============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 31 0.900 -5.367 9.705 12.297 -99.200 -91.000 TYR 40 0.840 -10.464 10.662 -0.093 -99.200 -91.000 TRP 42 1.040 -7.392 3.602 0.508 -99.200 -91.000 TRP6 42 1.020 -6.156 3.345 2.501 -99.200 -91.000 TYR 43 0.840 -2.745 3.259 -5.703 -99.200 -91.000 TYR 57 0.840 -15.503 8.999 -3.569 -99.200 -91.000 TYR 70 0.840 -13.554 -3.675 -4.697 -99.200 -91.000 TYR 77 0.840 -15.583 4.468 5.791 -99.200 -91.000 TYR 95 0.840 -3.330 -3.672 2.937 -99.200 -91.000 PHE 113 1.000 -5.491 -4.797 8.251 -99.200 -91.000 HIS 116 0.900 -5.057 -10.719 16.850 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dksA15 GLY 1 HA2 0.00 -0.05 0.19 -0.51 4.01 3.64 2dksA15 GLY 1 HA3 0.01 -0.03 0.21 -0.51 4.01 3.68 2dksA15 SER 2 H 0.01 0.05 0.07 -0.55 8.46 8.04 2dksA15 SER 2 HA 0.01 0.05 0.37 -0.75 4.49 4.17 2dksA15 SER 2 HB2 0.01 0.01 0.06 -0.04 3.95 3.99 2dksA15 SER 2 HB3 0.01 -0.10 0.03 -0.04 3.93 3.82 2dksA15 SER 3 H 0.01 -0.01 0.18 -0.55 8.46 8.10 2dksA15 SER 3 HA 0.01 0.23 0.85 -0.75 4.49 4.83 2dksA15 SER 3 HB2 0.02 -0.09 0.19 -0.04 3.95 4.02 2dksA15 SER 3 HB3 0.01 0.11 0.00 -0.04 3.93 4.02 2dksA15 GLY 4 H 0.01 -0.05 0.15 -0.55 8.43 7.99 2dksA15 GLY 4 HA2 -0.01 -0.02 0.31 -0.51 4.01 3.79 2dksA15 GLY 4 HA3 -0.00 0.15 0.51 -0.51 4.01 4.16 2dksA15 SER 5 H -0.01 0.14 0.15 -0.55 8.46 8.20 2dksA15 SER 5 HA 0.00 0.23 0.93 -0.75 4.49 4.91 2dksA15 SER 5 HB2 -0.01 0.03 -0.02 -0.04 3.95 3.91 2dksA15 SER 5 HB3 -0.02 -0.01 -0.04 -0.04 3.93 3.82 2dksA15 SER 6 H 0.00 0.35 0.04 -0.55 8.46 8.31 2dksA15 SER 6 HA -0.00 -0.01 0.47 -0.75 4.49 4.20 2dksA15 SER 6 HB2 0.00 -0.06 0.00 -0.04 3.95 3.85 2dksA15 SER 6 HB3 -0.00 0.16 -0.14 -0.04 3.93 3.91 2dksA15 GLY 7 H 0.00 0.08 0.08 -0.55 8.43 8.05 2dksA15 GLY 7 HA2 0.00 0.00 0.31 -0.51 4.01 3.82 2dksA15 GLY 7 HA3 0.00 -0.02 0.37 -0.51 4.01 3.86 2dksA15 THR 8 H 0.00 0.03 0.19 -0.55 8.28 7.96 2dksA15 THR 8 HA 0.01 -0.08 0.41 -0.75 4.39 3.97 2dksA15 THR 8 HB 0.01 0.08 0.04 -0.04 4.32 4.40 2dksA15 THR 8 HG23 0.00 -0.02 0.10 -0.04 1.22 1.27 2dksA15 ALA 9 H 0.01 -0.01 0.23 -0.55 8.40 8.08 2dksA15 ALA 9 HA 0.01 0.17 0.77 -0.75 4.34 4.54 2dksA15 ALA 9 HB3 0.02 -0.01 0.07 -0.04 1.41 1.45 2dksA15 GLN 10 H 0.02 0.20 0.13 -0.55 8.47 8.27 2dksA15 GLN 10 HA 0.01 0.03 0.57 -0.75 4.36 4.22 2dksA15 GLN 10 HB2 0.01 0.02 0.03 -0.04 2.15 2.17 2dksA15 GLN 10 HB3 0.01 0.12 -0.23 -0.04 2.02 1.87 2dksA15 GLN 10 HG2 0.02 -0.07 -0.01 -0.04 2.40 2.31 2dksA15 GLN 10 HG3 0.02 0.04 -0.22 -0.04 2.39 2.19 2dksA15 GLN 10 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 2dksA15 GLN 10 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.63 2dksA15 LEU 11 H 0.01 0.08 0.12 -0.55 8.37 8.03 2dksA15 LEU 11 HA 0.01 0.21 0.40 -0.75 4.35 4.20 2dksA15 LEU 11 HB2 -0.01 -0.08 0.13 -0.04 1.64 1.64 2dksA15 LEU 11 HB3 -0.02 0.07 0.09 -0.04 1.64 1.73 2dksA15 LEU 11 HG -0.06 0.05 -0.17 -0.04 1.64 1.42 2dksA15 LEU 11 HD13 -0.01 0.06 -0.17 -0.04 0.93 0.77 2dksA15 LEU 11 HD23 -0.04 -0.04 -0.11 -0.04 0.89 0.66 2dksA15 THR 12 H 0.02 0.35 0.33 -0.55 8.28 8.44 2dksA15 THR 12 HA 0.01 0.18 0.92 -0.75 4.39 4.75 2dksA15 THR 12 HB 0.05 0.11 -0.02 -0.04 4.32 4.42 2dksA15 THR 12 HG23 0.17 -0.02 -0.10 -0.04 1.22 1.23 2dksA15 ILE 13 H 0.02 0.24 0.14 -0.55 8.25 8.11 2dksA15 ILE 13 HA -0.18 0.23 0.87 -0.75 4.18 4.35 2dksA15 ILE 13 HB 0.06 -0.08 -0.05 -0.04 1.89 1.78 2dksA15 ILE 13 HG12 0.01 0.12 -0.04 -0.04 1.49 1.53 2dksA15 ILE 13 HG13 -0.06 0.03 -0.61 -0.04 1.21 0.54 2dksA15 ILE 13 HG23 0.15 -0.01 -0.23 -0.04 0.93 0.79 2dksA15 ILE 13 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.70 2dksA15 GLU 14 H -0.15 0.41 0.07 -0.55 8.60 8.39 2dksA15 GLU 14 HA 0.06 0.17 1.02 -0.75 4.29 4.79 2dksA15 GLU 14 HB2 0.19 -0.03 -0.08 -0.04 2.09 2.13 2dksA15 GLU 14 HB3 0.24 -0.05 0.07 -0.04 1.99 2.21 2dksA15 GLU 14 HG2 0.06 0.17 -0.28 -0.04 2.34 2.24 2dksA15 GLU 14 HG3 0.07 0.01 0.04 -0.04 2.34 2.41 2dksA15 ALA 15 H 0.05 0.20 0.12 -0.55 8.40 8.21 2dksA15 ALA 15 HA -0.09 0.01 0.34 -0.75 4.34 3.85 2dksA15 ALA 15 HB3 0.01 0.03 0.00 -0.04 1.41 1.42 2dksA15 VAL 16 H -0.16 0.40 0.10 -0.55 8.24 8.03 2dksA15 VAL 16 HA -0.04 -0.08 0.72 -0.75 4.13 3.97 2dksA15 VAL 16 HB -0.09 0.04 0.23 -0.04 2.12 2.25 2dksA15 VAL 16 HG13 -0.05 -0.01 -0.09 -0.04 0.97 0.78 2dksA15 VAL 16 HG23 -0.01 0.01 -0.34 -0.04 0.95 0.56 2dksA15 PRO 17 HA -0.02 0.11 0.34 -0.51 4.44 4.36 2dksA15 PRO 17 HB2 0.02 -0.07 -0.06 -0.04 2.28 2.12 2dksA15 PRO 17 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 2dksA15 PRO 17 HG2 -0.04 -0.04 -0.18 -0.04 2.03 1.73 2dksA15 PRO 17 HG3 -0.03 0.05 0.05 -0.04 2.03 2.05 2dksA15 PRO 17 HD2 -0.13 0.23 0.48 -0.04 3.68 4.21 2dksA15 PRO 17 HD3 -0.07 0.09 0.27 -0.04 3.65 3.89 2dksA15 SER 18 H 0.02 0.12 0.10 -0.55 8.46 8.16 2dksA15 SER 18 HA 0.05 0.14 0.45 -0.75 4.49 4.38 2dksA15 SER 18 HB2 0.03 0.04 0.15 -0.04 3.95 4.13 2dksA15 SER 18 HB3 0.04 -0.01 0.07 -0.04 3.93 3.99 2dksA15 ASN 19 H 0.08 0.01 -0.23 -0.55 8.53 7.85 2dksA15 ASN 19 HA 0.21 0.37 0.77 -0.75 4.76 5.36 2dksA15 ASN 19 HB2 0.12 -0.08 0.03 -0.04 2.88 2.90 2dksA15 ASN 19 HB3 0.30 0.05 -0.06 -0.04 2.79 3.04 2dksA15 ASN 19 HD21 0.10 0.01 -0.15 -0.04 7.03 6.95 2dksA15 ASN 19 HD22 0.05 -0.01 -0.06 -0.04 7.74 7.68 2dksA15 ALA 20 H 0.15 0.29 0.04 -0.55 8.40 8.33 2dksA15 ALA 20 HA -0.04 0.18 0.78 -0.75 4.34 4.51 2dksA15 ALA 20 HB3 -0.04 -0.01 -0.09 -0.04 1.41 1.22 2dksA15 ALA 21 H -0.13 0.12 0.11 -0.55 8.40 7.95 2dksA15 ALA 21 HA -0.30 0.25 0.89 -0.75 4.34 4.43 2dksA15 ALA 21 HB3 -0.18 -0.02 0.06 -0.04 1.41 1.22 2dksA15 GLU 22 H -0.07 0.13 -0.06 -0.55 8.60 8.05 2dksA15 GLU 22 HA -0.01 0.13 0.12 -0.75 4.29 3.77 2dksA15 GLU 22 HB2 -0.02 -0.06 0.14 -0.04 2.09 2.10 2dksA15 GLU 22 HB3 -0.01 0.10 -0.02 -0.04 1.99 2.02 2dksA15 GLU 22 HG2 -0.00 0.05 0.14 -0.04 2.34 2.49 2dksA15 GLU 22 HG3 -0.01 -0.07 -0.04 -0.04 2.34 2.18 2dksA15 GLY 23 H -0.01 0.65 0.09 -0.55 8.43 8.62 2dksA15 GLY 23 HA2 -0.02 -0.01 0.43 -0.51 4.01 3.90 2dksA15 GLY 23 HA3 -0.02 0.13 0.68 -0.51 4.01 4.28 2dksA15 LYS 24 H -0.04 0.50 -0.56 -0.55 8.42 7.77 2dksA15 LYS 24 HA -0.04 0.09 0.47 -0.75 4.32 4.08 2dksA15 LYS 24 HB2 -0.06 0.02 0.06 -0.04 1.87 1.86 2dksA15 LYS 24 HB3 -0.06 -0.02 0.19 -0.04 1.79 1.86 2dksA15 LYS 24 HG2 -0.05 0.14 -0.13 -0.04 1.46 1.37 2dksA15 LYS 24 HG3 -0.07 -0.21 0.09 -0.04 1.46 1.22 2dksA15 LYS 24 HD2 -0.04 -0.00 0.01 -0.04 1.69 1.63 2dksA15 LYS 24 HD3 -0.04 -0.00 0.07 -0.04 1.68 1.67 2dksA15 LYS 24 HE2 -0.03 0.03 -0.08 -0.04 2.99 2.86 2dksA15 LYS 24 HE3 -0.03 0.05 -0.15 -0.04 2.99 2.81 2dksA15 GLU 25 H -0.07 0.16 0.21 -0.55 8.60 8.35 2dksA15 GLU 25 HA -0.11 0.28 1.03 -0.75 4.29 4.74 2dksA15 GLU 25 HB2 -0.09 -0.05 0.05 -0.04 2.09 1.96 2dksA15 GLU 25 HB3 -0.10 0.15 0.02 -0.04 1.99 2.01 2dksA15 GLU 25 HG2 -0.05 0.03 -0.03 -0.04 2.34 2.25 2dksA15 GLU 25 HG3 -0.05 -0.08 -0.10 -0.04 2.34 2.06 2dksA15 VAL 26 H -0.28 0.59 0.23 -0.55 8.24 8.22 2dksA15 VAL 26 HA -0.29 0.25 0.85 -0.75 4.13 4.19 2dksA15 VAL 26 HB -1.23 -0.06 -0.00 -0.04 2.12 0.78 2dksA15 VAL 26 HG13 -0.83 -0.00 -0.31 -0.04 0.97 -0.21 2dksA15 VAL 26 HG23 -0.31 0.02 -0.33 -0.04 0.95 0.30 2dksA15 LEU 27 H -0.24 0.84 0.21 -0.55 8.37 8.63 2dksA15 LEU 27 HA -0.32 0.10 0.85 -0.75 4.35 4.23 2dksA15 LEU 27 HB2 -0.24 -0.03 0.01 -0.04 1.64 1.35 2dksA15 LEU 27 HB3 -0.19 0.20 0.26 -0.04 1.64 1.87 2dksA15 LEU 27 HG -0.27 -0.03 -0.51 -0.04 1.64 0.79 2dksA15 LEU 27 HD13 -0.62 -0.01 -0.20 -0.04 0.93 0.06 2dksA15 LEU 27 HD23 -0.17 -0.01 -0.05 -0.04 0.89 0.62 2dksA15 LEU 28 H -0.34 0.63 0.20 -0.55 8.37 8.30 2dksA15 LEU 28 HA -0.12 0.08 0.54 -0.75 4.35 4.09 2dksA15 LEU 28 HB2 -0.34 -0.07 0.26 -0.04 1.64 1.45 2dksA15 LEU 28 HB3 0.12 0.07 -0.04 -0.04 1.64 1.75 2dksA15 LEU 28 HG -0.38 0.01 -0.11 -0.04 1.64 1.11 2dksA15 LEU 28 HD13 -0.19 -0.00 -0.02 -0.04 0.93 0.68 2dksA15 LEU 28 HD23 -0.01 -0.00 -0.33 -0.04 0.89 0.50 2dksA15 LEU 29 H -0.10 0.49 0.14 -0.55 8.37 8.36 2dksA15 LEU 29 HA -0.12 0.01 0.41 -0.75 4.35 3.90 2dksA15 LEU 29 HB2 -0.05 0.20 0.14 -0.04 1.64 1.89 2dksA15 LEU 29 HB3 -0.11 -0.01 -0.06 -0.04 1.64 1.41 2dksA15 LEU 29 HG -0.11 0.00 -0.08 -0.04 1.64 1.41 2dksA15 LEU 29 HD13 0.04 0.00 -0.03 -0.04 0.93 0.91 2dksA15 LEU 29 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.77 2dksA15 VAL 30 H -0.14 0.14 0.11 -0.55 8.24 7.81 2dksA15 VAL 30 HA -0.26 0.28 1.10 -0.75 4.13 4.50 2dksA15 VAL 30 HB -0.08 0.06 0.07 -0.04 2.12 2.13 2dksA15 VAL 30 HG13 -0.10 0.02 -0.02 -0.04 0.97 0.83 2dksA15 VAL 30 HG23 0.01 -0.04 -0.49 -0.04 0.95 0.39 2dksA15 HIS 31 H -0.24 0.56 0.18 -0.55 8.41 8.37 2dksA15 HIS 31 HA 0.01 0.17 0.95 -0.75 4.63 5.00 2dksA15 HIS 31 HB2 0.01 0.03 -0.04 -0.04 3.26 3.22 2dksA15 HIS 31 HB3 0.01 -0.04 0.09 -0.04 3.20 3.21 2dksA15 HIS 31 HD2 0.01 0.01 -0.18 -0.04 6.97 6.76 2dksA15 HIS 31 HE1 -0.01 0.02 -0.13 -0.04 7.75 7.58 2dksA15 ASN 32 H 0.11 0.15 0.15 -0.55 8.53 8.39 2dksA15 ASN 32 HA 0.05 0.04 0.30 -0.75 4.76 4.40 2dksA15 ASN 32 HB2 0.05 0.23 -0.26 -0.04 2.88 2.86 2dksA15 ASN 32 HB3 0.03 -0.08 -0.01 -0.04 2.79 2.70 2dksA15 ASN 32 HD21 0.06 0.58 0.04 -0.04 7.03 7.67 2dksA15 ASN 32 HD22 0.05 -0.00 0.01 -0.04 7.74 7.75 2dksA15 LEU 33 H 0.05 -0.05 -0.45 -0.55 8.37 7.38 2dksA15 LEU 33 HA 0.02 0.04 0.20 -0.75 4.35 3.85 2dksA15 LEU 33 HB2 0.05 -0.08 -0.00 -0.04 1.64 1.57 2dksA15 LEU 33 HB3 0.07 0.07 -0.07 -0.04 1.64 1.66 2dksA15 LEU 33 HG -0.00 -0.02 -0.21 -0.04 1.64 1.37 2dksA15 LEU 33 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 2dksA15 LEU 33 HD23 0.00 -0.02 -0.08 -0.04 0.89 0.76 2dksA15 PRO 34 HA 0.03 0.12 0.34 -0.51 4.44 4.42 2dksA15 PRO 34 HB2 0.03 -0.22 -0.03 -0.04 2.28 2.02 2dksA15 PRO 34 HB3 0.03 0.05 0.03 -0.04 2.02 2.09 2dksA15 PRO 34 HG2 0.09 0.03 -0.21 -0.04 2.03 1.90 2dksA15 PRO 34 HG3 0.07 0.04 -0.10 -0.04 2.03 2.00 2dksA15 PRO 34 HD2 0.08 0.12 0.06 -0.04 3.68 3.91 2dksA15 PRO 34 HD3 0.04 0.14 0.09 -0.04 3.65 3.88 2dksA15 GLN 35 H 0.02 0.01 0.08 -0.55 8.47 8.03 2dksA15 GLN 35 HA 0.03 0.25 0.71 -0.75 4.36 4.59 2dksA15 GLN 35 HB2 0.02 0.04 0.01 -0.04 2.15 2.18 2dksA15 GLN 35 HB3 0.02 0.05 0.05 -0.04 2.02 2.09 2dksA15 GLN 35 HG2 0.01 -0.06 0.14 -0.04 2.40 2.45 2dksA15 GLN 35 HG3 0.01 -0.02 0.06 -0.04 2.39 2.40 2dksA15 GLN 35 HE21 0.01 -0.02 0.02 -0.04 6.97 6.94 2dksA15 GLN 35 HE22 0.01 0.04 0.01 -0.04 7.69 7.70 2dksA15 ASP 36 H 0.02 -0.03 0.01 -0.55 8.40 7.85 2dksA15 ASP 36 HA 0.02 0.35 0.84 -0.75 4.63 5.08 2dksA15 ASP 36 HB2 -0.00 -0.19 0.23 -0.04 2.71 2.70 2dksA15 ASP 36 HB3 -0.01 0.05 0.08 -0.04 2.70 2.78 2dksA15 PRO 37 HA -0.01 0.20 0.41 -0.51 4.44 4.53 2dksA15 PRO 37 HB2 -0.23 -0.03 0.03 -0.04 2.28 2.01 2dksA15 PRO 37 HB3 0.22 0.03 -0.05 -0.04 2.02 2.18 2dksA15 PRO 37 HG2 0.03 0.02 0.02 -0.04 2.03 2.06 2dksA15 PRO 37 HG3 0.25 0.11 -0.08 -0.04 2.03 2.27 2dksA15 PRO 37 HD2 0.04 0.18 0.00 -0.04 3.68 3.86 2dksA15 PRO 37 HD3 0.07 0.16 -0.47 -0.04 3.65 3.37 2dksA15 ARG 38 H -0.06 0.33 0.51 -0.55 8.46 8.68 2dksA15 ARG 38 HA -0.11 -0.03 0.29 -0.75 4.34 3.74 2dksA15 ARG 38 HB2 -0.06 -0.11 -0.30 -0.04 1.90 1.40 2dksA15 ARG 38 HB3 -0.08 0.03 -0.17 -0.04 1.80 1.54 2dksA15 ARG 38 HG2 -0.08 -0.04 -0.02 -0.04 1.67 1.48 2dksA15 ARG 38 HG3 -0.06 -0.02 0.04 -0.04 1.67 1.59 2dksA15 ARG 38 HD2 -0.04 -0.02 -0.09 -0.04 3.22 3.02 2dksA15 ARG 38 HD3 -0.04 0.03 -0.12 -0.04 3.22 3.05 2dksA15 GLY 39 H -0.18 0.25 -0.38 -0.55 8.43 7.57 2dksA15 GLY 39 HA2 -0.45 -0.06 0.61 -0.51 4.01 3.60 2dksA15 GLY 39 HA3 -0.21 0.05 0.49 -0.51 4.01 3.83 2dksA15 TYR 40 H -0.18 0.33 0.32 -0.55 8.29 8.21 2dksA15 TYR 40 HA -0.01 0.17 0.93 -0.75 4.56 4.90 2dksA15 TYR 40 HB2 0.23 -0.05 0.09 -0.04 3.06 3.30 2dksA15 TYR 40 HB3 0.08 0.04 0.05 -0.04 2.98 3.11 2dksA15 TYR 40 HD2 0.18 0.02 -0.04 -0.04 7.15 7.27 2dksA15 TYR 40 HE2 0.13 -0.00 -0.07 -0.04 6.85 6.86 2dksA15 ASN 41 H 0.00 0.33 0.18 -0.55 8.53 8.50 2dksA15 ASN 41 HA 0.01 0.13 0.89 -0.75 4.76 5.03 2dksA15 ASN 41 HB2 0.10 0.09 0.07 -0.04 2.88 3.11 2dksA15 ASN 41 HB3 -0.10 -0.01 -0.00 -0.04 2.79 2.64 2dksA15 ASN 41 HD21 0.04 -0.02 -0.47 -0.04 7.03 6.54 2dksA15 ASN 41 HD22 0.02 -0.05 -0.19 -0.04 7.74 7.47 2dksA15 TRP 42 H 0.10 0.46 0.30 -0.55 7.97 8.28 2dksA15 TRP 42 HA -0.04 0.20 0.97 -0.75 4.62 5.00 2dksA15 TRP 42 HB2 -0.06 -0.06 0.12 -0.04 3.23 3.19 2dksA15 TRP 42 HB3 0.04 0.07 0.07 -0.04 3.23 3.36 2dksA15 TRP 42 HD1 0.01 -0.03 -0.14 -0.04 7.22 7.02 2dksA15 TRP 42 HE1 -0.04 -0.02 -0.49 -0.04 10.20 9.60 2dksA15 TRP 42 HE3 0.15 0.02 -0.15 -0.04 7.59 7.57 2dksA15 TRP 42 HZ2 -0.09 0.16 0.10 -0.04 7.44 7.56 2dksA15 TRP 42 HZ3 0.08 0.22 0.02 -0.04 7.13 7.41 2dksA15 TRP 42 HH2 -0.05 0.03 -0.02 -0.04 7.19 7.11 2dksA15 TYR 43 H 0.39 0.53 0.36 -0.55 8.29 9.02 2dksA15 TYR 43 HA 0.15 0.05 0.81 -0.75 4.56 4.81 2dksA15 TYR 43 HB2 0.06 -0.01 -0.05 -0.04 3.06 3.02 2dksA15 TYR 43 HB3 0.05 0.02 0.04 -0.04 2.98 3.05 2dksA15 TYR 43 HD2 0.03 0.19 -0.20 -0.04 7.15 7.13 2dksA15 TYR 43 HE2 0.01 0.02 -0.10 -0.04 6.85 6.73 2dksA15 LYS 44 H 0.18 0.34 0.22 -0.55 8.42 8.60 2dksA15 LYS 44 HA -0.14 0.23 1.13 -0.75 4.32 4.78 2dksA15 LYS 44 HB2 0.01 0.04 0.17 -0.04 1.87 2.05 2dksA15 LYS 44 HB3 -0.00 -0.06 0.29 -0.04 1.79 1.97 2dksA15 LYS 44 HG2 -0.17 -0.03 -0.01 -0.04 1.46 1.21 2dksA15 LYS 44 HG3 -0.42 0.07 0.14 -0.04 1.46 1.20 2dksA15 LYS 44 HD2 -0.01 0.01 0.04 -0.04 1.69 1.69 2dksA15 LYS 44 HD3 -0.03 -0.04 0.03 -0.04 1.68 1.59 2dksA15 LYS 44 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2dksA15 LYS 44 HE3 -0.13 0.04 -0.00 -0.04 2.99 2.86 2dksA15 GLY 45 H -0.09 0.46 0.16 -0.55 8.43 8.41 2dksA15 GLY 45 HA2 -0.05 0.06 0.30 -0.51 4.01 3.81 2dksA15 GLY 45 HA3 -0.01 0.15 0.76 -0.51 4.01 4.40 2dksA15 GLU 46 H -0.01 0.20 0.06 -0.55 8.60 8.31 2dksA15 GLU 46 HA 0.03 0.17 0.70 -0.75 4.29 4.44 2dksA15 GLU 46 HB2 -0.00 0.00 0.08 -0.04 2.09 2.13 2dksA15 GLU 46 HB3 0.01 0.03 0.19 -0.04 1.99 2.17 2dksA15 GLU 46 HG2 0.02 0.03 -0.00 -0.04 2.34 2.35 2dksA15 GLU 46 HG3 0.01 -0.05 -0.14 -0.04 2.34 2.13 2dksA15 THR 47 H 0.00 0.19 -0.53 -0.55 8.28 7.40 2dksA15 THR 47 HA -0.03 0.08 0.30 -0.75 4.39 3.99 2dksA15 THR 47 HB -0.03 0.16 0.06 -0.04 4.32 4.47 2dksA15 THR 47 HG23 -0.02 -0.01 -0.36 -0.04 1.22 0.78 2dksA15 VAL 48 H -0.10 0.16 -0.01 -0.55 8.24 7.75 2dksA15 VAL 48 HA -0.45 0.05 0.25 -0.75 4.13 3.22 2dksA15 VAL 48 HB -0.17 0.00 0.12 -0.04 2.12 2.03 2dksA15 VAL 48 HG13 -0.46 0.00 -0.17 -0.04 0.97 0.29 2dksA15 VAL 48 HG23 -0.14 0.02 -0.06 -0.04 0.95 0.73 2dksA15 ASP 49 H -0.33 0.22 0.10 -0.55 8.40 7.84 2dksA15 ASP 49 HA -0.09 0.17 0.92 -0.75 4.63 4.87 2dksA15 ASP 49 HB2 0.03 0.12 0.09 -0.04 2.71 2.90 2dksA15 ASP 49 HB3 0.03 -0.19 0.09 -0.04 2.70 2.59 2dksA15 ALA 50 H -0.08 0.28 0.01 -0.55 8.40 8.06 2dksA15 ALA 50 HA 0.18 0.11 0.34 -0.75 4.34 4.23 2dksA15 ALA 50 HB3 0.03 0.04 0.04 -0.04 1.41 1.47 2dksA15 ASN 51 H 0.03 0.05 -0.21 -0.55 8.53 7.86 2dksA15 ASN 51 HA 0.05 0.13 0.45 -0.75 4.76 4.65 2dksA15 ASN 51 HB2 0.03 -0.02 0.02 -0.04 2.88 2.87 2dksA15 ASN 51 HB3 0.03 0.06 0.04 -0.04 2.79 2.88 2dksA15 ASN 51 HD21 0.01 0.03 0.00 -0.04 7.03 7.03 2dksA15 ASN 51 HD22 0.01 0.01 0.01 -0.04 7.74 7.73 2dksA15 ARG 52 H 0.10 0.11 -0.46 -0.55 8.46 7.66 2dksA15 ARG 52 HA 0.08 0.21 0.76 -0.75 4.34 4.64 2dksA15 ARG 52 HB2 0.10 -0.00 0.21 -0.04 1.90 2.17 2dksA15 ARG 52 HB3 0.07 -0.03 0.32 -0.04 1.80 2.12 2dksA15 ARG 52 HG2 0.04 -0.16 -0.11 -0.04 1.67 1.40 2dksA15 ARG 52 HG3 0.02 0.12 0.10 -0.04 1.67 1.87 2dksA15 ARG 52 HD2 0.02 0.02 0.04 -0.04 3.22 3.26 2dksA15 ARG 52 HD3 0.04 0.09 -0.08 -0.04 3.22 3.22 2dksA15 ARG 53 H 0.17 0.30 -0.57 -0.55 8.46 7.81 2dksA15 ARG 53 HA 0.15 0.08 0.54 -0.75 4.34 4.36 2dksA15 ARG 53 HB2 0.30 0.01 0.18 -0.04 1.90 2.35 2dksA15 ARG 53 HB3 0.11 -0.02 0.18 -0.04 1.80 2.03 2dksA15 ARG 53 HG2 -0.05 -0.10 -0.36 -0.04 1.67 1.12 2dksA15 ARG 53 HG3 -0.22 0.05 -0.05 -0.04 1.67 1.41 2dksA15 ARG 53 HD2 0.07 0.02 -0.03 -0.04 3.22 3.25 2dksA15 ARG 53 HD3 0.01 0.01 -0.12 -0.04 3.22 3.08 2dksA15 ILE 54 H 0.02 0.25 0.24 -0.55 8.25 8.21 2dksA15 ILE 54 HA 0.12 0.11 0.18 -0.75 4.18 3.83 2dksA15 ILE 54 HB 0.12 -0.12 0.02 -0.04 1.89 1.88 2dksA15 ILE 54 HG12 0.15 0.12 0.03 -0.04 1.49 1.75 2dksA15 ILE 54 HG13 0.15 0.04 0.04 -0.04 1.21 1.40 2dksA15 ILE 54 HG23 0.16 0.07 -0.08 -0.04 0.93 1.03 2dksA15 ILE 54 HD13 0.31 -0.00 -0.20 -0.04 0.88 0.94 2dksA15 ILE 55 H -0.02 0.26 0.07 -0.55 8.25 8.02 2dksA15 ILE 55 HA -0.14 0.05 0.56 -0.75 4.18 3.90 2dksA15 ILE 55 HB -0.43 0.10 -0.25 -0.04 1.89 1.27 2dksA15 ILE 55 HG12 -0.11 -0.01 -0.25 -0.04 1.49 1.08 2dksA15 ILE 55 HG13 -0.26 -0.01 -0.11 -0.04 1.21 0.79 2dksA15 ILE 55 HG23 -0.03 -0.03 -0.21 -0.04 0.93 0.62 2dksA15 ILE 55 HD13 -0.58 0.01 -0.07 -0.04 0.88 0.19 2dksA15 GLY 56 H -0.05 0.40 0.08 -0.55 8.43 8.32 2dksA15 GLY 56 HA2 0.08 0.18 1.07 -0.51 4.01 4.84 2dksA15 GLY 56 HA3 0.01 0.06 0.36 -0.51 4.01 3.93 2dksA15 TYR 57 H 0.18 0.72 0.34 -0.55 8.29 8.97 2dksA15 TYR 57 HA 0.00 0.32 1.10 -0.75 4.56 5.23 2dksA15 TYR 57 HB2 0.05 0.01 -0.11 -0.04 3.06 2.97 2dksA15 TYR 57 HB3 0.16 -0.07 0.04 -0.04 2.98 3.06 2dksA15 TYR 57 HD2 0.08 0.01 -0.22 -0.04 7.15 6.99 2dksA15 TYR 57 HE2 0.02 0.04 -0.21 -0.04 6.85 6.65 2dksA15 VAL 58 H -0.51 0.78 0.27 -0.55 8.24 8.23 2dksA15 VAL 58 HA -0.43 0.18 1.19 -0.75 4.13 4.32 2dksA15 VAL 58 HB -0.23 -0.12 0.12 -0.04 2.12 1.85 2dksA15 VAL 58 HG13 -0.17 -0.01 0.04 -0.04 0.97 0.79 2dksA15 VAL 58 HG23 -0.12 0.05 -0.21 -0.04 0.95 0.62 2dksA15 ILE 59 H -0.48 0.43 0.27 -0.55 8.25 7.92 2dksA15 ILE 59 HA -0.28 0.10 0.52 -0.75 4.18 3.77 2dksA15 ILE 59 HB -0.18 0.12 0.07 -0.04 1.89 1.85 2dksA15 ILE 59 HG12 0.19 -0.01 0.01 -0.04 1.49 1.64 2dksA15 ILE 59 HG13 -0.27 -0.13 -0.02 -0.04 1.21 0.75 2dksA15 ILE 59 HG23 -0.00 -0.00 -0.03 -0.04 0.93 0.85 2dksA15 ILE 59 HD13 -0.31 0.02 -0.01 -0.04 0.88 0.54 2dksA15 SER 60 H -0.19 0.30 0.07 -0.55 8.46 8.08 2dksA15 SER 60 HA -0.07 0.10 0.42 -0.75 4.49 4.19 2dksA15 SER 60 HB2 -0.08 0.00 0.14 -0.04 3.95 3.97 2dksA15 SER 60 HB3 -0.10 -0.03 0.09 -0.04 3.93 3.85 2dksA15 ASN 61 H -0.16 0.01 -0.42 -0.55 8.53 7.41 2dksA15 ASN 61 HA -0.05 0.25 0.83 -0.75 4.76 5.04 2dksA15 ASN 61 HB2 -0.06 -0.00 -0.08 -0.04 2.88 2.70 2dksA15 ASN 61 HB3 -0.09 -0.06 0.01 -0.04 2.79 2.61 2dksA15 ASN 61 HD21 -0.02 -0.01 0.04 -0.04 7.03 7.00 2dksA15 ASN 61 HD22 -0.03 0.07 0.10 -0.04 7.74 7.84 2dksA15 GLN 62 H -0.14 0.07 -0.37 -0.55 8.47 7.48 2dksA15 GLN 62 HA -0.01 0.02 0.39 -0.75 4.36 4.01 2dksA15 GLN 62 HB2 0.04 0.04 -0.18 -0.04 2.15 2.01 2dksA15 GLN 62 HB3 0.14 -0.06 0.19 -0.04 2.02 2.25 2dksA15 GLN 62 HG2 0.12 -0.01 0.12 -0.04 2.40 2.58 2dksA15 GLN 62 HG3 0.02 0.08 -0.07 -0.04 2.39 2.38 2dksA15 GLN 62 HE21 0.09 0.01 0.03 -0.04 6.97 7.06 2dksA15 GLN 62 HE22 0.05 -0.04 0.01 -0.04 7.69 7.67 2dksA15 GLN 63 H -0.15 0.02 -0.42 -0.55 8.47 7.37 2dksA15 GLN 63 HA 0.06 0.21 0.93 -0.75 4.36 4.80 2dksA15 GLN 63 HB2 -0.02 0.16 0.01 -0.04 2.15 2.26 2dksA15 GLN 63 HB3 -0.05 -0.13 -0.02 -0.04 2.02 1.78 2dksA15 GLN 63 HG2 0.00 -0.01 -0.26 -0.04 2.40 2.10 2dksA15 GLN 63 HG3 0.01 0.01 0.09 -0.04 2.39 2.46 2dksA15 GLN 63 HE21 -0.00 0.01 -0.15 -0.04 6.97 6.78 2dksA15 GLN 63 HE22 -0.01 -0.02 -0.06 -0.04 7.69 7.57 2dksA15 ILE 64 H 0.06 0.23 0.18 -0.55 8.25 8.17 2dksA15 ILE 64 HA 0.12 0.24 1.12 -0.75 4.18 4.90 2dksA15 ILE 64 HB 0.04 0.00 0.12 -0.04 1.89 2.02 2dksA15 ILE 64 HG12 0.21 -0.02 -0.13 -0.04 1.49 1.51 2dksA15 ILE 64 HG13 0.25 -0.03 -0.50 -0.04 1.21 0.88 2dksA15 ILE 64 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.74 2dksA15 ILE 64 HD13 -0.03 0.00 -0.08 -0.04 0.88 0.74 2dksA15 THR 65 H 0.02 0.71 0.24 -0.55 8.28 8.69 2dksA15 THR 65 HA -0.01 0.24 0.99 -0.75 4.39 4.86 2dksA15 THR 65 HB -0.00 -0.06 0.12 -0.04 4.32 4.34 2dksA15 THR 65 HG23 0.01 0.03 -0.07 -0.04 1.22 1.14 2dksA15 PRO 66 HA -0.26 -0.08 0.59 -0.51 4.44 4.18 2dksA15 PRO 66 HB2 0.08 0.16 0.04 -0.04 2.28 2.51 2dksA15 PRO 66 HB3 -0.57 -0.06 0.12 -0.04 2.02 1.48 2dksA15 PRO 66 HG2 0.05 0.05 0.13 -0.04 2.03 2.22 2dksA15 PRO 66 HG3 0.06 0.02 0.08 -0.04 2.03 2.14 2dksA15 PRO 66 HD2 -0.00 0.12 0.25 -0.04 3.68 4.01 2dksA15 PRO 66 HD3 -0.05 0.13 -0.04 -0.04 3.65 3.65 2dksA15 GLY 67 H -0.05 0.28 0.05 -0.55 8.43 8.16 2dksA15 GLY 67 HA2 0.04 0.09 0.63 -0.51 4.01 4.26 2dksA15 GLY 67 HA3 0.04 0.22 0.32 -0.51 4.01 4.09 2dksA15 PRO 68 HA 0.07 0.08 0.49 -0.51 4.44 4.57 2dksA15 PRO 68 HB2 0.05 0.02 0.05 -0.04 2.28 2.36 2dksA15 PRO 68 HB3 0.05 -0.03 0.15 -0.04 2.02 2.15 2dksA15 PRO 68 HG2 0.07 0.13 0.11 -0.04 2.03 2.30 2dksA15 PRO 68 HG3 0.06 -0.01 0.17 -0.04 2.03 2.20 2dksA15 PRO 68 HD2 0.07 0.22 0.26 -0.04 3.68 4.20 2dksA15 PRO 68 HD3 0.06 0.07 0.22 -0.04 3.65 3.95 2dksA15 ALA 69 H 0.09 0.36 -0.32 -0.55 8.40 7.99 2dksA15 ALA 69 HA 0.08 0.13 0.53 -0.75 4.34 4.32 2dksA15 ALA 69 HB3 0.09 -0.03 -0.23 -0.04 1.41 1.21 2dksA15 TYR 70 H 0.16 0.34 -0.87 -0.55 8.29 7.37 2dksA15 TYR 70 HA 0.03 0.03 0.95 -0.75 4.56 4.82 2dksA15 TYR 70 HB2 0.03 0.31 0.09 -0.04 3.06 3.44 2dksA15 TYR 70 HB3 0.02 0.11 0.06 -0.04 2.98 3.12 2dksA15 TYR 70 HD2 0.01 0.10 0.05 -0.04 7.15 7.28 2dksA15 TYR 70 HE2 -0.01 0.07 0.06 -0.04 6.85 6.94 2dksA15 SER 71 H -0.39 -0.00 0.16 -0.55 8.46 7.69 2dksA15 SER 71 HA -0.18 0.28 0.82 -0.75 4.49 4.65 2dksA15 SER 71 HB2 -0.10 -0.06 -0.01 -0.04 3.95 3.74 2dksA15 SER 71 HB3 -0.10 0.03 0.13 -0.04 3.93 3.95 2dksA15 ASN 72 H -1.75 0.06 0.04 -0.55 8.53 6.33 2dksA15 ASN 72 HA -0.72 0.04 0.31 -0.75 4.76 3.65 2dksA15 ASN 72 HB2 -0.20 0.24 -0.16 -0.04 2.88 2.72 2dksA15 ASN 72 HB3 -0.13 0.00 0.23 -0.04 2.79 2.85 2dksA15 ASN 72 HD21 -0.21 -0.03 -0.37 -0.04 7.03 6.38 2dksA15 ASN 72 HD22 -0.04 0.03 -0.09 -0.04 7.74 7.60 2dksA15 ARG 73 H -0.35 -0.22 -0.04 -0.55 8.46 7.29 2dksA15 ARG 73 HA -0.06 0.24 0.85 -0.75 4.34 4.61 2dksA15 ARG 73 HB2 -0.05 -0.09 -0.03 -0.04 1.90 1.69 2dksA15 ARG 73 HB3 -0.04 0.03 -0.01 -0.04 1.80 1.74 2dksA15 ARG 73 HG2 -0.08 0.12 -0.24 -0.04 1.67 1.43 2dksA15 ARG 73 HG3 -0.12 0.05 -0.44 -0.04 1.67 1.11 2dksA15 ARG 73 HD2 -0.03 0.06 -0.09 -0.04 3.22 3.11 2dksA15 ARG 73 HD3 -0.05 -0.00 -0.06 -0.04 3.22 3.07 2dksA15 GLU 74 H 0.09 -0.18 0.14 -0.55 8.60 8.10 2dksA15 GLU 74 HA -0.02 0.28 0.58 -0.75 4.29 4.38 2dksA15 GLU 74 HB2 0.26 -0.05 0.04 -0.04 2.09 2.29 2dksA15 GLU 74 HB3 -0.06 0.00 -0.10 -0.04 1.99 1.80 2dksA15 GLU 74 HG2 0.04 0.05 -0.05 -0.04 2.34 2.33 2dksA15 GLU 74 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.26 2dksA15 THR 75 H -0.06 0.32 0.16 -0.55 8.28 8.15 2dksA15 THR 75 HA -0.00 0.09 0.83 -0.75 4.39 4.56 2dksA15 THR 75 HB 0.06 -0.04 0.14 -0.04 4.32 4.44 2dksA15 THR 75 HG23 -0.12 0.01 -0.06 -0.04 1.22 1.01 2dksA15 ILE 76 H -0.04 0.10 0.02 -0.55 8.25 7.79 2dksA15 ILE 76 HA 0.04 0.23 0.55 -0.75 4.18 4.25 2dksA15 ILE 76 HB -0.02 0.01 -0.11 -0.04 1.89 1.74 2dksA15 ILE 76 HG12 0.14 0.00 -0.23 -0.04 1.49 1.36 2dksA15 ILE 76 HG13 -0.01 -0.06 -0.12 -0.04 1.21 0.98 2dksA15 ILE 76 HG23 0.36 0.05 -0.01 -0.04 0.93 1.29 2dksA15 ILE 76 HD13 -0.04 0.02 -0.11 -0.04 0.88 0.71 2dksA15 TYR 77 H 0.19 0.22 0.26 -0.55 8.29 8.41 2dksA15 TYR 77 HA -0.07 0.26 0.76 -0.75 4.56 4.76 2dksA15 TYR 77 HB2 -0.05 -0.03 -0.01 -0.04 3.06 2.92 2dksA15 TYR 77 HB3 -0.04 -0.09 0.03 -0.04 2.98 2.83 2dksA15 TYR 77 HD2 -0.07 0.00 -0.39 -0.04 7.15 6.65 2dksA15 TYR 77 HE2 -0.07 -0.00 -0.06 -0.04 6.85 6.67 2dksA15 PRO 78 HA 0.33 0.11 0.40 -0.51 4.44 4.76 2dksA15 PRO 78 HB2 0.12 0.06 0.09 -0.04 2.28 2.51 2dksA15 PRO 78 HB3 0.08 0.05 0.10 -0.04 2.02 2.21 2dksA15 PRO 78 HG2 0.10 0.04 -0.02 -0.04 2.03 2.12 2dksA15 PRO 78 HG3 0.02 0.08 0.05 -0.04 2.03 2.13 2dksA15 PRO 78 HD2 0.15 0.10 0.18 -0.04 3.68 4.08 2dksA15 PRO 78 HD3 -0.14 0.20 0.14 -0.04 3.65 3.81 2dksA15 ASN 79 H 0.09 -0.06 -0.81 -0.55 8.53 7.20 2dksA15 ASN 79 HA 0.06 0.28 0.84 -0.75 4.76 5.18 2dksA15 ASN 79 HB2 0.01 -0.06 -0.02 -0.04 2.88 2.77 2dksA15 ASN 79 HB3 0.01 0.08 0.14 -0.04 2.79 2.98 2dksA15 ASN 79 HD21 0.09 -0.02 -0.07 -0.04 7.03 6.99 2dksA15 ASN 79 HD22 0.09 0.04 -0.08 -0.04 7.74 7.74 2dksA15 ALA 80 H -0.64 0.37 -0.13 -0.55 8.40 7.45 2dksA15 ALA 80 HA -1.24 -0.00 0.28 -0.75 4.34 2.63 2dksA15 ALA 80 HB3 -0.43 0.00 -0.07 -0.04 1.41 0.87 2dksA15 SER 81 H -0.01 -0.14 -0.18 -0.55 8.46 7.59 2dksA15 SER 81 HA 0.34 0.39 0.79 -0.75 4.49 5.26 2dksA15 SER 81 HB2 -0.23 -0.11 -0.14 -0.04 3.95 3.43 2dksA15 SER 81 HB3 -0.20 0.14 -0.17 -0.04 3.93 3.66 2dksA15 LEU 82 H -0.30 0.42 0.15 -0.55 8.37 8.09 2dksA15 LEU 82 HA -0.31 0.27 0.82 -0.75 4.35 4.38 2dksA15 LEU 82 HB2 -2.50 0.01 -0.23 -0.04 1.64 -1.12 2dksA15 LEU 82 HB3 -1.63 0.03 0.06 -0.04 1.64 0.06 2dksA15 LEU 82 HG -0.48 -0.01 -0.31 -0.04 1.64 0.81 2dksA15 LEU 82 HD13 -0.55 -0.01 -0.27 -0.04 0.93 0.07 2dksA15 LEU 82 HD23 -0.62 0.01 -0.13 -0.04 0.89 0.10 2dksA15 LEU 83 H -0.10 0.76 0.20 -0.55 8.37 8.69 2dksA15 LEU 83 HA -0.28 0.14 0.86 -0.75 4.35 4.31 2dksA15 LEU 83 HB2 -0.13 -0.03 -0.02 -0.04 1.64 1.42 2dksA15 LEU 83 HB3 0.10 0.06 0.18 -0.04 1.64 1.95 2dksA15 LEU 83 HG -0.08 0.03 -0.48 -0.04 1.64 1.07 2dksA15 LEU 83 HD13 -0.13 -0.01 -0.21 -0.04 0.93 0.54 2dksA15 LEU 83 HD23 0.05 -0.00 -0.08 -0.04 0.89 0.82 2dksA15 MET 84 H -0.31 0.78 0.31 -0.55 8.47 8.70 2dksA15 MET 84 HA -0.12 0.06 0.65 -0.75 4.52 4.36 2dksA15 MET 84 HB2 -0.32 0.07 0.07 -0.04 2.15 1.92 2dksA15 MET 84 HB3 -0.27 -0.13 0.06 -0.04 2.03 1.65 2dksA15 MET 84 HG2 0.05 0.03 -0.17 -0.04 2.63 2.50 2dksA15 MET 84 HG3 -0.03 -0.03 -0.04 -0.04 2.56 2.42 2dksA15 MET 84 HE3 -0.34 0.01 -0.09 -0.04 2.10 1.64 2dksA15 ARG 85 H -0.05 0.18 0.04 -0.55 8.46 8.08 2dksA15 ARG 85 HA -0.06 0.13 0.88 -0.75 4.34 4.54 2dksA15 ARG 85 HB2 -0.04 0.09 0.08 -0.04 1.90 1.99 2dksA15 ARG 85 HB3 -0.04 -0.01 0.03 -0.04 1.80 1.75 2dksA15 ARG 85 HG2 -0.05 -0.04 -0.18 -0.04 1.67 1.35 2dksA15 ARG 85 HG3 -0.04 0.17 -0.12 -0.04 1.67 1.64 2dksA15 ARG 85 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.11 2dksA15 ARG 85 HD3 -0.02 -0.03 -0.05 -0.04 3.22 3.07 2dksA15 ASN 86 H -0.03 0.21 0.03 -0.55 8.53 8.19 2dksA15 ASN 86 HA -0.02 0.04 0.37 -0.75 4.76 4.40 2dksA15 ASN 86 HB2 -0.02 0.04 -0.28 -0.04 2.88 2.58 2dksA15 ASN 86 HB3 -0.01 -0.03 0.23 -0.04 2.79 2.94 2dksA15 ASN 86 HD21 -0.03 0.02 -0.04 -0.04 7.03 6.95 2dksA15 ASN 86 HD22 -0.02 -0.01 0.02 -0.04 7.74 7.69 2dksA15 VAL 87 H -0.01 0.59 -0.27 -0.55 8.24 8.01 2dksA15 VAL 87 HA 0.07 0.10 0.21 -0.75 4.13 3.76 2dksA15 VAL 87 HB 0.20 -0.07 -0.16 -0.04 2.12 2.04 2dksA15 VAL 87 HG13 0.07 -0.00 -0.32 -0.04 0.97 0.67 2dksA15 VAL 87 HG23 0.03 -0.01 -0.45 -0.04 0.95 0.47 2dksA15 THR 88 H 0.06 0.23 0.09 -0.55 8.28 8.12 2dksA15 THR 88 HA 0.01 0.08 0.53 -0.75 4.39 4.25 2dksA15 THR 88 HB 0.01 -0.08 0.10 -0.04 4.32 4.31 2dksA15 THR 88 HG23 0.01 0.10 -0.11 -0.04 1.22 1.17 2dksA15 ARG 89 H 0.00 0.19 0.09 -0.55 8.46 8.19 2dksA15 ARG 89 HA -0.00 0.13 0.32 -0.75 4.34 4.04 2dksA15 ARG 89 HB2 0.00 -0.03 0.07 -0.04 1.90 1.91 2dksA15 ARG 89 HB3 0.00 0.11 0.06 -0.04 1.80 1.93 2dksA15 ARG 89 HG2 0.01 0.08 -0.01 -0.04 1.67 1.72 2dksA15 ARG 89 HG3 0.01 -0.09 0.07 -0.04 1.67 1.62 2dksA15 ARG 89 HD2 0.01 0.05 0.04 -0.04 3.22 3.28 2dksA15 ARG 89 HD3 0.02 0.03 0.05 -0.04 3.22 3.27 2dksA15 ASN 90 H 0.00 -0.04 -0.42 -0.55 8.53 7.53 2dksA15 ASN 90 HA -0.00 0.14 0.40 -0.75 4.76 4.54 2dksA15 ASN 90 HB2 0.01 -0.05 -0.00 -0.04 2.88 2.80 2dksA15 ASN 90 HB3 0.00 0.07 -0.02 -0.04 2.79 2.80 2dksA15 ASN 90 HD21 0.01 0.03 -0.01 -0.04 7.03 7.01 2dksA15 ASN 90 HD22 0.00 0.01 -0.00 -0.04 7.74 7.71 2dksA15 ASP 91 H 0.02 -0.01 -0.19 -0.55 8.40 7.67 2dksA15 ASP 91 HA 0.09 0.02 0.25 -0.75 4.63 4.23 2dksA15 ASP 91 HB2 0.02 0.06 0.13 -0.04 2.71 2.87 2dksA15 ASP 91 HB3 0.03 -0.00 -0.11 -0.04 2.70 2.57 2dksA15 THR 92 H -0.08 0.14 -0.53 -0.55 8.28 7.26 2dksA15 THR 92 HA -0.27 -0.02 0.36 -0.75 4.39 3.71 2dksA15 THR 92 HB -0.04 0.16 0.19 -0.04 4.32 4.59 2dksA15 THR 92 HG23 -0.06 0.00 0.06 -0.04 1.22 1.19 2dksA15 GLY 93 H -0.03 0.14 0.23 -0.55 8.43 8.23 2dksA15 GLY 93 HA2 -0.01 0.02 0.39 -0.51 4.01 3.90 2dksA15 GLY 93 HA3 -0.04 0.06 0.52 -0.51 4.01 4.03 2dksA15 SER 94 H -0.14 0.22 0.18 -0.55 8.46 8.17 2dksA15 SER 94 HA 0.16 0.17 0.91 -0.75 4.49 4.97 2dksA15 SER 94 HB2 0.05 0.05 -0.17 -0.04 3.95 3.84 2dksA15 SER 94 HB3 0.02 0.04 -0.18 -0.04 3.93 3.76 2dksA15 TYR 95 H 0.32 0.16 -0.05 -0.55 8.29 8.16 2dksA15 TYR 95 HA 0.20 0.15 1.11 -0.75 4.56 5.27 2dksA15 TYR 95 HB2 0.32 0.33 0.26 -0.04 3.06 3.92 2dksA15 TYR 95 HB3 0.43 -0.02 0.11 -0.04 2.98 3.47 2dksA15 TYR 95 HD2 0.12 -0.08 -0.20 -0.04 7.15 6.96 2dksA15 TYR 95 HE2 -0.04 -0.01 -0.10 -0.04 6.85 6.66 2dksA15 THR 96 H 0.22 0.24 0.12 -0.55 8.28 8.31 2dksA15 THR 96 HA 0.09 0.16 0.83 -0.75 4.39 4.72 2dksA15 THR 96 HB 0.12 -0.04 -0.20 -0.04 4.32 4.17 2dksA15 THR 96 HG23 0.00 -0.01 -0.31 -0.04 1.22 0.86 2dksA15 LEU 97 H -0.17 0.57 0.29 -0.55 8.37 8.52 2dksA15 LEU 97 HA -0.43 0.19 1.11 -0.75 4.35 4.47 2dksA15 LEU 97 HB2 -3.18 -0.03 -0.04 -0.04 1.64 -1.65 2dksA15 LEU 97 HB3 -1.04 0.09 0.17 -0.04 1.64 0.81 2dksA15 LEU 97 HG -1.56 0.18 -0.07 -0.04 1.64 0.15 2dksA15 LEU 97 HD13 -0.37 -0.02 -0.24 -0.04 0.93 0.26 2dksA15 LEU 97 HD23 -0.66 0.02 -0.31 -0.04 0.89 -0.11 2dksA15 GLN 98 H -0.00 0.73 0.31 -0.55 8.47 8.96 2dksA15 GLN 98 HA -0.05 0.31 1.03 -0.75 4.36 4.89 2dksA15 GLN 98 HB2 0.01 -0.08 -0.01 -0.04 2.15 2.04 2dksA15 GLN 98 HB3 0.23 0.01 0.11 -0.04 2.02 2.33 2dksA15 GLN 98 HG2 0.05 -0.07 -0.32 -0.04 2.40 2.02 2dksA15 GLN 98 HG3 0.00 0.16 -0.08 -0.04 2.39 2.43 2dksA15 GLN 98 HE21 0.04 -0.01 -0.14 -0.04 6.97 6.82 2dksA15 GLN 98 HE22 -0.02 -0.02 -0.11 -0.04 7.69 7.50 2dksA15 VAL 99 H -0.02 0.27 0.20 -0.55 8.24 8.14 2dksA15 VAL 99 HA 0.08 0.28 1.12 -0.75 4.13 4.85 2dksA15 VAL 99 HB 0.18 0.04 -0.04 -0.04 2.12 2.25 2dksA15 VAL 99 HG13 0.02 -0.02 0.06 -0.04 0.97 0.99 2dksA15 VAL 99 HG23 0.14 -0.00 -0.24 -0.04 0.95 0.80 2dksA15 ILE 100 H -0.00 0.66 0.31 -0.55 8.25 8.67 2dksA15 ILE 100 HA -0.01 0.26 0.87 -0.75 4.18 4.55 2dksA15 ILE 100 HB -0.05 -0.08 0.11 -0.04 1.89 1.83 2dksA15 ILE 100 HG12 -0.01 -0.01 -0.05 -0.04 1.49 1.38 2dksA15 ILE 100 HG13 0.00 0.03 -0.05 -0.04 1.21 1.16 2dksA15 ILE 100 HG23 -0.03 0.02 -0.09 -0.04 0.93 0.80 2dksA15 ILE 100 HD13 0.02 0.01 -0.11 -0.04 0.88 0.76 2dksA15 LYS 101 H -0.01 0.73 0.23 -0.55 8.42 8.81 2dksA15 LYS 101 HA -0.02 0.35 1.14 -0.75 4.32 5.03 2dksA15 LYS 101 HB2 -0.01 -0.04 0.03 -0.04 1.87 1.82 2dksA15 LYS 101 HB3 -0.00 -0.06 0.08 -0.04 1.79 1.77 2dksA15 LYS 101 HG2 0.01 -0.04 -0.17 -0.04 1.46 1.22 2dksA15 LYS 101 HG3 0.01 0.10 -0.29 -0.04 1.46 1.24 2dksA15 LYS 101 HD2 0.00 -0.00 -0.02 -0.04 1.69 1.63 2dksA15 LYS 101 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2dksA15 LYS 101 HE2 0.00 0.04 -0.12 -0.04 2.99 2.87 2dksA15 LYS 101 HE3 -0.00 -0.11 -0.16 -0.04 2.99 2.68 2dksA15 LEU 102 H -0.02 0.52 0.34 -0.55 8.37 8.67 2dksA15 LEU 102 HA -0.03 0.08 0.41 -0.75 4.35 4.06 2dksA15 LEU 102 HB2 -0.01 -0.03 0.16 -0.04 1.64 1.72 2dksA15 LEU 102 HB3 -0.02 0.05 0.10 -0.04 1.64 1.73 2dksA15 LEU 102 HG -0.02 0.03 0.05 -0.04 1.64 1.66 2dksA15 LEU 102 HD13 -0.03 0.01 0.06 -0.04 0.93 0.93 2dksA15 LEU 102 HD23 -0.04 0.04 0.02 -0.04 0.89 0.87 2dksA15 ASN 103 H -0.01 -0.08 -0.82 -0.55 8.53 7.07 2dksA15 ASN 103 HA -0.01 0.17 0.56 -0.75 4.76 4.73 2dksA15 ASN 103 HB2 -0.00 -0.01 0.04 -0.04 2.88 2.87 2dksA15 ASN 103 HB3 -0.00 -0.07 0.03 -0.04 2.79 2.71 2dksA15 ASN 103 HD21 -0.00 -0.05 0.01 -0.04 7.03 6.95 2dksA15 ASN 103 HD22 -0.00 0.03 0.03 -0.04 7.74 7.75 2dksA15 LEU 104 H -0.01 0.24 -0.73 -0.55 8.37 7.32 2dksA15 LEU 104 HA -0.01 0.01 0.31 -0.75 4.35 3.91 2dksA15 LEU 104 HB2 -0.01 0.15 -0.05 -0.04 1.64 1.68 2dksA15 LEU 104 HB3 -0.01 -0.03 0.21 -0.04 1.64 1.77 2dksA15 LEU 104 HG -0.01 0.02 -0.11 -0.04 1.64 1.50 2dksA15 LEU 104 HD13 -0.01 -0.01 -0.00 -0.04 0.93 0.87 2dksA15 LEU 104 HD23 -0.01 -0.00 0.04 -0.04 0.89 0.87 2dksA15 MET 105 H -0.01 0.17 -0.15 -0.55 8.47 7.93 2dksA15 MET 105 HA -0.01 0.28 0.91 -0.75 4.52 4.95 2dksA15 MET 105 HB2 -0.00 -0.15 -0.03 -0.04 2.15 1.92 2dksA15 MET 105 HB3 -0.00 -0.05 0.11 -0.04 2.03 2.04 2dksA15 MET 105 HG2 -0.01 0.30 -0.37 -0.04 2.63 2.51 2dksA15 MET 105 HG3 -0.00 -0.07 -0.05 -0.04 2.56 2.39 2dksA15 MET 105 HE3 -0.00 -0.01 0.02 -0.04 2.10 2.06 2dksA15 SER 106 H -0.01 0.26 0.15 -0.55 8.46 8.31 2dksA15 SER 106 HA -0.00 0.27 0.69 -0.75 4.49 4.70 2dksA15 SER 106 HB2 -0.01 -0.01 -0.07 -0.04 3.95 3.81 2dksA15 SER 106 HB3 0.00 0.02 -0.14 -0.04 3.93 3.77 2dksA15 GLU 107 H -0.00 0.50 0.29 -0.55 8.60 8.84 2dksA15 GLU 107 HA -0.01 0.18 0.89 -0.75 4.29 4.59 2dksA15 GLU 107 HB2 -0.00 0.00 0.16 -0.04 2.09 2.20 2dksA15 GLU 107 HB3 -0.02 0.07 0.12 -0.04 1.99 2.13 2dksA15 GLU 107 HG2 -0.00 -0.07 -0.10 -0.04 2.34 2.13 2dksA15 GLU 107 HG3 0.00 0.01 0.02 -0.04 2.34 2.33 2dksA15 GLU 108 H -0.02 0.21 0.24 -0.55 8.60 8.48 2dksA15 GLU 108 HA -0.05 0.20 0.89 -0.75 4.29 4.58 2dksA15 GLU 108 HB2 -0.02 -0.01 0.06 -0.04 2.09 2.08 2dksA15 GLU 108 HB3 -0.03 0.00 -0.08 -0.04 1.99 1.84 2dksA15 GLU 108 HG2 -0.04 -0.07 -0.09 -0.04 2.34 2.10 2dksA15 GLU 108 HG3 -0.04 0.13 -0.27 -0.04 2.34 2.12 2dksA15 VAL 109 H -0.07 0.21 0.07 -0.55 8.24 7.91 2dksA15 VAL 109 HA -0.02 0.12 0.69 -0.75 4.13 4.17 2dksA15 VAL 109 HB -0.04 0.18 -0.15 -0.04 2.12 2.06 2dksA15 VAL 109 HG13 -0.16 -0.04 -0.01 -0.04 0.97 0.72 2dksA15 VAL 109 HG23 -0.03 -0.04 -0.42 -0.04 0.95 0.42 2dksA15 THR 110 H 0.01 0.20 0.10 -0.55 8.28 8.04 2dksA15 THR 110 HA 0.07 0.10 0.69 -0.75 4.39 4.50 2dksA15 THR 110 HB 0.05 0.03 0.20 -0.04 4.32 4.56 2dksA15 THR 110 HG23 0.07 -0.01 -0.08 -0.04 1.22 1.16 2dksA15 GLY 111 H 0.17 0.58 0.38 -0.55 8.43 9.01 2dksA15 GLY 111 HA2 0.13 0.17 1.05 -0.51 4.01 4.86 2dksA15 GLY 111 HA3 0.19 -0.01 0.31 -0.51 4.01 3.98 2dksA15 GLN 112 H 0.16 0.23 0.19 -0.55 8.47 8.50 2dksA15 GLN 112 HA 0.26 0.18 0.87 -0.75 4.36 4.92 2dksA15 GLN 112 HB2 0.22 0.06 0.14 -0.04 2.15 2.53 2dksA15 GLN 112 HB3 0.36 -0.34 0.03 -0.04 2.02 2.03 2dksA15 GLN 112 HG2 0.11 -0.01 -0.10 -0.04 2.40 2.36 2dksA15 GLN 112 HG3 0.10 0.32 0.18 -0.04 2.39 2.95 2dksA15 GLN 112 HE21 0.08 0.01 0.04 -0.04 6.97 7.07 2dksA15 GLN 112 HE22 0.08 0.07 0.03 -0.04 7.69 7.83 2dksA15 PHE 113 H -0.07 0.18 0.15 -0.55 8.34 8.04 2dksA15 PHE 113 HA 0.02 0.21 0.77 -0.75 4.62 4.86 2dksA15 PHE 113 HB2 -0.02 0.11 0.09 -0.04 3.15 3.29 2dksA15 PHE 113 HB3 -0.05 -0.01 -0.21 -0.04 3.06 2.75 2dksA15 PHE 113 HD2 -0.15 0.03 -0.25 -0.04 7.28 6.87 2dksA15 PHE 113 HE2 -0.36 -0.02 -0.23 -0.04 7.38 6.73 2dksA15 PHE 113 HZ -0.15 -0.04 -0.18 -0.04 7.32 6.91 2dksA15 SER 114 H 0.24 0.44 0.26 -0.55 8.46 8.84 2dksA15 SER 114 HA -0.12 0.14 0.95 -0.75 4.49 4.71 2dksA15 SER 114 HB2 0.09 0.03 0.09 -0.04 3.95 4.11 2dksA15 SER 114 HB3 0.05 0.05 0.01 -0.04 3.93 4.00 2dksA15 VAL 115 H -0.01 0.22 0.13 -0.55 8.24 8.03 2dksA15 VAL 115 HA 0.09 0.34 0.86 -0.75 4.13 4.67 2dksA15 VAL 115 HB 0.00 0.00 -0.29 -0.04 2.12 1.79 2dksA15 VAL 115 HG13 -0.01 -0.03 -0.55 -0.04 0.97 0.34 2dksA15 VAL 115 HG23 0.11 -0.01 -0.47 -0.04 0.95 0.54 2dksA15 HIS 116 H -0.26 0.77 0.28 -0.55 8.41 8.65 2dksA15 HIS 116 HA 0.01 0.18 0.87 -0.75 4.63 4.94 2dksA15 HIS 116 HB2 0.01 0.09 -0.02 -0.04 3.26 3.30 2dksA15 HIS 116 HB3 0.01 0.03 -0.14 -0.04 3.20 3.05 2dksA15 HIS 116 HD2 0.04 -0.06 -0.28 -0.04 6.97 6.62 2dksA15 HIS 116 HE1 0.01 -0.05 -0.12 -0.04 7.75 7.55 2dksA15 PRO 117 HA -0.02 -0.11 0.50 -0.51 4.44 4.30 2dksA15 PRO 117 HB2 0.02 0.11 -0.09 -0.04 2.28 2.28 2dksA15 PRO 117 HB3 0.01 -0.04 0.10 -0.04 2.02 2.05 2dksA15 PRO 117 HG2 0.04 0.09 0.04 -0.04 2.03 2.16 2dksA15 PRO 117 HG3 0.02 0.04 0.06 -0.04 2.03 2.12 2dksA15 PRO 117 HD2 0.09 0.18 0.24 -0.04 3.68 4.14 2dksA15 PRO 117 HD3 0.04 0.10 0.14 -0.04 3.65 3.89 2dksA15 GLU 118 H -0.01 0.07 0.15 -0.55 8.60 8.27 2dksA15 GLU 118 HA 0.04 0.06 0.35 -0.75 4.29 3.99 2dksA15 GLU 118 HB2 0.00 -0.03 0.22 -0.04 2.09 2.24 2dksA15 GLU 118 HB3 0.01 0.03 0.10 -0.04 1.99 2.10 2dksA15 GLU 118 HG2 -0.02 -0.03 0.09 -0.04 2.34 2.34 2dksA15 GLU 118 HG3 -0.01 0.01 0.07 -0.04 2.34 2.37 2dksA15 THR 119 H 0.07 0.31 0.28 -0.55 8.28 8.39 2dksA15 THR 119 HA 0.02 0.12 0.74 -0.75 4.39 4.51 2dksA15 THR 119 HB 0.02 0.04 -0.02 -0.04 4.32 4.32 2dksA15 THR 119 HG23 0.02 -0.05 -0.28 -0.04 1.22 0.88 2dksA15 PRO 120 HA 0.02 0.05 0.43 -0.51 4.44 4.43 2dksA15 PRO 120 HB2 0.01 0.06 -0.09 -0.04 2.28 2.21 2dksA15 PRO 120 HB3 0.01 0.00 0.06 -0.04 2.02 2.05 2dksA15 PRO 120 HG2 0.01 0.03 0.03 -0.04 2.03 2.05 2dksA15 PRO 120 HG3 0.01 0.02 0.02 -0.04 2.03 2.04 2dksA15 PRO 120 HD2 0.01 0.11 0.19 -0.04 3.68 3.96 2dksA15 PRO 120 HD3 0.02 0.10 0.01 -0.04 3.65 3.74 2dksA15 LYS 121 H 0.00 0.16 0.14 -0.55 8.42 8.16 2dksA15 LYS 121 HA 0.00 0.21 0.91 -0.75 4.32 4.69 2dksA15 LYS 121 HB2 -0.01 0.00 -0.00 -0.04 1.87 1.82 2dksA15 LYS 121 HB3 -0.00 -0.01 -0.02 -0.04 1.79 1.72 2dksA15 LYS 121 HG2 0.00 0.08 -0.17 -0.04 1.46 1.34 2dksA15 LYS 121 HG3 -0.00 0.05 -0.14 -0.04 1.46 1.33 2dksA15 LYS 121 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.61 2dksA15 LYS 121 HD3 -0.00 -0.04 0.02 -0.04 1.68 1.61 2dksA15 LYS 121 HE2 0.00 0.02 -0.03 -0.04 2.99 2.95 2dksA15 LYS 121 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 2dksA15 PRO 122 HA 0.00 0.08 0.41 -0.51 4.44 4.42 2dksA15 PRO 122 HB2 -0.00 0.01 -0.01 -0.04 2.28 2.24 2dksA15 PRO 122 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 2dksA15 PRO 122 HG2 -0.00 -0.05 0.15 -0.04 2.03 2.09 2dksA15 PRO 122 HG3 0.00 0.06 0.09 -0.04 2.03 2.14 2dksA15 PRO 122 HD2 0.00 0.14 0.23 -0.04 3.68 4.01 2dksA15 PRO 122 HD3 0.00 0.19 0.16 -0.04 3.65 3.96 2dksA15 SER 123 H -0.00 0.14 -0.02 -0.55 8.46 8.03 2dksA15 SER 123 HA -0.00 0.07 0.64 -0.75 4.49 4.45 2dksA15 SER 123 HB2 -0.00 -0.00 0.09 -0.04 3.95 3.99 2dksA15 SER 123 HB3 -0.00 0.12 0.14 -0.04 3.93 4.14 2dksA15 ILE 124 H -0.00 0.16 0.16 -0.55 8.25 8.02 2dksA15 ILE 124 HA -0.01 0.11 0.28 -0.75 4.18 3.81 2dksA15 ILE 124 HB -0.00 0.03 0.12 -0.04 1.89 2.00 2dksA15 ILE 124 HG12 -0.01 -0.01 -0.05 -0.04 1.49 1.38 2dksA15 ILE 124 HG13 -0.01 0.02 0.14 -0.04 1.21 1.32 2dksA15 ILE 124 HG23 -0.00 -0.00 -0.02 -0.04 0.93 0.86 2dksA15 ILE 124 HD13 -0.00 -0.01 0.02 -0.04 0.88 0.85 2dksA15 SER 125 H -0.01 -0.08 -0.81 -0.55 8.46 7.01 2dksA15 SER 125 HA -0.01 0.13 0.75 -0.75 4.49 4.61 2dksA15 SER 125 HB2 -0.01 0.06 -0.06 -0.04 3.95 3.90 2dksA15 SER 125 HB3 -0.00 -0.03 -0.03 -0.04 3.93 3.83 2dksA15 GLY 126 H -0.02 0.17 0.10 -0.55 8.43 8.14 2dksA15 GLY 126 HA2 -0.01 0.17 0.69 -0.51 4.01 4.35 2dksA15 GLY 126 HA3 -0.02 0.02 0.24 -0.51 4.01 3.74 2dksA15 PRO 127 HA -0.00 0.02 0.45 -0.51 4.44 4.40 2dksA15 PRO 127 HB2 -0.00 0.02 0.01 -0.04 2.28 2.27 2dksA15 PRO 127 HB3 -0.00 0.00 0.10 -0.04 2.02 2.08 2dksA15 PRO 127 HG2 -0.00 0.03 0.15 -0.04 2.03 2.17 2dksA15 PRO 127 HG3 -0.00 0.02 0.10 -0.04 2.03 2.11 2dksA15 PRO 127 HD2 -0.01 0.08 0.22 -0.04 3.68 3.93 2dksA15 PRO 127 HD3 -0.01 0.19 0.24 -0.04 3.65 4.03 2dksA15 SER 128 H -0.00 0.23 0.26 -0.55 8.46 8.40 2dksA15 SER 128 HA -0.00 0.11 0.57 -0.75 4.49 4.42 2dksA15 SER 128 HB2 -0.00 -0.02 0.13 -0.04 3.95 4.02 2dksA15 SER 128 HB3 -0.01 0.09 -0.31 -0.04 3.93 3.65 2dksA15 SER 129 H 0.00 0.24 0.18 -0.55 8.46 8.34 2dksA15 SER 129 HA 0.00 0.16 0.81 -0.75 4.49 4.71 2dksA15 SER 129 HB2 0.00 0.04 -0.02 -0.04 3.95 3.94 2dksA15 SER 129 HB3 0.00 -0.05 0.08 -0.04 3.93 3.93 2dksA15 GLY 130 H 0.01 0.09 0.06 -0.55 8.43 8.04 2dksA15 GLY 130 HA2 0.01 0.09 0.14 -0.51 4.01 3.75 2dksA15 GLY 130 HA3 0.01 0.04 0.20 -0.51 4.01 3.75