75 4.34 4.49 1hg0B1 ARG 206 HB2 -0.18 -0.10 0.06 -0.04 1.90 1.63 1hg0B1 ARG 206 HB3 -0.11 -0.03 0.14 -0.04 1.80 1.75 1hg0B1 ARG 206 HG2 -0.17 -0.03 -0.03 -0.04 1.67 1.40 1hg0B1 ARG 206 HG3 -0.18 0.00 0.01 -0.04 1.67 1.47 1hg0B1 ARG 206 HD2 -0.07 0.12 -0.18 -0.04 3.22 3.06 1hg0B1 ARG 206 HD3 -0.07 -0.02 -0.09 -0.04 3.22 3.00 1hg0B1 SER 207 H -0.01 0.48 -0.43 -0.55 8.46 7.95 1hg0B1 SER 207 HA 0.25 0.02 0.60 -0.75 4.49 4.61 1hg0B1 SER 207 HB2 0.17 -0.19 -0.16 -0.04 3.95 3.73 1hg0B1 SER 207 HB3 0.03 0.32 -0.04 -0.04 3.93 4.20 1hg0B1 VAL 208 H -0.24 0.08 0.10 -0.55 8.24 7.63 1hg0B1 VAL 208 HA -0.15 0.18 0.50 -0.75 4.13 3.91 1hg0B1 VAL 208 HB -0.22 -0.01 0.07 -0.04 2.12 1.92 1hg0B1 VAL 208 HG13 -0.04 0.01 -0.03 -0.04 0.97 0.87 1hg0B1 VAL 208 HG23 -0.89 -0.01 -0.12 -0.04 0.95 -0.12 1hg0B1 PHE 209 H -0.44 0.03 -0.21 -0.55 8.34 7.18 1hg0B1 PHE 209 HA -0.18 0.06 0.47 -0.75 4.62 4.21 1hg0B1 PHE 209 HB2 -0.33 0.28 0.05 -0.04 3.15 3.11 1hg0B1 PHE 209 HB3 -0.31 -0.03 -0.12 -0.04 3.06 2.56 1hg0B1 PHE 209 HD2 -0.47 0.12 -0.07 -0.04 7.28 6.82 1hg0B1 PHE 209 HE2 -1.45 0.00 -0.13 -0.04 7.38 5.76 1hg0B1 PHE 209 HZ -1.52 -0.02 -0.06 -0.04 7.32 5.68 1hg0B1 ASP 210 H -0.01 0.25 0.17 -0.55 8.40 8.26 1hg0B1 ASP 210 HA -0.01 0.17 0.93 -0.75 4.63 4.98 1hg0B1 ASP 210 HB2 -0.03 0.11 -0.03 -0.04 2.71 2.72 1hg0B1 ASP 210 HB3 -0.01 0.01 0.15 -0.04 2.70 2.81 1hg0B1 VAL 211 H 0.01 0.21 0.09 -0.55 8.24 8.00 1hg0B1 VAL 211 HA 0.04 0.26 0.84 -0.75 4.13 4.52 1hg0B1 VAL 211 HB 0.13 -0.03 0.07 -0.04 2.12 2.24 1hg0B1 VAL 211 HG13 -0.01 0.01 -0.18 -0.04 0.97 0.76 1hg0B1 VAL 211 HG23 0.10 0.01 -0.09 -0.04 0.95 0.93 1hg0B1 ARG 212 H 0.02 0.07 -0.06 -0.55 8.46 7.94 1hg0B1 ARG 212 HA 0.04 0.03 0.49 -0.75 4.34 4.14 1hg0B1 ARG 212 HB2 0.02 0.02 0.11 -0.04 1.90 2.01 1hg0B1 ARG 212 HB3 0.02 0.03 -0.00 -0.04 1.80 1.80 1hg0B1 ARG 212 HG2 0.02 0.04 0.03 -0.04 1.67 1.72 1hg0B1 ARG 212 HG3 0.03 -0.01 0.05 -0.04 1.67 1.70 1hg0B1 ARG 212 HD2 0.02 0.04 0.04 -0.04 3.22 3.28 1hg0B1 ARG 212 HD3 0.02 -0.17 0.07 -0.04 3.22 3.10 1hg0B1 GLY 213 H 0.03 0.14 0.17 -0.55 8.43 8.23 1hg0B1 GLY 213 HA2 0.02 -0.04 0.33 -0.51 4.01 3.81 1hg0B1 GLY 213 HA3 0.02 0.18 0.71 -0.51 4.01 4.42 1hg0B1 LEU 214 H 0.04 0.48 -0.39 -0.55 8.37 7.95 1hg0B1 LEU 214 HA 0.04 0.05 0.63 -0.75 4.35 4.31 1hg0B1 LEU 214 HB2 0.06 0.19 0.14 -0.04 1.64 2.00 1hg0B1 LEU 214 HB3 0.06 -0.03 0.00 -0.04 1.64 1.63 1hg0B1 LEU 214 HG 0.04 0.06 -0.08 -0.04 1.64 1.62 1hg0B1 LEU 214 HD13 0.06 -0.01 0.05 -0.04 0.93 0.98 1hg0B1 LEU 214 HD23 0.04 0.02 0.06 -0.04 0.89 0.97 1hg0B1 THR 215 H 0.04 0.04 0.24 -0.55 8.28 8.05 1hg0B1 THR 215 HA 0.03 0.20 0.92 -0.75 4.39 4.79 1hg0B1 THR 215 HB 0.02 -0.05 0.08 -0.04 4.32 4.33 1hg0B1 THR 215 HG23 0.02 0.03 -0.16 -0.04 1.22 1.06 1hg0B1 SER 216 H 0.04 0.10 0.21 -0.55 8.46 8.25 1hg0B1 SER 216 HA 0.03 0.11 0.77 -0.75 4.49 4.65 1hg0B1 SER 216 HB2 0.03 0.03 0.07 -0.04 3.95 4.03 1hg0B1 SER 216 HB3 0.02 0.02 -0.13 -0.04 3.93 3.80 1hg0B1 LEU 217 H 0.04 0.15 0.12 -0.55 8.37 8.12 1hg0B1 LEU 217 HA 0.06 0.29 0.91 -0.75 4.35 4.86 1hg0B1 LEU 217 HB2 0.05 -0.14 -0.03 -0.04 1.64 1.48 1hg0B1 LEU 217 HB3 0.08 0.15 -0.02 -0.04 1.64 1.81 1hg0B1 LEU 217 HG 0.08 -0.09 -0.52 -0.04 1.64 1.06 1hg0B1 LEU 217 HD13 0.05 -0.05 -0.15 -0.04 0.93 0.75 1hg0B1 LEU 217 HD23 0.18 0.05 -0.11 -0.04 0.89 0.97 1hg0B1 PRO 218 HA 0.04 0.04 0.47 -0.51 4.44 4.48 1hg0B1 PRO 218 HB2 0.06 -0.02 -0.00 -0.04 2.28 2.27 1hg0B1 PRO 218 HB3 0.05 0.05 0.06 -0.04 2.02 2.15 1hg0B1 PRO 218 HG2 0.06 0.09 -0.12 -0.04 2.03 2.01 1hg0B1 PRO 218 HG3 0.05 0.06 -0.04 -0.04 2.03 2.06 1hg0B1 PRO 218 HD2 0.06 0.16 0.16 -0.04 3.68 4.02 1hg0B1 PRO 218 HD3 0.06 0.14 0.17 -0.04 3.65 3.98 1hg0B1 LYS 219 H 0.04 0.18 0.23 -0.55 8.42 8.31 1hg0B1 LYS 219 HA 0.04 0.05 0.57 -0.75 4.32 4.23 1hg0B1 LYS 219 HB2 0.04 0.06 0.18 -0.04 1.87 2.11 1hg0B1 LYS 219 HB3 0.04 -0.00 0.20 -0.04 1.79 1.99 1hg0B1 LYS 219 HG2 0.04 -0.05 -0.07 -0.04 1.46 1.33 1hg0B1 LYS 219 HG3 0.04 -0.04 0.03 -0.04 1.46 1.45 1hg0B1 LYS 219 HD2 0.05 0.12 -0.04 -0.04 1.69 1.79 1hg0B1 LYS 219 HD3 0.06 -0.03 -0.18 -0.04 1.68 1.48 1hg0B1 LYS 219 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.94 1hg0B1 LYS 219 HE3 0.06 0.06 -0.03 -0.04 2.99 3.05 1hg0B1 VAL 220 H 0.04 0.23 0.20 -0.55 8.24 8.16 1hg0B1 VAL 220 HA 0.05 0.26 0.98 -0.75 4.13 4.66 1hg0B1 VAL 220 HB 0.06 -0.02 0.05 -0.04 2.12 2.17 1hg0B1 VAL 220 HG13 0.07 -0.01 -0.30 -0.04 0.97 0.69 1hg0B1 VAL 220 HG23 0.07 0.01 -0.36 -0.04 0.95 0.63 1hg0B1 ASP 221 H 0.04 0.41 0.26 -0.55 8.40 8.57 1hg0B1 ASP 221 HA 0.02 0.18 0.96 -0.75 4.63 5.04 1hg0B1 ASP 221 HB2 0.01 0.03 0.05 -0.04 2.71 2.75 1hg0B1 ASP 221 HB3 -0.00 -0.00 0.02 -0.04 2.70 2.68 1hg0B1 ILE 222 H 0.02 0.20 0.17 -0.55 8.25 8.09 1hg0B1 ILE 222 HA 0.05 0.41 1.12 -0.75 4.18 5.01 1hg0B1 ILE 222 HB 0.05 -0.05 0.07 -0.04 1.89 1.92 1hg0B1 ILE 222 HG12 0.06 0.07 -0.19 -0.04 1.49 1.38 1hg0B1 ILE 222 HG13 0.04 -0.06 -0.27 -0.04 1.21 0.88 1hg0B1 ILE 222 HG23 0.07 -0.01 -0.20 -0.04 0.93 0.75 1hg0B1 ILE 222 HD13 0.05 -0.02 -0.16 -0.04 0.88 0.71 1hg0B1 LEU 223 H 0.06 0.57 0.29 -0.55 8.37 8.75 1hg0B1 LEU 223 HA 0.03 0.13 0.91 -0.75 4.35 4.67 1hg0B1 LEU 223 HB2 -0.08 -0.00 -0.01 -0.04 1.64 1.50 1hg0B1 LEU 223 HB3 -0.15 0.03 -0.02 -0.04 1.64 1.45 1hg0B1 LEU 223 HG -0.14 -0.02 -0.31 -0.04 1.64 1.13 1hg0B1 LEU 223 HD13 -0.81 0.00 -0.22 -0.04 0.93 -0.14 1hg0B1 LEU 223 HD23 -0.12 0.05 -0.12 -0.04 0.89 0.66 1hg0B1 TYR 224 H 0.24 0.12 0.13 -0.55 8.29 8.22 1hg0B1 TYR 224 HA 0.02 0.16 0.63 -0.75 4.56 4.61 1hg0B1 TYR 224 HB2 0.05 -0.01 0.08 -0.04 3.06 3.14 1hg0B1 TYR 224 HB3 0.25 -0.03 -0.06 -0.04 2.98 3.10 1hg0B1 TYR 224 HD2 0.08 -0.05 -0.12 -0.04 7.15 7.02 1hg0B1 TYR 224 HE2 -0.02 -0.01 0.02 -0.04 6.85 6.80 1hg0B1 GLY 225 H -0.49 0.49 0.22 -0.55 8.43 8.10 1hg0B1 GLY 225 HA2 0.15 0.09 0.87 -0.51 4.01 4.62 1hg0B1 GLY 225 HA3 -0.04 -0.04 0.30 -0.51 4.01 3.72 1hg0B1 TYR 226 H -0.21 0.26 0.18 -0.55 8.29 7.97 1hg0B1 TYR 226 HA 0.04 0.08 0.49 -0.75 4.56 4.42 1hg0B1 TYR 226 HB2 0.10 -0.01 0.08 -0.04 3.06 3.19 1hg0B1 TYR 226 HB3 0.20 0.15 -0.11 -0.04 2.98 3.18 1hg0B1 TYR 226 HD2 0.20 0.09 -0.48 -0.04 7.15 6.92 1hg0B1 TYR 226 HE2 0.09 0.04 -0.15 -0.04 6.85 6.79 1hg0B1 GLN 227 H 0.19 0.16 0.12 -0.55 8.47 8.40 1hg0B1 GLN 227 HA 0.02 -0.03 0.46 -0.75 4.36 4.06 1hg0B1 GLN 227 HB2 0.12 0.04 0.13 -0.04 2.15 2.39 1hg0B1 GLN 227 HB3 0.06 0.04 0.03 -0.04 2.02 2.12 1hg0B1 GLN 227 HG2 0.04 -0.00 0.06 -0.04 2.40 2.46 1hg0B1 GLN 227 HG3 0.07 -0.03 0.10 -0.04 2.39 2.49 1hg0B1 GLN 227 HE21 0.03 0.03 0.02 -0.04 6.97 7.01 1hg0B1 GLN 227 HE22 0.03 -0.01 0.02 -0.04 7.69 7.69 1hg0B1 ASP 228 H -0.02 0.06 0.23 -0.55 8.40 8.13 1hg0B1 ASP 228 HA -0.01 -0.02 0.34 -0.75 4.63 4.18 1hg0B1 ASP 228 HB2 0.12 0.26 0.09 -0.04 2.71 3.14 1hg0B1 ASP 228 HB3 0.06 -0.02 0.18 -0.04 2.70 2.88 1hg0B1 ASP 229 H -0.29 0.21 -0.10 -0.55 8.40 7.68 1hg0B1 ASP 229 HA -0.70 0.13 0.37 -0.75 4.63 3.68 1hg0B1 ASP 229 HB2 -0.33 0.12 0.04 -0.04 2.71 2.51 1hg0B1 ASP 229 HB3 -1.14 -0.06 0.11 -0.04 2.70 1.57 1hg0B1 PRO 230 HA -0.04 0.06 0.62 -0.51 4.44 4.58 1hg0B1 PRO 230 HB2 -0.91 -0.15 0.02 -0.04 2.28 1.20 1hg0B1 PRO 230 HB3 -0.02 0.14 0.12 -0.04 2.02 2.22 1hg0B1 PRO 230 HG2 -0.41 -0.08 0.11 -0.04 2.03 1.60 1hg0B1 PRO 230 HG3 -0.27 0.10 0.08 -0.04 2.03 1.89 1hg0B1 PRO 230 HD2 -0.10 0.09 0.21 -0.04 3.68 3.84 1hg0B1 PRO 230 HD3 0.04 0.26 0.23 -0.04 3.65 4.14 1hg0B1 GLU 231 H 0.02 0.19 0.19 -0.55 8.60 8.45 1hg0B1 GLU 231 HA 0.08 0.16 0.49 -0.75 4.29 4.27 1hg0B1 GLU 231 HB2 -0.02 0.03 0.14 -0.04 2.09 2.19 1hg0B1 GLU 231 HB3 0.05 -0.00 0.14 -0.04 1.99 2.13 1hg0B1 GLU 231 HG2 0.04 -0.02 -0.15 -0.04 2.34 2.17 1hg0B1 GLU 231 HG3 -0.07 0.01 0.04 -0.04 2.34 2.28 1hg0B1 TYR 232 H 0.12 0.09 -0.06 -0.55 8.29 7.89 1hg0B1 TYR 232 HA 0.07 0.08 0.32 -0.75 4.56 4.28 1hg0B1 TYR 232 HB2 0.05 0.07 0.07 -0.04 3.06 3.20 1hg0B1 TYR 232 HB3 0.04 0.02 0.09 -0.04 2.98 3.10 1hg0B1 TYR 232 HD2 0.04 -0.02 -0.19 -0.04 7.15 6.94 1hg0B1 TYR 232 HE2 0.04 0.04 -0.03 -0.04 6.85 6.86 1hg0B1 LEU 233 H -0.41 0.21 -0.54 -0.55 8.37 7.08 1hg0B1 LEU 233 HA -0.03 0.09 0.43 -0.75 4.35 4.10 1hg0B1 LEU 233 HB2 -0.26 0.13 0.03 -0.04 1.64 1.50 1hg0B1 LEU 233 HB3 -0.20 0.02 -0.01 -0.04 1.64 1.41 1hg0B1 LEU 233 HG -0.65 -0.07 -0.00 -0.04 1.64 0.87 1hg0B1 LEU 233 HD13 -0.04 0.02 0.03 -0.04 0.93 0.89 1hg0B1 LEU 233 HD23 0.02 0.01 -0.01 -0.04 0.89 0.87 1hg0B1 TYR 234 H 0.18 0.36 -0.20 -0.55 8.29 8.08 1hg0B1 TYR 234 HA 0.00 0.07 0.41 -0.75 4.56 4.29 1hg0B1 TYR 234 HB2 -0.02 0.15 0.18 -0.04 3.06 3.32 1hg0B1 TYR 234 HB3 -0.01 0.09 -0.04 -0.04 2.98 2.98 1hg0B1 TYR 234 HD2 -0.06 0.07 -0.04 -0.04 7.15 7.08 1hg0B1 TYR 234 HE2 -0.11 0.02 -0.12 -0.04 6.85 6.60 1hg0B1 ASP 235 H 0.16 0.22 -0.13 -0.55 8.40 8.11 1hg0B1 ASP 235 HA 0.10 0.08 0.34 -0.75 4.63 4.40 1hg0B1 ASP 235 HB2 0.15 0.06 0.11 -0.04 2.71 2.99 1hg0B1 ASP 235 HB3 0.10 0.03 -0.01 -0.04 2.70 2.77 1hg0B1 ALA 236 H 0.13 0.44 -0.30 -0.55 8.40 8.13 1hg0B1 ALA 236 HA 0.18 0.04 0.38 -0.75 4.34 4.19 1hg0B1 ALA 236 HB3 0.09 0.02 0.06 -0.04 1.41 1.54 1hg0B1 ALA 237 H 0.05 0.39 -0.23 -0.55 8.40 8.06 1hg0B1 ALA 237 HA 0.05 0.02 0.36 -0.75 4.34 4.02 1hg0B1 ALA 237 HB3 -0.00 0.02 0.04 -0.04 1.41 1.42 1hg0B1 ILE 238 H 0.09 0.53 -0.17 -0.55 8.25 8.15 1hg0B1 ILE 238 HA 0.06 0.07 0.35 -0.75 4.18 3.91 1hg0B1 ILE 238 HB 0.07 0.03 0.09 -0.04 1.89 2.05 1hg0B1 ILE 238 HG12 0.07 0.01 -0.06 -0.04 1.49 1.47 1hg0B1 ILE 238 HG13 0.10 0.16 0.02 -0.04 1.21 1.45 1hg0B1 ILE 238 HG23 0.04 0.01 -0.13 -0.04 0.93 0.82 1hg0B1 ILE 238 HD13 0.07 -0.02 -0.27 -0.04 0.88 0.62 1hg0B1 GLN 239 H 0.10 0.56 -0.13 -0.55 8.47 8.45 1hg0B1 GLN 239 HA 0.01 0.02 0.39 -0.75 4.36 4.02 1hg0B1 GLN 239 HB2 0.12 0.11 0.17 -0.04 2.15 2.50 1hg0B1 GLN 239 HB3 -0.07 -0.04 -0.03 -0.04 2.02 1.84 1hg0B1 GLN 239 HG2 -0.00 -0.06 0.02 -0.04 2.40 2.32 1hg0B1 GLN 239 HG3 0.01 -0.01 0.05 -0.04 2.39 2.41 1hg0B1 GLN 239 HE21 0.07 -0.11 -0.11 -0.04 6.97 6.79 1hg0B1 GLN 239 HE22 0.06 -0.02 -0.05 -0.04 7.69 7.63 1hg0B1 HIS 240 H 0.21 0.34 -0.54 -0.55 8.41 7.88 1hg0B1 HIS 240 HA 0.02 0.13 0.80 -0.75 4.63 4.82 1hg0B1 HIS 240 HB2 0.02 0.07 0.10 -0.04 3.26 3.42 1hg0B1 HIS 240 HB3 0.02 -0.08 0.17 -0.04 3.20 3.27 1hg0B1 HIS 240 HD2 0.02 -0.03 0.01 -0.04 6.97 6.92 1hg0B1 HIS 240 HE1 0.03 -0.07 -0.03 -0.04 7.75 7.63 1hg0B1 GLY 241 H 0.05 0.44 -0.46 -0.55 8.43 7.91 1hg0B1 GLY 241 HA2 0.04 0.10 0.30 -0.51 4.01 3.93 1hg0B1 GLY 241 HA3 0.04 -0.04 0.34 -0.51 4.01 3.83 1hg0B1 VAL 242 H 0.07 0.29 -0.07 -0.55 8.24 7.97 1hg0B1 VAL 242 HA 0.05 0.02 0.49 -0.75 4.13 3.94 1hg0B1 VAL 242 HB 0.04 0.05 0.03 -0.04 2.12 2.20 1hg0B1 VAL 242 HG13 0.05 -0.00 -0.09 -0.04 0.97 0.88 1hg0B1 VAL 242 HG23 0.05 0.03 -0.31 -0.04 0.95 0.67 1hg0B1 LYS 243 H 0.05 0.63 0.39 -0.55 8.42 8.93 1hg0B1 LYS 243 HA 0.04 0.20 0.76 -0.75 4.32 4.57 1hg0B1 LYS 243 HB2 0.05 0.01 0.07 -0.04 1.87 1.96 1hg0B1 LYS 243 HB3 0.05 0.00 0.12 -0.04 1.79 1.92 1hg0B1 LYS 243 HG2 0.04 -0.02 0.11 -0.04 1.46 1.55 1hg0B1 LYS 243 HG3 0.04 -0.06 0.08 -0.04 1.46 1.48 1hg0B1 LYS 243 HD2 0.04 0.00 0.05 -0.04 1.69 1.73 1hg0B1 LYS 243 HD3 0.04 0.12 -0.10 -0.04 1.68 1.69 1hg0B1 LYS 243 HE2 0.03 0.05 0.01 -0.04 2.99 3.05 1hg0B1 LYS 243 HE3 0.03 -0.05 0.02 -0.04 2.99 2.95 1hg0B1 GLY 244 H 0.05 0.27 0.26 -0.55 8.43 8.46 1hg0B1 GLY 244 HA2 0.05 0.25 0.79 -0.51 4.01 4.59 1hg0B1 GLY 244 HA3 0.06 0.00 0.27 -0.51 4.01 3.83 1hg0B1 ILE 245 H 0.05 0.68 0.28 -0.55 8.25 8.71 1hg0B1 ILE 245 HA 0.04 0.20 0.98 -0.75 4.18 4.66 1hg0B1 ILE 245 HB 0.08 -0.02 0.00 -0.04 1.89 1.91 1hg0B1 ILE 245 HG12 0.02 -0.01 -0.11 -0.04 1.49 1.35 1hg0B1 ILE 245 HG13 0.05 0.02 -0.51 -0.04 1.21 0.73 1hg0B1 ILE 245 HG23 0.05 -0.03 -0.31 -0.04 0.93 0.60 1hg0B1 ILE 245 HD13 0.08 -0.01 -0.16 -0.04 0.88 0.74 1hg0B1 VAL 246 H 0.06 0.77 0.32 -0.55 8.24 8.84 1hg0B1 VAL 246 HA 0.07 0.22 0.87 -0.75 4.13 4.54 1hg0B1 VAL 246 HB 0.07 -0.02 0.04 -0.04 2.12 2.17 1hg0B1 VAL 246 HG13 0.07 0.01 -0.24 -0.04 0.97 0.77 1hg0B1 VAL 246 HG23 0.10 0.00 -0.26 -0.04 0.95 0.75 1hg0B1 TYR 247 H 0.16 0.82 0.32 -0.55 8.29 9.04 1hg0B1 TYR 247 HA 0.01 0.20 0.90 -0.75 4.56 4.92 1hg0B1 TYR 247 HB2 0.07 -0.00 -0.11 -0.04 3.06 2.97 1hg0B1 TYR 247 HB3 0.02 0.07 0.18 -0.04 2.98 3.21 1hg0B1 TYR 247 HD2 0.03 0.08 -0.14 -0.04 7.15 7.08 1hg0B1 TYR 247 HE2 0.01 0.11 -0.35 -0.04 6.85 6.58 1hg0B1 ALA 248 H -0.11 0.59 0.09 -0.55 8.40 8.42 1hg0B1 ALA 248 HA -0.22 0.04 0.28 -0.75 4.34 3.68 1hg0B1 ALA 248 HB3 -0.13 -0.02 0.02 -0.04 1.41 1.24 1hg0B1 GLY 249 H -0.60 0.57 -0.28 -0.55 8.43 7.58 1hg0B1 GLY 249 HA2 -1.08 -0.02 0.34 -0.51 4.01 2.74 1hg0B1 GLY 249 HA3 -0.69 0.19 0.22 -0.51 4.01 3.21 1hg0B1 MET 250 H -0.08 0.24 0.12 -0.55 8.47 8.20 1hg0B1 MET 250 HA -0.10 0.06 0.56 -0.75 4.52 4.29 1hg0B1 MET 250 HB2 0.01 0.02 -0.01 -0.04 2.15 2.13 1hg0B1 MET 250 HB3 -0.00 -0.00 -0.00 -0.04 2.03 1.98 1hg0B1 MET 250 HG2 -0.00 0.17 -0.23 -0.04 2.63 2.53 1hg0B1 MET 250 HG3 -0.00 -0.06 -0.11 -0.04 2.56 2.34 1hg0B1 MET 250 HE3 0.06 0.03 -0.09 -0.04 2.10 2.06 1hg0B1 GLY 251 H -0.05 0.10 0.19 -0.55 8.43 8.13 1hg0B1 GLY 251 HA2 -0.02 0.06 0.36 -0.51 4.01 3.89 1hg0B1 GLY 251 HA3 -0.01 0.01 0.37 -0.51 4.01 3.87 1hg0B1 ALA 252 H -0.00 0.12 0.12 -0.55 8.40 8.09 1hg0B1 ALA 252 HA -0.01 0.15 0.52 -0.75 4.34 4.25 1hg0B1 ALA 252 HB3 0.01 0.02 0.19 -0.04 1.41 1.58 1hg0B1 GLY 253 H -0.03 0.41 -0.40 -0.55 8.43 7.86 1hg0B1 GLY 253 HA2 0.01 0.07 0.26 -0.51 4.01 3.84 1hg0B1 GLY 253 HA3 0.06 0.08 0.29 -0.51 4.01 3.93 1hg0B1 SER 254 H 0.04 0.36 -0.33 -0.55 8.46 7.98 1hg0B1 SER 254 HA 0.05 0.10 0.38 -0.75 4.49 4.27 1hg0B1 SER 254 HB2 0.04 -0.07 -0.07 -0.04 3.95 3.81 1hg0B1 SER 254 HB3 0.03 -0.02 -0.05 -0.04 3.93 3.84 1hg0B1 VAL 255 H 0.02 0.22 0.17 -0.55 8.24 8.10 1hg0B1 VAL 255 HA 0.06 0.10 0.95 -0.75 4.13 4.48 1hg0B1 VAL 255 HB -0.10 0.02 -0.01 -0.04 2.12 1.99 1hg0B1 VAL 255 HG13 -0.31 0.01 -0.14 -0.04 0.97 0.49 1hg0B1 VAL 255 HG23 -0.10 0.06 -0.16 -0.04 0.95 0.71 1hg0B1 SER 256 H -0.04 0.06 0.15 -0.55 8.46 8.09 1hg0B1 SER 256 HA -0.03 0.25 0.64 -0.75 4.49 4.60 1hg0B1 SER 256 HB2 -0.04 0.02 0.21 -0.04 3.95 4.10 1hg0B1 SER 256 HB3 -0.03 0.10 0.12 -0.04 3.93 4.08 1hg0B1 VAL 257 H -0.04 0.20 0.19 -0.55 8.24 8.04 1hg0B1 VAL 257 HA -0.06 0.17 0.42 -0.75 4.13 3.90 1hg0B1 VAL 257 HB -0.04 0.07 0.08 -0.04 2.12 2.19 1hg0B1 VAL 257 HG13 -0.03 0.03 0.09 -0.04 0.97 1.01 1hg0B1 VAL 257 HG23 -0.03 0.00 0.03 -0.04 0.95 0.92 1hg0B1 ARG 258 H -0.07 0.03 -0.20 -0.55 8.46 7.67 1hg0B1 ARG 258 HA -0.08 0.16 0.56 -0.75 4.34 4.22 1hg0B1 ARG 258 HB2 -0.07 0.04 0.05 -0.04 1.90 1.88 1hg0B1 ARG 258 HB3 -0.05 -0.03 -0.01 -0.04 1.80 1.66 1hg0B1 ARG 258 HG2 -0.02 0.02 0.03 -0.04 1.67 1.66 1hg0B1 ARG 258 HG3 -0.04 -0.09 0.02 -0.04 1.67 1.52 1hg0B1 ARG 258 HD2 -0.01 -0.01 -0.00 -0.04 3.22 3.15 1hg0B1 ARG 258 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 1hg0B1 GLY 259 H -0.13 -0.00 -0.19 -0.55 8.43 7.56 1hg0B1 GLY 259 HA2 -0.45 0.11 0.38 -0.51 4.01 3.54 1hg0B1 GLY 259 HA3 -0.25 0.03 0.26 -0.51 4.01 3.54 1hg0B1 ILE 260 H -0.18 0.48 -0.27 -0.55 8.25 7.73 1hg0B1 ILE 260 HA -0.21 0.09 0.39 -0.75 4.18 3.69 1hg0B1 ILE 260 HB -0.11 0.03 0.09 -0.04 1.89 1.85 1hg0B1 ILE 260 HG12 -0.11 0.04 0.01 -0.04 1.49 1.39 1hg0B1 ILE 260 HG13 -0.12 -0.04 -0.10 -0.04 1.21 0.91 1hg0B1 ILE 260 HG23 -0.09 0.01 -0.17 -0.04 0.93 0.64 1hg0B1 ILE 260 HD13 -0.06 -0.00 -0.06 -0.04 0.88 0.71 1hg0B1 ALA 261 H -0.16 0.33 -0.25 -0.55 8.40 7.77 1hg0B1 ALA 261 HA -0.11 0.06 0.40 -0.75 4.34 3.94 1hg0B1 ALA 261 HB3 -0.09 0.03 0.12 -0.04 1.41 1.43 1hg0B1 GLY 262 H -0.39 0.35 -0.36 -0.55 8.43 7.49 1hg0B1 GLY 262 HA2 -0.21 0.01 0.43 -0.51 4.01 3.73 1hg0B1 GLY 262 HA3 -0.98 0.03 0.33 -0.51 4.01 2.88 1hg0B1 MET 263 H -0.51 0.66 -0.05 -0.55 8.47 8.02 1hg0B1 MET 263 HA -0.09 0.01 0.36 -0.75 4.52 4.04 1hg0B1 MET 263 HB2 -0.20 0.09 0.10 -0.04 2.15 2.10 1hg0B1 MET 263 HB3 -0.11 -0.03 -0.05 -0.04 2.03 1.81 1hg0B1 MET 263 HG2 -0.08 -0.06 -0.07 -0.04 2.63 2.38 1hg0B1 MET 263 HG3 -0.44 0.19 0.02 -0.04 2.56 2.28 1hg0B1 MET 263 HE3 -0.51 -0.01 -0.15 -0.04 2.10 1.39 1hg0B1 ARG 264 H -0.15 0.53 -0.26 -0.55 8.46 8.02 1hg0B1 ARG 264 HA -0.05 0.03 0.50 -0.75 4.34 4.06 1hg0B1 ARG 264 HB2 -0.08 0.08 0.14 -0.04 1.90 2.01 1hg0B1 ARG 264 HB3 -0.05 -0.03 0.01 -0.04 1.80 1.69 1hg0B1 ARG 264 HG2 -0.05 -0.02 0.03 -0.04 1.67 1.59 1hg0B1 ARG 264 HG3 -0.08 0.03 0.03 -0.04 1.67 1.61 1hg0B1 ARG 264 HD2 -0.07 -0.03 -0.11 -0.04 3.22 2.97 1hg0B1 ARG 264 HD3 -0.05 -0.02 -0.02 -0.04 3.22 3.09 1hg0B1 LYS 265 H -0.07 0.42 -0.22 -0.55 8.42 7.99 1hg0B1 LYS 265 HA -0.01 0.03 0.44 -0.75 4.32 4.03 1hg0B1 LYS 265 HB2 -0.01 0.14 0.15 -0.04 1.87 2.10 1hg0B1 LYS 265 HB3 0.02 -0.02 -0.06 -0.04 1.79 1.68 1hg0B1 LYS 265 HG2 -0.01 -0.02 0.02 -0.04 1.46 1.41 1hg0B1 LYS 265 HG3 -0.03 0.15 0.06 -0.04 1.46 1.60 1hg0B1 LYS 265 HD2 0.01 -0.05 -0.05 -0.04 1.69 1.56 1hg0B1 LYS 265 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 1hg0B1 LYS 265 HE2 0.02 -0.07 -0.05 -0.04 2.99 2.85 1hg0B1 LYS 265 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 1hg0B1 ALA 266 H -0.00 0.43 -0.20 -0.55 8.40 8.07 1hg0B1 ALA 266 HA 0.04 0.03 0.32 -0.75 4.34 3.98 1hg0B1 ALA 266 HB3 0.07 0.03 -0.01 -0.04 1.41 1.46 1hg0B1 LEU 267 H -0.01 0.57 -0.09 -0.55 8.37 8.29 1hg0B1 LEU 267 HA 0.01 0.23 0.46 -0.75 4.35 4.29 1hg0B1 LEU 267 HB2 -0.02 0.03 0.17 -0.04 1.64 1.79 1hg0B1 LEU 267 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.57 1hg0B1 LEU 267 HG -0.02 0.12 0.09 -0.04 1.64 1.79 1hg0B1 LEU 267 HD13 -0.03 -0.05 0.01 -0.04 0.93 0.82 1hg0B1 LEU 267 HD23 -0.00 0.06 0.11 -0.04 0.89 1.01 1hg0B1 GLU 268 H -0.01 0.53 -0.19 -0.55 8.60 8.38 1hg0B1 GLU 268 HA -0.00 -0.01 0.42 -0.75 4.29 3.94 1hg0B1 GLU 268 HB2 -0.01 0.07 0.17 -0.04 2.09 2.28 1hg0B1 GLU 268 HB3 -0.00 0.09 0.09 -0.04 1.99 2.13 1hg0B1 GLU 268 HG2 0.00 0.01 0.06 -0.04 2.34 2.36 1hg0B1 GLU 268 HG3 -0.00 -0.05 0.08 -0.04 2.34 2.33 1hg0B1 LYS 269 H 0.01 0.34 -0.56 -0.55 8.42 7.65 1hg0B1 LYS 269 HA 0.01 0.12 0.81 -0.75 4.32 4.50 1hg0B1 LYS 269 HB2 0.03 0.06 0.11 -0.04 1.87 2.02 1hg0B1 LYS 269 HB3 0.02 -0.04 0.18 -0.04 1.79 1.91 1hg0B1 LYS 269 HG2 0.01 0.08 -0.06 -0.04 1.46 1.46 1hg0B1 LYS 269 HG3 0.02 -0.10 -0.04 -0.04 1.46 1.30 1hg0B1 LYS 269 HD2 0.01 -0.09 -0.04 -0.04 1.69 1.54 1hg0B1 LYS 269 HD3 0.01 0.00 0.02 -0.04 1.68 1.67 1hg0B1 LYS 269 HE2 0.01 0.21 -0.08 -0.04 2.99 3.09 1hg0B1 LYS 269 HE3 0.01 -0.06 -0.20 -0.04 2.99 2.69 1hg0B1 GLY 270 H 0.01 0.47 -0.35 -0.55 8.43 8.01 1hg0B1 GLY 270 HA2 0.01 -0.03 0.30 -0.51 4.01 3.79 1hg0B1 GLY 270 HA3 0.02 0.05 0.53 -0.51 4.01 4.10 1hg0B1 VAL 271 H 0.02 0.47 -0.15 -0.55 8.24 8.03 1hg0B1 VAL 271 HA 0.03 0.25 0.59 -0.75 4.13 4.25 1hg0B1 VAL 271 HB 0.04 -0.13 -0.18 -0.04 2.12 1.81 1hg0B1 VAL 271 HG13 0.05 -0.03 -0.59 -0.04 0.97 0.36 1hg0B1 VAL 271 HG23 0.04 0.06 -0.15 -0.04 0.95 0.86 1hg0B1 VAL 272 H 0.03 0.68 0.32 -0.55 8.24 8.72 1hg0B1 VAL 272 HA 0.01 0.06 0.67 -0.75 4.13 4.11 1hg0B1 VAL 272 HB 0.04 0.05 0.21 -0.04 2.12 2.38 1hg0B1 VAL 272 HG13 0.01 -0.04 -0.23 -0.04 0.97 0.68 1hg0B1 VAL 272 HG23 0.03 0.03 0.02 -0.04 0.95 0.99 1hg0B1 VAL 273 H -0.00 0.16 0.18 -0.55 8.24 8.03 1hg0B1 VAL 273 HA 0.03 0.20 0.98 -0.75 4.13 4.58 1hg0B1 VAL 273 HB -0.01 -0.07 0.12 -0.04 2.12 2.11 1hg0B1 VAL 273 HG13 0.01 -0.00 -0.22 -0.04 0.97 0.72 1hg0B1 VAL 273 HG23 0.03 0.04 -0.15 -0.04 0.95 0.82 1hg0B1 MET 274 H 0.03 0.76 0.32 -0.55 8.47 9.03 1hg0B1 MET 274 HA -0.11 0.13 0.85 -0.75 4.52 4.63 1hg0B1 MET 274 HB2 -0.16 0.02 -0.19 -0.04 2.15 1.78 1hg0B1 MET 274 HB3 -0.02 -0.01 0.05 -0.04 2.03 2.01 1hg0B1 MET 274 HG2 -0.25 0.01 -0.22 -0.04 2.63 2.13 1hg0B1 MET 274 HG3 -0.08 -0.09 -0.46 -0.04 2.56 1.89 1hg0B1 MET 274 HE3 -1.42 0.01 -0.19 -0.04 2.10 0.46 1hg0B1 ARG 275 H -0.03 0.86 0.20 -0.55 8.46 8.94 1hg0B1 ARG 275 HA 0.20 -0.00 0.94 -0.75 4.34 4.72 1hg0B1 ARG 275 HB2 0.04 0.11 0.24 -0.04 1.90 2.25 1hg0B1 ARG 275 HB3 0.15 0.04 0.10 -0.04 1.80 2.05 1hg0B1 ARG 275 HG2 0.15 -0.14 -0.09 -0.04 1.67 1.55 1hg0B1 ARG 275 HG3 0.03 -0.00 -0.09 -0.04 1.67 1.57 1hg0B1 ARG 275 HD2 0.09 0.17 0.02 -0.04 3.22 3.46 1hg0B1 ARG 275 HD3 -0.03 -0.09 -0.06 -0.04 3.22 3.00 1hg0B1 SER 276 H 0.02 0.57 0.33 -0.55 8.46 8.85 1hg0B1 SER 276 HA 0.01 0.17 0.83 -0.75 4.49 4.75 1hg0B1 SER 276 HB2 0.04 -0.01 -0.16 -0.04 3.95 3.78 1hg0B1 SER 276 HB3 -0.02 -0.03 -0.07 -0.04 3.93 3.76 1hg0B1 THR 277 H -0.05 0.25 0.18 -0.55 8.28 8.12 1hg0B1 THR 277 HA -0.18 0.22 0.95 -0.75 4.39 4.62 1hg0B1 THR 277 HB -0.05 0.08 -0.16 -0.04 4.32 4.15 1hg0B1 THR 277 HG23 -0.03 0.00 -0.16 -0.04 1.22 0.99 1hg0B1 ARG 278 H -0.21 0.82 0.20 -0.55 8.46 8.71 1hg0B1 ARG 278 HA -0.11 0.09 0.68 -0.75 4.34 4.25 1hg0B1 ARG 278 HB2 -0.36 -0.04 0.11 -0.04 1.90 1.57 1hg0B1 ARG 278 HB3 -0.60 0.16 -0.06 -0.04 1.80 1.26 1hg0B1 ARG 278 HG2 -0.19 0.08 0.09 -0.04 1.67 1.62 1hg0B1 ARG 278 HG3 -0.09 -0.02 -0.33 -0.04 1.67 1.19 1hg0B1 ARG 278 HD2 -0.25 -0.03 0.03 -0.04 3.22 2.93 1hg0B1 ARG 278 HD3 -0.33 0.13 -0.03 -0.04 3.22 2.96 1hg0B1 THR 279 H -0.07 0.11 -0.06 -0.55 8.28 7.71 1hg0B1 THR 279 HA -0.02 0.06 0.39 -0.75 4.39 4.07 1hg0B1 THR 279 HB -0.02 0.02 0.05 -0.04 4.32 4.33 1hg0B1 THR 279 HG23 -0.04 0.00 0.11 -0.04 1.22 1.26 1hg0B1 GLY 280 H -0.02 0.12 -0.31 -0.55 8.43 7.67 1hg0B1 GLY 280 HA2 -0.00 0.00 0.26 -0.51 4.01 3.76 1hg0B1 GLY 280 HA3 -0.01 0.23 0.90 -0.51 4.01 4.61 1hg0B1 ASN 281 H -0.02 0.16 -0.11 -0.55 8.53 8.02 1hg0B1 ASN 281 HA -0.03 0.22 0.72 -0.75 4.76 4.91 1hg0B1 ASN 281 HB2 -0.03 -0.00 -0.12 -0.04 2.88 2.69 1hg0B1 ASN 281 HB3 -0.04 -0.07 0.06 -0.04 2.79 2.70 1hg0B1 ASN 281 HD21 -0.03 0.03 -0.15 -0.04 7.03 6.85 1hg0B1 ASN 281 HD22 -0.02 0.01 -0.25 -0.04 7.74 7.43 1hg0B1 GLY 282 H -0.04 0.11 0.10 -0.55 8.43 8.06 1hg0B1 GLY 282 HA2 -0.03 -0.00 0.31 -0.51 4.01 3.78 1hg0B1 GLY 282 HA3 -0.02 0.16 0.63 -0.51 4.01 4.27 1hg0B1 ILE 283 H -0.00 0.10 0.09 -0.55 8.25 7.89 1hg0B1 ILE 283 HA 0.04 0.33 0.57 -0.75 4.18 4.36 1hg0B1 ILE 283 HB 0.01 -0.05 0.05 -0.04 1.89 1.87 1hg0B1 ILE 283 HG12 0.00 -0.13 -0.12 -0.04 1.49 1.20 1hg0B1 ILE 283 HG13 0.01 0.02 -0.06 -0.04 1.21 1.14 1hg0B1 ILE 283 HG23 0.05 -0.01 -0.39 -0.04 0.93 0.54 1hg0B1 ILE 283 HD13 0.05 0.04 -0.21 -0.04 0.88 0.71 1hg0B1 VAL 284 H 0.05 0.60 0.12 -0.55 8.24 8.45 1hg0B1 VAL 284 HA 0.02 0.06 0.63 -0.75 4.13 4.09 1hg0B1 VAL 284 HB 0.04 -0.13 0.19 -0.04 2.12 2.18 1hg0B1 VAL 284 HG13 0.03 0.08 -0.25 -0.04 0.97 0.79 1hg0B1 VAL 284 HG23 0.01 -0.03 -0.24 -0.04 0.95 0.65 1hg0B1 PRO 285 HA 0.06 0.09 0.54 -0.51 4.44 4.62 1hg0B1 PRO 285 HB2 0.02 0.10 0.03 -0.04 2.28 2.39 1hg0B1 PRO 285 HB3 0.02 -0.04 0.03 -0.04 2.02 1.99 1hg0B1 PRO 285 HG2 0.02 0.06 -0.00 -0.04 2.03 2.06 1hg0B1 PRO 285 HG3 0.01 -0.03 0.05 -0.04 2.03 2.02 1hg0B1 PRO 285 HD2 0.02 0.07 0.22 -0.04 3.68 3.95 1hg0B1 PRO 285 HD3 0.02 0.33 0.13 -0.04 3.65 4.09 1hg0B1 PRO 286 HA 0.05 0.06 0.40 -0.51 4.44 4.43 1hg0B1 PRO 286 HB2 0.03 -0.03 0.02 -0.04 2.28 2.26 1hg0B1 PRO 286 HB3 0.06 0.03 0.06 -0.04 2.02 2.13 1hg0B1 PRO 286 HG2 0.04 0.03 0.07 -0.04 2.03 2.14 1hg0B1 PRO 286 HG3 0.15 0.07 0.08 -0.04 2.03 2.29 1hg0B1 PRO 286 HD2 0.03 0.07 0.19 -0.04 3.68 3.93 1hg0B1 PRO 286 HD3 0.08 0.13 0.22 -0.04 3.65 4.04 1hg0B1 ASP 287 H 0.02 0.27 0.04 -0.55 8.40 8.18 1hg0B1 ASP 287 HA 0.01 0.08 0.70 -0.75 4.63 4.67 1hg0B1 ASP 287 HB2 0.01 0.20 -0.18 -0.04 2.71 2.70 1hg0B1 ASP 287 HB3 0.01 0.05 0.14 -0.04 2.70 2.85 1hg0B1 GLU 288 H 0.01 0.17 0.05 -0.55 8.60 8.29 1hg0B1 GLU 288 HA 0.00 0.14 0.37 -0.75 4.29 4.05 1hg0B1 GLU 288 HB2 -0.00 0.03 0.03 -0.04 2.09 2.11 1hg0B1 GLU 288 HB3 0.00 0.02 0.09 -0.04 1.99 2.06 1hg0B1 GLU 288 HG2 0.00 -0.03 0.03 -0.04 2.34 2.29 1hg0B1 GLU 288 HG3 0.00 0.02 0.01 -0.04 2.34 2.33 1hg0B1 GLU 289 H -0.00 -0.03 -0.47 -0.55 8.60 7.56 1hg0B1 GLU 289 HA -0.01 0.16 0.67 -0.75 4.29 4.36 1hg0B1 GLU 289 HB2 -0.01 -0.01 -0.00 -0.04 2.09 2.02 1hg0B1 GLU 289 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.99 1hg0B1 GLU 289 HG2 -0.01 0.02 -0.02 -0.04 2.34 2.29 1hg0B1 GLU 289 HG3 -0.00 -0.05 -0.15 -0.04 2.34 2.09 1hg0B1 LEU 290 H -0.01 0.40 -0.11 -0.55 8.37 8.10 1hg0B1 LEU 290 HA -0.03 0.13 0.93 -0.75 4.35 4.62 1hg0B1 LEU 290 HB2 -0.01 0.07 0.08 -0.04 1.64 1.74 1hg0B1 LEU 290 HB3 -0.02 0.09 0.04 -0.04 1.64 1.71 1hg0B1 LEU 290 HG -0.01 -0.15 -0.16 -0.04 1.64 1.28 1hg0B1 LEU 290 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 1hg0B1 LEU 290 HD23 -0.03 -0.00 -0.01 -0.04 0.89 0.81 1hg0B1 PRO 291 HA -0.03 0.11 0.51 -0.51 4.44 4.52 1hg0B1 PRO 291 HB2 -0.05 -0.00 -0.01 -0.04 2.28 2.17 1hg0B1 PRO 291 HB3 -0.05 0.02 0.06 -0.04 2.02 2.01 1hg0B1 PRO 291 HG2 -0.09 0.01 -0.02 -0.04 2.03 1.89 1hg0B1 PRO 291 HG3 -0.09 -0.00 0.04 -0.04 2.03 1.93 1hg0B1 PRO 291 HD2 -0.06 0.03 0.21 -0.04 3.68 3.82 1hg0B1 PRO 291 HD3 -0.05 0.15 0.16 -0.04 3.65 3.87 1hg0B1 GLY 292 H -0.03 0.03 0.14 -0.55 8.43 8.02 1hg0B1 GLY 292 HA2 -0.03 -0.03 0.44 -0.51 4.01 3.88 1hg0B1 GLY 292 HA3 -0.03 0.07 0.45 -0.51 4.01 4.00 1hg0B1 LEU 293 H -0.06 0.59 0.38 -0.55 8.37 8.74 1hg0B1 LEU 293 HA -0.05 0.12 0.72 -0.75 4.35 4.39 1hg0B1 LEU 293 HB2 -0.20 -0.01 0.06 -0.04 1.64 1.45 1hg0B1 LEU 293 HB3 -0.15 0.01 0.13 -0.04 1.64 1.59 1hg0B1 LEU 293 HG -0.06 0.00 0.04 -0.04 1.64 1.58 1hg0B1 LEU 293 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.75 1hg0B1 LEU 293 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.73 1hg0B1 VAL 294 H -0.09 0.16 0.19 -0.55 8.24 7.95 1hg0B1 VAL 294 HA -0.04 0.29 0.99 -0.75 4.13 4.63 1hg0B1 VAL 294 HB 0.03 0.16 -0.04 -0.04 2.12 2.23 1hg0B1 VAL 294 HG13 0.02 0.04 -0.27 -0.04 0.97 0.72 1hg0B1 VAL 294 HG23 0.06 -0.04 -0.04 -0.04 0.95 0.89 1hg0B1 SER 295 H -0.01 0.46 0.19 -0.55 8.46 8.56 1hg0B1 SER 295 HA -0.00 0.16 0.65 -0.75 4.49 4.55 1hg0B1 SER 295 HB2 0.25 -0.06 0.07 -0.04 3.95 4.16 1hg0B1 SER 295 HB3 0.02 -0.08 -0.21 -0.04 3.93 3.62 1hg0B1 ASP 296 H 0.09 0.16 -0.21 -0.55 8.40 7.90 1hg0B1 ASP 296 HA 0.18 0.03 0.29 -0.75 4.63 4.38 1hg0B1 ASP 296 HB2 0.19 0.04 -0.33 -0.04 2.71 2.57 1hg0B1 ASP 296 HB3 0.19 0.12 0.28 -0.04 2.70 3.25 1hg0B1 SER 297 H 0.12 0.21 0.19 -0.55 8.46 8.44 1hg0B1 SER 297 HA 0.04 0.50 0.89 -0.75 4.49 5.16 1hg0B1 SER 297 HB2 -0.00 -0.11 0.10 -0.04 3.95 3.90 1hg0B1 SER 297 HB3 0.03 -0.08 -0.09 -0.04 3.93 3.75 1hg0B1 LEU 298 H 0.11 0.57 -0.14 -0.55 8.37 8.36 1hg0B1 LEU 298 HA -0.08 0.08 0.60 -0.75 4.35 4.19 1hg0B1 LEU 298 HB2 0.23 0.20 0.17 -0.04 1.64 2.20 1hg0B1 LEU 298 HB3 0.13 -0.14 -0.09 -0.04 1.64 1.49 1hg0B1 LEU 298 HG -0.02 -0.07 -0.07 -0.04 1.64 1.44 1hg0B1 LEU 298 HD13 -0.21 -0.03 -0.04 -0.04 0.93 0.61 1hg0B1 LEU 298 HD23 0.10 0.03 0.05 -0.04 0.89 1.02 1hg0B1 ASN 299 H -0.06 0.14 0.17 -0.55 8.53 8.24 1hg0B1 ASN 299 HA 0.02 0.17 0.49 -0.75 4.76 4.70 1hg0B1 ASN 299 HB2 0.04 0.03 0.13 -0.04 2.88 3.04 1hg0B1 ASN 299 HB3 0.01 0.16 0.07 -0.04 2.79 2.99 1hg0B1 ASN 299 HD21 0.23 -0.03 0.00 -0.04 7.03 7.19 1hg0B1 ASN 299 HD22 0.08 0.12 0.02 -0.04 7.74 7.92 1hg0B1 PRO 300 HA 0.07 0.08 0.26 -0.51 4.44 4.35 1hg0B1 PRO 300 HB2 0.05 0.00 0.02 -0.04 2.28 2.31 1hg0B1 PRO 300 HB3 0.04 0.02 -0.07 -0.04 2.02 1.97 1hg0B1 PRO 300 HG2 -0.01 0.06 0.03 -0.04 2.03 2.07 1hg0B1 PRO 300 HG3 -0.03 -0.03 -0.02 -0.04 2.03 1.91 1hg0B1 PRO 300 HD2 0.04 0.07 0.19 -0.04 3.68 3.93 1hg0B1 PRO 300 HD3 0.01 0.27 0.29 -0.04 3.65 4.18 1hg0B1 ALA 301 H 0.08 0.14 -0.22 -0.55 8.40 7.85 1hg0B1 ALA 301 HA 0.04 0.09 0.38 -0.75 4.34 4.10 1hg0B1 ALA 301 HB3 0.00 0.01 0.01 -0.04 1.41 1.39 1hg0B1 HIS 302 H 0.20 0.11 -0.19 -0.55 8.41 7.99 1hg0B1 HIS 302 HA 0.06 0.08 0.43 -0.75 4.63 4.45 1hg0B1 HIS 302 HB2 -0.12 -0.05 0.11 -0.04 3.26 3.16 1hg0B1 HIS 302 HB3 -0.46 0.05 -0.02 -0.04 3.20 2.74 1hg0B1 HIS 302 HD2 -1.16 -0.07 0.08 -0.04 6.97 5.77 1hg0B1 HIS 302 HE1 -0.05 0.06 0.01 -0.04 7.75 7.72 1hg0B1 ALA 303 H 0.17 0.71 -0.23 -0.55 8.40 8.51 1hg0B1 ALA 303 HA 0.32 0.05 0.30 -0.75 4.34 4.25 1hg0B1 ALA 303 HB3 0.25 0.03 -0.15 -0.04 1.41 1.50 1hg0B1 ARG 304 H 0.13 0.45 -0.40 -0.55 8.46 8.09 1hg0B1 ARG 304 HA 0.13 0.02 0.30 -0.75 4.34 4.03 1hg0B1 ARG 304 HB2 0.08 -0.01 -0.02 -0.04 1.90 1.91 1hg0B1 ARG 304 HB3 0.08 0.11 0.07 -0.04 1.80 2.02 1hg0B1 ARG 304 HG2 0.07 -0.01 -0.31 -0.04 1.67 1.37 1hg0B1 ARG 304 HG3 0.07 -0.03 -0.10 -0.04 1.67 1.57 1hg0B1 ARG 304 HD2 0.05 -0.06 -0.13 -0.04 3.22 3.03 1hg0B1 ARG 304 HD3 0.04 -0.05 -0.05 -0.04 3.22 3.12 1hg0B1 ILE 305 H 0.12 0.35 -0.26 -0.55 8.25 7.91 1hg0B1 ILE 305 HA 0.09 -0.00 0.36 -0.75 4.18 3.87 1hg0B1 ILE 305 HB 0.24 0.17 0.15 -0.04 1.89 2.41 1hg0B1 ILE 305 HG12 0.07 0.20 0.12 -0.04 1.49 1.85 1hg0B1 ILE 305 HG13 0.10 0.04 0.08 -0.04 1.21 1.38 1hg0B1 ILE 305 HG23 -0.05 -0.02 -0.24 -0.04 0.93 0.58 1hg0B1 ILE 305 HD13 0.12 -0.04 -0.07 -0.04 0.88 0.84 1hg0B1 LEU 306 H 0.08 0.53 -0.11 -0.55 8.37 8.32 1hg0B1 LEU 306 HA -0.47 0.02 0.32 -0.75 4.35 3.47 1hg0B1 LEU 306 HB2 -0.12 0.02 0.03 -0.04 1.64 1.52 1hg0B1 LEU 306 HB3 -0.36 0.07 0.04 -0.04 1.64 1.35 1hg0B1 LEU 306 HG -0.54 -0.02 -0.28 -0.04 1.64 0.77 1hg0B1 LEU 306 HD13 -0.64 -0.02 -0.03 -0.04 0.93 0.21 1hg0B1 LEU 306 HD23 -1.02 0.00 -0.19 -0.04 0.89 -0.36 1hg0B1 LEU 307 H 0.19 0.59 -0.27 -0.55 8.37 8.33 1hg0B1 LEU 307 HA 0.30 0.00 0.33 -0.75 4.35 4.23 1hg0B1 LEU 307 HB2 0.35 0.05 -0.01 -0.04 1.64 1.98 1hg0B1 LEU 307 HB3 0.16 0.06 -0.01 -0.04 1.64 1.81 1hg0B1 LEU 307 HG 0.11 0.01 -0.27 -0.04 1.64 1.46 1hg0B1 LEU 307 HD13 0.14 -0.01 -0.09 -0.04 0.93 0.92 1hg0B1 LEU 307 HD23 0.07 -0.01 -0.22 -0.04 0.89 0.69 1hg0B1 MET 308 H 0.05 0.55 -0.23 -0.55 8.47 8.30 1hg0B1 MET 308 HA 0.06 0.02 0.34 -0.75 4.52 4.19 1hg0B1 MET 308 HB2 0.05 0.14 0.15 -0.04 2.15 2.45 1hg0B1 MET 308 HB3 0.08 -0.07 -0.04 -0.04 2.03 1.96 1hg0B1 MET 308 HG2 0.06 0.01 -0.02 -0.04 2.63 2.64 1hg0B1 MET 308 HG3 0.07 0.24 0.03 -0.04 2.56 2.86 1hg0B1 MET 308 HE3 0.12 -0.02 -0.06 -0.04 2.10 2.10 1hg0B1 LEU 309 H -0.17 0.47 -0.17 -0.55 8.37 7.96 1hg0B1 LEU 309 HA -0.11 0.04 0.42 -0.75 4.35 3.95 1hg0B1 LEU 309 HB2 -0.78 0.09 0.10 -0.04 1.64 1.01 1hg0B1 LEU 309 HB3 -0.84 -0.04 -0.07 -0.04 1.64 0.65 1hg0B1 LEU 309 HG -0.41 0.02 -0.02 -0.04 1.64 1.19 1hg0B1 LEU 309 HD13 -1.05 -0.01 -0.11 -0.04 0.93 -0.28 1hg0B1 LEU 309 HD23 -0.43 -0.01 -0.10 -0.04 0.89 0.31 1hg0B1 ALA 310 H -0.08 0.62 -0.14 -0.55 8.40 8.25 1hg0B1 ALA 310 HA 0.38 -0.02 0.37 -0.75 4.34 4.32 1hg0B1 ALA 310 HB3 0.33 0.01 0.06 -0.04 1.41 1.77 1hg0B1 LEU 311 H 0.10 0.48 -0.31 -0.55 8.37 8.10 1hg0B1 LEU 311 HA 0.11 0.30 0.58 -0.75 4.35 4.59 1hg0B1 LEU 311 HB2 0.07 0.12 0.10 -0.04 1.64 1.90 1hg0B1 LEU 311 HB3 0.07 -0.07 0.11 -0.04 1.64 1.70 1hg0B1 LEU 311 HG 0.11 0.07 0.03 -0.04 1.64 1.80 1hg0B1 LEU 311 HD13 0.07 -0.04 -0.18 -0.04 0.93 0.74 1hg0B1 LEU 311 HD23 0.07 0.03 0.07 -0.04 0.89 1.02 1hg0B1 THR 312 H 0.08 0.43 -0.47 -0.55 8.28 7.77 1hg0B1 THR 312 HA 0.06 0.07 0.64 -0.75 4.39 4.41 1hg0B1 THR 312 HB 0.05 -0.06 0.16 -0.04 4.32 4.43 1hg0B1 THR 312 HG23 0.05 0.03 0.08 -0.04 1.22 1.34 1hg0B1 ARG 313 H 0.13 0.31 -0.29 -0.55 8.46 8.05 1hg0B1 ARG 313 HA 0.06 0.20 1.02 -0.75 4.34 4.87 1hg0B1 ARG 313 HB2 0.19 0.04 0.06 -0.04 1.90 2.15 1hg0B1 ARG 313 HB3 0.07 -0.08 0.05 -0.04 1.80 1.81 1hg0B1 ARG 313 HG2 0.04 0.05 -0.16 -0.04 1.67 1.56 1hg0B1 ARG 313 HG3 0.14 0.13 -0.11 -0.04 1.67 1.79 1hg0B1 ARG 313 HD2 -0.19 -0.06 -0.17 -0.04 3.22 2.76 1hg0B1 ARG 313 HD3 -0.24 -0.06 -0.11 -0.04 3.22 2.78 1hg0B1 THR 314 H 0.12 0.50 0.24 -0.55 8.28 8.59 1hg0B1 THR 314 HA 0.05 0.11 0.54 -0.75 4.39 4.33 1hg0B1 THR 314 HB 0.05 0.19 -0.14 -0.04 4.32 4.38 1hg0B1 THR 314 HG23 0.09 0.02 -0.17 -0.04 1.22 1.12 1hg0B1 SER 315 H 0.03 0.07 0.17 -0.55 8.46 8.19 1hg0B1 SER 315 HA 0.05 0.22 0.68 -0.75 4.49 4.69 1hg0B1 SER 315 HB2 0.03 0.07 0.17 -0.04 3.95 4.17 1hg0B1 SER 315 HB3 0.04 0.09 -0.06 -0.04 3.93 3.95 1hg0B1 ASP 316 H 0.02 0.03 0.07 -0.55 8.40 7.98 1hg0B1 ASP 316 HA 0.00 0.21 0.63 -0.75 4.63 4.72 1hg0B1 ASP 316 HB2 -0.00 0.08 0.15 -0.04 2.71 2.90 1hg0B1 ASP 316 HB3 -0.03 -0.03 0.20 -0.04 2.70 2.80 1hg0B1 PRO 317 HA -0.00 0.08 0.37 -0.51 4.44 4.37 1hg0B1 PRO 317 HB2 -0.01 0.04 -0.02 -0.04 2.28 2.25 1hg0B1 PRO 317 HB3 -0.01 0.09 0.10 -0.04 2.02 2.17 1hg0B1 PRO 317 HG2 -0.00 -0.08 0.13 -0.04 2.03 2.03 1hg0B1 PRO 317 HG3 -0.00 0.11 0.11 -0.04 2.03 2.21 1hg0B1 PRO 317 HD2 -0.00 0.03 0.35 -0.04 3.68 4.02 1hg0B1 PRO 317 HD3 0.00 0.41 0.31 -0.04 3.65 4.34 1hg0B1 LYS 318 H -0.01 0.14 -0.17 -0.55 8.42 7.83 1hg0B1 LYS 318 HA -0.00 0.10 0.39 -0.75 4.32 4.06 1hg0B1 LYS 318 HB2 -0.02 -0.05 0.06 -0.04 1.87 1.83 1hg0B1 LYS 318 HB3 -0.01 0.06 -0.08 -0.04 1.79 1.72 1hg0B1 LYS 318 HG2 -0.00 -0.01 0.03 -0.04 1.46 1.43 1hg0B1 LYS 318 HG3 -0.00 0.03 0.02 -0.04 1.46 1.46 1hg0B1 LYS 318 HD2 0.01 0.02 0.00 -0.04 1.69 1.67 1hg0B1 LYS 318 HD3 0.01 0.00 0.03 -0.04 1.68 1.68 1hg0B1 LYS 318 HE2 0.00 0.01 -0.00 -0.04 2.99 2.96 1hg0B1 LYS 318 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 1hg0B1 VAL 319 H -0.06 0.12 -0.27 -0.55 8.24 7.48 1hg0B1 VAL 319 HA -0.16 0.09 0.45 -0.75 4.13 3.76 1hg0B1 VAL 319 HB -0.15 0.09 0.08 -0.04 2.12 2.10 1hg0B1 VAL 319 HG13 -0.49 0.02 -0.12 -0.04 0.97 0.33 1hg0B1 VAL 319 HG23 -0.07 -0.01 0.01 -0.04 0.95 0.84 1hg0B1 ILE 320 H -0.08 0.48 -0.11 -0.55 8.25 8.00 1hg0B1 ILE 320 HA 0.02 0.06 0.37 -0.75 4.18 3.87 1hg0B1 ILE 320 HB 0.04 0.03 0.01 -0.04 1.89 1.93 1hg0B1 ILE 320 HG12 0.21 0.01 -0.14 -0.04 1.49 1.53 1hg0B1 ILE 320 HG13 0.03 0.03 -0.18 -0.04 1.21 1.05 1hg0B1 ILE 320 HG23 0.23 -0.00 -0.19 -0.04 0.93 0.93 1hg0B1 ILE 320 HD13 0.09 0.04 -0.27 -0.04 0.88 0.70 1hg0B1 GLN 321 H -0.00 0.59 -0.21 -0.55 8.47 8.31 1hg0B1 GLN 321 HA -0.01 0.04 0.39 -0.75 4.36 4.03 1hg0B1 GLN 321 HB2 -0.01 0.01 0.12 -0.04 2.15 2.22 1hg0B1 GLN 321 HB3 0.03 0.10 0.11 -0.04 2.02 2.22 1hg0B1 GLN 321 HG2 0.07 -0.03 -0.00 -0.04 2.40 2.40 1hg0B1 GLN 321 HG3 0.04 0.01 -0.17 -0.04 2.39 2.23 1hg0B1 GLN 321 HE21 -0.23 0.49 0.19 -0.04 6.97 7.38 1hg0B1 GLN 321 HE22 -0.52 -0.06 0.13 -0.04 7.69 7.19 1hg0B1 GLU 322 H 0.01 0.33 -0.34 -0.55 8.60 8.05 1hg0B1 GLU 322 HA 0.20 0.03 0.42 -0.75 4.29 4.19 1hg0B1 GLU 322 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 1hg0B1 GLU 322 HB3 -0.02 0.13 0.13 -0.04 1.99 2.18 1hg0B1 GLU 322 HG2 0.05 -0.02 -0.02 -0.04 2.34 2.31 1hg0B1 GLU 322 HG3 0.13 -0.00 -0.14 -0.04 2.34 2.29 1hg0B1 TYR 323 H 0.13 0.43 -0.23 -0.55 8.29 8.07 1hg0B1 TYR 323 HA 0.37 0.00 0.38 -0.75 4.56 4.56 1hg0B1 TYR 323 HB2 0.27 0.26 0.17 -0.04 3.06 3.72 1hg0B1 TYR 323 HB3 0.18 -0.06 -0.05 -0.04 2.98 3.01 1hg0B1 TYR 323 HD2 0.26 -0.03 -0.02 -0.04 7.15 7.33 1hg0B1 TYR 323 HE2 0.07 0.02 -0.04 -0.04 6.85 6.86 1hg0B1 PHE 324 H 0.49 0.44 -0.23 -0.55 8.34 8.49 1hg0B1 PHE 324 HA 0.16 -0.00 0.37 -0.75 4.62 4.40 1hg0B1 PHE 324 HB2 -0.10 0.15 0.14 -0.04 3.15 3.29 1hg0B1 PHE 324 HB3 -0.08 -0.03 -0.04 -0.04 3.06 2.87 1hg0B1 PHE 324 HD2 0.08 0.21 0.03 -0.04 7.28 7.56 1hg0B1 PHE 324 HE2 0.09 -0.06 -0.11 -0.04 7.38 7.26 1hg0B1 PHE 324 HZ 0.07 0.06 -0.06 -0.04 7.32 7.35 1hg0B1 HIS 325 H 0.19 0.32 -0.50 -0.55 8.41 7.88 1hg0B1 HIS 325 HA 0.14 0.08 0.73 -0.75 4.63 4.82 1hg0B1 HIS 325 HB2 0.11 0.09 0.10 -0.04 3.26 3.52 1hg0B1 HIS 325 HB3 0.08 -0.06 0.11 -0.04 3.20 3.29 1hg0B1 HIS 325 HD2 0.08 -0.04 -0.08 -0.04 6.97 6.88 1hg0B1 HIS 325 HE1 0.07 -0.05 -0.02 -0.04 7.75 7.71 1hg0B1 THR 326 H 0.22 0.32 -0.17 -0.55 8.28 8.09 1hg0B1 THR 326 HA 0.04 0.23 1.11 -0.75 4.39 5.02 1hg0B1 THR 326 HB -0.16 -0.09 0.09 -0.04 4.32 4.12 1hg0B1 THR 326 HG23 0.08 0.02 -0.11 -0.04 1.22 1.16 1hg0B1 TYR 327 H 0.24 0.47 0.07 -0.55 8.29 8.51 1hg0B1 TYR 327 HA 0.09 0.26 0.84 -0.75 4.56 5.01 1hg0B1 TYR 327 HB2 0.01 0.08 0.05 -0.04 3.06 3.16 1hg0B1 TYR 327 HB3 0.04 -0.02 0.03 -0.04 2.98 2.99 1hg0B1 TYR 327 HD2 0.10 0.12 -0.04 -0.04 7.15 7.30 1hg0B1 TYR 327 HE2 0.01 -0.02 -0.09 -0.04 6.85 6.71