============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 2 0.900 -3.313 -9.221 -12.592 -99.200 -91.000 PHE 7 1.000 -13.266 -3.678 -2.653 -99.200 -91.000 TRP 28 1.040 4.933 1.840 5.591 -99.200 -91.000 TRP6 28 1.020 2.980 0.688 4.982 -99.200 -91.000 PHE 39 1.000 7.398 -14.469 -0.580 -99.200 -91.000 PHE 47 1.000 -1.422 -6.395 -9.620 -99.200 -91.000 PHE 49 1.000 7.523 1.835 -7.820 -99.200 -91.000 PHE 69 1.000 2.628 -12.598 -5.512 -99.200 -91.000 PHE 78 1.000 0.274 -3.224 1.558 -99.200 -91.000 TRP 83 1.040 -6.988 4.061 0.753 -99.200 -91.000 TRP6 83 1.020 -6.266 4.054 -1.481 -99.200 -91.000 PHE 100 1.000 7.207 6.988 5.817 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mp1A4 SER 24 HA 0.02 -0.05 0.13 -0.75 4.49 3.84 1mp1A4 SER 24 HB3 0.02 0.03 -0.05 -0.04 3.93 3.89 1mp1A4 SER 24 HB2 0.01 0.01 -0.11 -0.04 3.95 3.82 1mp1A4 HIS 25 H -0.12 0.19 0.05 -0.55 8.41 7.99 1mp1A4 HIS 25 HA 0.10 -0.03 0.38 -0.75 4.63 4.32 1mp1A4 HIS 25 HB3 0.04 -0.04 0.12 -0.04 3.20 3.28 1mp1A4 HIS 25 HD2 0.23 0.00 0.03 -0.04 6.97 7.19 1mp1A4 HIS 25 HE1 0.16 -0.01 -0.02 -0.04 7.75 7.84 1mp1A4 HIS 25 HB2 0.05 0.11 -0.20 -0.04 3.26 3.18 1mp1A4 MET 26 H 0.12 0.13 0.33 -0.55 8.47 8.50 1mp1A4 MET 26 HA 0.05 0.20 0.82 -0.75 4.52 4.84 1mp1A4 MET 26 HB3 0.00 -0.12 0.07 -0.04 2.03 1.94 1mp1A4 MET 26 HG3 0.05 0.07 0.03 -0.04 2.56 2.67 1mp1A4 MET 26 HE3 0.02 -0.01 0.04 -0.04 2.10 2.10 1mp1A4 MET 26 HB2 -0.01 -0.02 -0.07 -0.04 2.15 2.01 1mp1A4 MET 26 HG2 0.05 -0.02 -0.07 -0.04 2.63 2.54 1mp1A4 GLN 27 H -0.00 0.18 0.02 -0.55 8.47 8.13 1mp1A4 GLN 27 HA -0.01 -0.01 0.45 -0.75 4.36 4.04 1mp1A4 GLN 27 HB3 0.01 0.17 0.18 -0.04 2.02 2.34 1mp1A4 GLN 27 HG3 0.01 -0.11 -0.66 -0.04 2.39 1.59 1mp1A4 GLN 27 HE21 -0.01 -0.02 0.05 -0.04 6.97 6.96 1mp1A4 GLN 27 HE22 0.00 0.02 0.00 -0.04 7.69 7.68 1mp1A4 GLN 27 HB2 -0.01 -0.04 -0.02 -0.04 2.15 2.04 1mp1A4 GLN 27 HG2 0.01 0.02 -0.17 -0.04 2.40 2.22 1mp1A4 LEU 28 H -0.07 0.28 0.17 -0.55 8.37 8.21 1mp1A4 LEU 28 HA -0.11 0.11 0.46 -0.75 4.35 4.07 1mp1A4 LEU 28 HB3 -0.05 0.18 0.09 -0.04 1.64 1.82 1mp1A4 LEU 28 HG -0.03 0.02 -0.08 -0.04 1.64 1.51 1mp1A4 LEU 28 HD13 -0.02 0.05 -0.29 -0.04 0.93 0.63 1mp1A4 LEU 28 HD23 -0.05 0.06 -0.26 -0.04 0.89 0.60 1mp1A4 LEU 28 HB2 -0.09 -0.10 0.20 -0.04 1.64 1.61 1mp1A4 LYS 29 H -0.18 0.13 0.16 -0.55 8.42 7.97 1mp1A4 LYS 29 HA -0.84 0.13 0.72 -0.75 4.32 3.58 1mp1A4 LYS 29 HB3 -0.17 -0.02 0.11 -0.04 1.79 1.68 1mp1A4 LYS 29 HG3 -0.28 -0.06 0.12 -0.04 1.46 1.20 1mp1A4 LYS 29 HD3 -0.06 0.01 -0.02 -0.04 1.68 1.58 1mp1A4 LYS 29 HE3 -0.10 -0.02 0.01 -0.04 2.99 2.85 1mp1A4 LYS 29 HB2 -0.25 0.01 0.07 -0.04 1.87 1.67 1mp1A4 LYS 29 HG2 -0.16 0.18 -0.12 -0.04 1.46 1.32 1mp1A4 LYS 29 HD2 -0.09 -0.03 0.00 -0.04 1.69 1.53 1mp1A4 LYS 29 HE2 -0.04 0.02 0.01 -0.04 2.99 2.93 1mp1A4 PHE 30 H -0.89 0.16 0.16 -0.55 8.34 7.22 1mp1A4 PHE 30 HA -0.05 0.19 0.86 -0.75 4.62 4.87 1mp1A4 PHE 30 HB3 -0.10 -0.00 0.01 -0.04 3.06 2.93 1mp1A4 PHE 30 HD2 -0.08 0.13 -0.05 -0.04 7.28 7.24 1mp1A4 PHE 30 HE2 -0.05 0.02 0.00 -0.04 7.38 7.31 1mp1A4 PHE 30 HZ -0.04 0.02 0.01 -0.04 7.32 7.27 1mp1A4 PHE 30 HB2 -0.11 -0.04 0.08 -0.04 3.15 3.04 1mp1A4 ALA 31 H 0.11 0.04 0.09 -0.55 8.40 8.09 1mp1A4 ALA 31 HA 0.06 0.22 0.54 -0.75 4.34 4.40 1mp1A4 ALA 31 HB3 0.03 -0.04 0.15 -0.04 1.41 1.50 1mp1A4 GLU 32 H 0.03 0.07 0.20 -0.55 8.60 8.36 1mp1A4 GLU 32 HA 0.04 0.31 0.94 -0.75 4.29 4.83 1mp1A4 GLU 32 HB3 0.03 0.08 0.01 -0.04 1.99 2.07 1mp1A4 GLU 32 HG3 0.04 -0.01 -0.05 -0.04 2.34 2.27 1mp1A4 GLU 32 HB2 0.03 -0.01 0.11 -0.04 2.09 2.18 1mp1A4 GLU 32 HG2 0.05 0.10 -0.14 -0.04 2.34 2.31 1mp1A4 CYS 33 H 0.04 0.06 0.15 -0.55 8.50 8.20 1mp1A4 CYS 33 HA 0.08 0.18 0.32 -0.75 4.58 4.41 1mp1A4 CYS 33 HB3 0.13 0.09 0.05 -0.04 2.97 3.19 1mp1A4 CYS 33 HB2 0.08 -0.03 0.05 -0.04 2.97 3.02 1mp1A4 LEU 34 H -0.07 -0.04 -0.88 -0.55 8.37 6.83 1mp1A4 LEU 34 HA -0.94 0.10 0.31 -0.75 4.35 3.07 1mp1A4 LEU 34 HB3 -0.86 -0.06 -0.04 -0.04 1.64 0.64 1mp1A4 LEU 34 HG -0.13 -0.14 -0.17 -0.04 1.64 1.16 1mp1A4 LEU 34 HD13 -0.21 -0.03 -0.04 -0.04 0.93 0.62 1mp1A4 LEU 34 HD23 -0.21 -0.00 -0.24 -0.04 0.89 0.40 1mp1A4 LEU 34 HB2 -0.37 0.16 -0.23 -0.04 1.64 1.15 1mp1A4 GLU 35 H 0.02 0.75 -0.57 -0.55 8.60 8.25 1mp1A4 GLU 35 HA 0.04 0.08 0.71 -0.75 4.29 4.37 1mp1A4 GLU 35 HB3 0.02 -0.02 0.17 -0.04 1.99 2.11 1mp1A4 GLU 35 HG3 -0.00 0.09 0.14 -0.04 2.34 2.52 1mp1A4 GLU 35 HB2 0.04 0.07 0.10 -0.04 2.09 2.25 1mp1A4 GLU 35 HG2 -0.10 -0.14 -0.18 -0.04 2.34 1.87 1mp1A4 LYS 36 H 0.50 0.23 -0.57 -0.55 8.42 8.02 1mp1A4 LYS 36 HA 0.09 0.12 0.72 -0.75 4.32 4.50 1mp1A4 LYS 36 HB3 0.01 0.01 0.13 -0.04 1.79 1.90 1mp1A4 LYS 36 HG3 0.12 -0.06 0.09 -0.04 1.46 1.57 1mp1A4 LYS 36 HD3 0.02 0.02 0.02 -0.04 1.68 1.70 1mp1A4 LYS 36 HE3 0.03 -0.03 0.01 -0.04 2.99 2.95 1mp1A4 LYS 36 HB2 0.25 0.09 0.10 -0.04 1.87 2.26 1mp1A4 LYS 36 HG2 0.09 -0.05 -0.14 -0.04 1.46 1.32 1mp1A4 LYS 36 HD2 0.00 0.02 0.04 -0.04 1.69 1.71 1mp1A4 LYS 36 HE2 0.04 -0.06 -0.01 -0.04 2.99 2.92 1mp1A4 LYS 37 H 0.51 0.01 -0.25 -0.55 8.42 8.13 1mp1A4 LYS 37 HA 0.34 -0.04 0.32 -0.75 4.32 4.18 1mp1A4 LYS 37 HB3 0.02 0.02 0.15 -0.04 1.79 1.93 1mp1A4 LYS 37 HG3 0.16 -0.06 -0.00 -0.04 1.46 1.52 1mp1A4 LYS 37 HD3 0.05 0.07 -0.28 -0.04 1.68 1.48 1mp1A4 LYS 37 HE3 0.04 -0.05 -0.02 -0.04 2.99 2.92 1mp1A4 LYS 37 HB2 0.02 0.17 -0.26 -0.04 1.87 1.75 1mp1A4 LYS 37 HG2 0.07 -0.01 0.00 -0.04 1.46 1.49 1mp1A4 LYS 37 HD2 0.08 0.07 -0.19 -0.04 1.69 1.61 1mp1A4 LYS 37 HE2 0.02 0.01 -0.04 -0.04 2.99 2.95 1mp1A4 VAL 38 H -0.13 0.17 0.19 -0.55 8.24 7.92 1mp1A4 VAL 38 HA -0.33 0.23 0.53 -0.75 4.13 3.81 1mp1A4 VAL 38 HB -0.49 -0.09 0.07 -0.04 2.12 1.57 1mp1A4 VAL 38 HG13 -1.60 0.01 -0.34 -0.04 0.97 -1.01 1mp1A4 VAL 38 HG23 -0.44 -0.03 -0.09 -0.04 0.95 0.35 1mp1A4 ASP 39 H -0.22 0.12 -0.03 -0.55 8.40 7.73 1mp1A4 ASP 39 HA -0.07 0.34 0.63 -0.75 4.63 4.77 1mp1A4 ASP 39 HB3 -0.08 -0.06 0.16 -0.04 2.70 2.67 1mp1A4 ASP 39 HB2 -0.09 0.14 -0.32 -0.04 2.71 2.40 1mp1A4 MET 40 H -0.05 0.34 0.19 -0.55 8.47 8.40 1mp1A4 MET 40 HA -0.06 0.11 0.52 -0.75 4.52 4.33 1mp1A4 MET 40 HB3 -0.00 0.00 0.17 -0.04 2.03 2.16 1mp1A4 MET 40 HG3 0.02 0.24 -0.00 -0.04 2.56 2.78 1mp1A4 MET 40 HE3 -0.13 -0.06 -0.20 -0.04 2.10 1.68 1mp1A4 MET 40 HB2 -0.00 0.10 0.21 -0.04 2.15 2.42 1mp1A4 MET 40 HG2 -0.04 -0.20 0.01 -0.04 2.63 2.36 1mp1A4 SER 41 H -0.03 0.04 -0.19 -0.55 8.46 7.73 1mp1A4 SER 41 HA -0.01 0.12 0.42 -0.75 4.49 4.26 1mp1A4 SER 41 HB3 -0.02 0.05 -0.03 -0.04 3.93 3.89 1mp1A4 SER 41 HB2 -0.02 -0.08 0.11 -0.04 3.95 3.93 1mp1A4 LYS 42 H -0.05 0.20 -0.60 -0.55 8.42 7.41 1mp1A4 LYS 42 HA -0.04 0.19 0.91 -0.75 4.32 4.63 1mp1A4 LYS 42 HB3 -0.05 0.09 0.09 -0.04 1.79 1.88 1mp1A4 LYS 42 HG3 -0.05 0.01 -0.03 -0.04 1.46 1.34 1mp1A4 LYS 42 HD3 -0.03 0.00 -0.43 -0.04 1.68 1.18 1mp1A4 LYS 42 HE3 -0.03 0.03 -0.02 -0.04 2.99 2.92 1mp1A4 LYS 42 HB2 -0.07 0.00 0.07 -0.04 1.87 1.84 1mp1A4 LYS 42 HG2 -0.05 -0.21 -0.18 -0.04 1.46 0.98 1mp1A4 LYS 42 HD2 -0.03 0.09 -0.05 -0.04 1.69 1.66 1mp1A4 LYS 42 HE2 -0.03 -0.06 -0.05 -0.04 2.99 2.81 1mp1A4 VAL 43 H -0.07 0.38 0.24 -0.55 8.24 8.24 1mp1A4 VAL 43 HA -0.07 0.11 0.81 -0.75 4.13 4.23 1mp1A4 VAL 43 HB -0.12 -0.07 -0.35 -0.04 2.12 1.53 1mp1A4 VAL 43 HG13 -0.15 -0.03 -0.05 -0.04 0.97 0.71 1mp1A4 VAL 43 HG23 -0.13 -0.03 -0.23 -0.04 0.95 0.53 1mp1A4 ASN 44 H -0.04 0.67 0.38 -0.55 8.53 8.99 1mp1A4 ASN 44 HA -0.01 0.18 0.79 -0.75 4.76 4.96 1mp1A4 ASN 44 HB3 0.02 -0.37 0.05 -0.04 2.79 2.44 1mp1A4 ASN 44 HD21 0.02 -0.05 0.03 -0.04 7.03 6.99 1mp1A4 ASN 44 HD22 0.01 -0.02 0.03 -0.04 7.74 7.72 1mp1A4 ASN 44 HB2 0.00 0.37 0.26 -0.04 2.88 3.47 1mp1A4 LEU 45 H 0.01 0.26 0.27 -0.55 8.37 8.36 1mp1A4 LEU 45 HA -0.02 0.16 0.70 -0.75 4.35 4.43 1mp1A4 LEU 45 HB3 0.01 0.17 0.17 -0.04 1.64 1.95 1mp1A4 LEU 45 HG 0.09 0.32 -0.07 -0.04 1.64 1.93 1mp1A4 LEU 45 HD13 0.08 -0.05 0.01 -0.04 0.93 0.93 1mp1A4 LEU 45 HD23 -0.06 -0.05 -0.24 -0.04 0.89 0.50 1mp1A4 LEU 45 HB2 0.01 -0.05 0.10 -0.04 1.64 1.66 1mp1A4 GLU 46 H 0.02 0.16 0.09 -0.55 8.60 8.33 1mp1A4 GLU 46 HA -0.02 0.09 0.44 -0.75 4.29 4.04 1mp1A4 GLU 46 HB3 0.03 0.07 -0.03 -0.04 1.99 2.02 1mp1A4 GLU 46 HG3 0.09 0.06 0.06 -0.04 2.34 2.50 1mp1A4 GLU 46 HB2 0.04 0.02 0.16 -0.04 2.09 2.27 1mp1A4 GLU 46 HG2 0.11 -0.02 0.08 -0.04 2.34 2.46 1mp1A4 VAL 47 H 0.03 0.17 -0.39 -0.55 8.24 7.51 1mp1A4 VAL 47 HA -0.00 0.12 0.41 -0.75 4.13 3.91 1mp1A4 VAL 47 HB 0.23 -0.01 0.12 -0.04 2.12 2.43 1mp1A4 VAL 47 HG13 0.05 0.02 -0.01 -0.04 0.97 0.99 1mp1A4 VAL 47 HG23 0.10 0.01 -0.00 -0.04 0.95 1.02 1mp1A4 ILE 48 H 0.04 0.39 -0.90 -0.55 8.25 7.22 1mp1A4 ILE 48 HA 0.26 0.13 0.89 -0.75 4.18 4.71 1mp1A4 ILE 48 HB 0.02 0.03 0.04 -0.04 1.89 1.94 1mp1A4 ILE 48 HG13 -0.08 -0.02 0.05 -0.04 1.21 1.12 1mp1A4 ILE 48 HG23 -0.14 -0.04 0.05 -0.04 0.93 0.77 1mp1A4 ILE 48 HD13 0.00 0.06 -0.24 -0.04 0.88 0.65 1mp1A4 ILE 48 HG12 0.01 -0.07 0.00 -0.04 1.49 1.39 1mp1A4 LYS 49 H -0.02 0.39 -0.12 -0.55 8.42 8.12 1mp1A4 LYS 49 HA -0.20 -0.01 0.43 -0.75 4.32 3.79 1mp1A4 LYS 49 HB3 -0.12 0.02 0.05 -0.04 1.79 1.70 1mp1A4 LYS 49 HG3 -0.85 -0.06 0.02 -0.04 1.46 0.53 1mp1A4 LYS 49 HD3 -1.29 0.04 -0.08 -0.04 1.68 0.31 1mp1A4 LYS 49 HE3 -0.49 -0.09 0.06 -0.04 2.99 2.42 1mp1A4 LYS 49 HB2 -0.13 0.17 0.33 -0.04 1.87 2.20 1mp1A4 LYS 49 HG2 -0.65 0.03 0.03 -0.04 1.46 0.82 1mp1A4 LYS 49 HD2 -0.39 0.09 -0.08 -0.04 1.69 1.26 1mp1A4 LYS 49 HE2 -1.50 -0.01 -0.03 -0.04 2.99 1.41 1mp1A4 PRO 50 HA 0.00 0.07 0.46 -0.51 4.44 4.46 1mp1A4 PRO 50 HB3 -0.02 0.05 0.01 -0.04 2.02 2.01 1mp1A4 PRO 50 HG3 -0.05 0.09 -0.00 -0.04 2.03 2.03 1mp1A4 PRO 50 HD3 -0.02 0.35 0.20 -0.04 3.65 4.13 1mp1A4 PRO 50 HB2 -0.03 0.07 -0.10 -0.04 2.28 2.19 1mp1A4 PRO 50 HG2 -0.09 0.13 -0.06 -0.04 2.03 1.98 1mp1A4 PRO 50 HD2 0.03 -0.04 -0.49 -0.04 3.68 3.14 1mp1A4 TRP 51 H 0.24 0.16 -0.52 -0.55 7.97 7.30 1mp1A4 TRP 51 HA 0.02 0.12 0.45 -0.75 4.62 4.45 1mp1A4 TRP 51 HB3 0.10 0.02 0.15 -0.04 3.23 3.47 1mp1A4 TRP 51 HD1 0.34 0.04 -0.02 -0.04 7.22 7.53 1mp1A4 TRP 51 HE1 0.06 0.02 -0.03 -0.04 10.20 10.21 1mp1A4 TRP 51 HE3 -0.05 0.07 -0.48 -0.04 7.59 7.09 1mp1A4 TRP 51 HZ2 -0.07 0.03 -0.08 -0.04 7.44 7.28 1mp1A4 TRP 51 HZ3 -0.74 -0.06 -0.08 -0.04 7.13 6.20 1mp1A4 TRP 51 HH2 -0.33 0.04 -0.11 -0.04 7.19 6.74 1mp1A4 TRP 51 HB2 0.14 0.12 0.10 -0.04 3.23 3.55 1mp1A4 ILE 52 H 0.34 1.03 -0.02 -0.55 8.25 9.06 1mp1A4 ILE 52 HA 0.45 0.03 0.49 -0.75 4.18 4.40 1mp1A4 ILE 52 HB 0.19 0.28 0.19 -0.04 1.89 2.51 1mp1A4 ILE 52 HG13 0.58 -0.04 -0.02 -0.04 1.21 1.69 1mp1A4 ILE 52 HG23 0.23 -0.04 -0.14 -0.04 0.93 0.95 1mp1A4 ILE 52 HD13 0.14 -0.01 -0.06 -0.04 0.88 0.91 1mp1A4 ILE 52 HG12 0.52 -0.08 -0.02 -0.04 1.49 1.87 1mp1A4 THR 53 H 0.07 0.80 -0.01 -0.55 8.28 8.60 1mp1A4 THR 53 HA 0.05 -0.08 0.38 -0.75 4.39 3.98 1mp1A4 THR 53 HB 0.01 0.04 0.12 -0.04 4.32 4.46 1mp1A4 THR 53 HG23 0.04 -0.02 -0.05 -0.04 1.22 1.14 1mp1A4 LYS 54 H -0.02 0.42 -0.55 -0.55 8.42 7.71 1mp1A4 LYS 54 HA -0.06 0.03 0.45 -0.75 4.32 3.98 1mp1A4 LYS 54 HB3 -0.16 0.07 0.16 -0.04 1.79 1.82 1mp1A4 LYS 54 HG3 -0.07 -0.03 0.00 -0.04 1.46 1.32 1mp1A4 LYS 54 HD3 -0.14 0.03 -0.05 -0.04 1.68 1.48 1mp1A4 LYS 54 HE3 -0.13 -0.01 -0.06 -0.04 2.99 2.76 1mp1A4 LYS 54 HB2 -0.06 0.03 0.12 -0.04 1.87 1.92 1mp1A4 LYS 54 HG2 -0.12 -0.07 -0.01 -0.04 1.46 1.22 1mp1A4 LYS 54 HD2 -0.09 -0.02 -0.04 -0.04 1.69 1.50 1mp1A4 LYS 54 HE2 -0.21 -0.04 -0.18 -0.04 2.99 2.52 1mp1A4 ARG 55 H -0.17 0.38 -0.39 -0.55 8.46 7.73 1mp1A4 ARG 55 HA -0.28 0.08 0.46 -0.75 4.34 3.85 1mp1A4 ARG 55 HB3 0.12 -0.12 -0.03 -0.04 1.80 1.73 1mp1A4 ARG 55 HG3 -2.97 -0.07 -0.03 -0.04 1.67 -1.45 1mp1A4 ARG 55 HD3 -0.33 -0.02 0.03 -0.04 3.22 2.86 1mp1A4 ARG 55 HB2 -0.22 0.09 0.34 -0.04 1.90 2.07 1mp1A4 ARG 55 HG2 -1.48 0.07 0.04 -0.04 1.67 0.25 1mp1A4 ARG 55 HD2 -0.33 -0.06 -0.02 -0.04 3.22 2.77 1mp1A4 VAL 56 H 0.09 1.11 0.09 -0.55 8.24 8.99 1mp1A4 VAL 56 HA -0.10 0.00 0.40 -0.75 4.13 3.68 1mp1A4 VAL 56 HB -0.06 -0.13 -0.00 -0.04 2.12 1.89 1mp1A4 VAL 56 HG13 -0.13 -0.03 -0.07 -0.04 0.97 0.70 1mp1A4 VAL 56 HG23 0.03 -0.03 0.01 -0.04 0.95 0.92 1mp1A4 THR 57 H -0.04 0.51 -0.36 -0.55 8.28 7.85 1mp1A4 THR 57 HA -0.12 0.28 0.44 -0.75 4.39 4.23 1mp1A4 THR 57 HB -0.04 0.09 0.08 -0.04 4.32 4.40 1mp1A4 THR 57 HG23 -0.01 -0.05 -0.40 -0.04 1.22 0.72 1mp1A4 GLU 58 H -0.10 0.47 -0.37 -0.55 8.60 8.06 1mp1A4 GLU 58 HA -0.10 0.05 0.41 -0.75 4.29 3.90 1mp1A4 GLU 58 HB3 -0.09 -0.07 -0.02 -0.04 1.99 1.77 1mp1A4 GLU 58 HG3 -0.10 0.13 0.06 -0.04 2.34 2.38 1mp1A4 GLU 58 HB2 -0.13 0.11 0.23 -0.04 2.09 2.26 1mp1A4 GLU 58 HG2 -0.07 -0.06 -0.02 -0.04 2.34 2.15 1mp1A4 ILE 59 H -0.10 0.44 -0.34 -0.55 8.25 7.70 1mp1A4 ILE 59 HA -0.06 -0.01 0.36 -0.75 4.18 3.72 1mp1A4 ILE 59 HB -0.10 0.14 0.21 -0.04 1.89 2.09 1mp1A4 ILE 59 HG13 0.01 0.17 0.02 -0.04 1.21 1.37 1mp1A4 ILE 59 HG23 -0.07 -0.05 -0.12 -0.04 0.93 0.66 1mp1A4 ILE 59 HD13 0.05 -0.08 -0.29 -0.04 0.88 0.52 1mp1A4 ILE 59 HG12 0.03 -0.14 -0.01 -0.04 1.49 1.34 1mp1A4 LEU 60 H -0.30 0.22 -0.24 -0.55 8.37 7.52 1mp1A4 LEU 60 HA -0.22 0.15 0.84 -0.75 4.35 4.37 1mp1A4 LEU 60 HB3 -0.38 0.03 0.05 -0.04 1.64 1.30 1mp1A4 LEU 60 HG -0.26 -0.06 0.06 -0.04 1.64 1.34 1mp1A4 LEU 60 HD13 -0.64 -0.09 0.19 -0.04 0.93 0.34 1mp1A4 LEU 60 HD23 0.17 -0.04 -0.06 -0.04 0.89 0.91 1mp1A4 LEU 60 HB2 -2.34 -0.06 0.01 -0.04 1.64 -0.79 1mp1A4 GLY 61 H -0.42 0.54 0.18 -0.55 8.43 8.18 1mp1A4 GLY 61 HA2 -0.11 -0.01 0.34 -0.51 4.01 3.72 1mp1A4 GLY 61 HA3 -0.08 0.13 0.85 -0.51 4.01 4.40 1mp1A4 PHE 62 H -0.91 0.05 0.14 -0.55 8.34 7.07 1mp1A4 PHE 62 HA 0.01 0.20 0.94 -0.75 4.62 5.02 1mp1A4 PHE 62 HB3 0.01 0.07 -0.09 -0.04 3.06 3.01 1mp1A4 PHE 62 HD2 0.04 0.03 -0.33 -0.04 7.28 6.98 1mp1A4 PHE 62 HE2 0.02 0.00 -0.06 -0.04 7.38 7.30 1mp1A4 PHE 62 HZ -0.08 0.07 -0.02 -0.04 7.32 7.25 1mp1A4 PHE 62 HB2 0.03 0.04 -0.06 -0.04 3.15 3.12 1mp1A4 GLU 63 H 0.17 0.17 0.13 -0.55 8.60 8.51 1mp1A4 GLU 63 HA 0.08 -0.00 0.51 -0.75 4.29 4.12 1mp1A4 GLU 63 HB3 0.09 0.04 0.19 -0.04 1.99 2.27 1mp1A4 GLU 63 HG3 0.05 -0.02 0.02 -0.04 2.34 2.35 1mp1A4 GLU 63 HB2 0.07 0.00 0.15 -0.04 2.09 2.28 1mp1A4 GLU 63 HG2 0.07 0.07 -0.08 -0.04 2.34 2.37 1mp1A4 ASP 64 H 0.12 0.09 0.16 -0.55 8.40 8.22 1mp1A4 ASP 64 HA 0.37 0.18 0.35 -0.75 4.63 4.77 1mp1A4 ASP 64 HB3 0.12 -0.04 0.19 -0.04 2.70 2.92 1mp1A4 ASP 64 HB2 0.01 -0.24 0.12 -0.04 2.71 2.56 1mp1A4 ASP 65 H -0.10 -0.15 0.13 -0.55 8.40 7.73 1mp1A4 ASP 65 HA 0.01 0.16 0.46 -0.75 4.63 4.50 1mp1A4 ASP 65 HB3 -0.03 0.01 -0.02 -0.04 2.70 2.62 1mp1A4 ASP 65 HB2 0.05 0.07 -0.31 -0.04 2.71 2.48 1mp1A4 VAL 66 H -0.25 0.25 0.17 -0.55 8.24 7.87 1mp1A4 VAL 66 HA -0.33 0.17 0.46 -0.75 4.13 3.67 1mp1A4 VAL 66 HB -0.23 0.04 0.16 -0.04 2.12 2.05 1mp1A4 VAL 66 HG13 -0.62 -0.00 -0.13 -0.04 0.97 0.17 1mp1A4 VAL 66 HG23 -0.17 0.04 0.04 -0.04 0.95 0.82 1mp1A4 VAL 67 H -0.48 -0.03 -0.05 -0.55 8.24 7.13 1mp1A4 VAL 67 HA 0.15 0.19 0.42 -0.75 4.13 4.13 1mp1A4 VAL 67 HB -0.12 0.07 0.02 -0.04 2.12 2.05 1mp1A4 VAL 67 HG13 -0.58 0.01 0.05 -0.04 0.97 0.41 1mp1A4 VAL 67 HG23 -0.08 -0.04 -0.13 -0.04 0.95 0.67 1mp1A4 ILE 68 H -0.06 -0.07 -0.29 -0.55 8.25 7.28 1mp1A4 ILE 68 HA 0.07 0.08 0.33 -0.75 4.18 3.91 1mp1A4 ILE 68 HB 0.05 0.09 -0.01 -0.04 1.89 1.97 1mp1A4 ILE 68 HG13 0.01 -0.21 -0.08 -0.04 1.21 0.89 1mp1A4 ILE 68 HG23 0.14 0.03 -0.12 -0.04 0.93 0.94 1mp1A4 ILE 68 HD13 0.06 0.03 -0.26 -0.04 0.88 0.67 1mp1A4 ILE 68 HG12 0.04 0.05 -0.07 -0.04 1.49 1.47 1mp1A4 GLU 69 H -0.04 0.84 -0.11 -0.55 8.60 8.75 1mp1A4 GLU 69 HA 0.10 0.03 0.35 -0.75 4.29 4.01 1mp1A4 GLU 69 HB3 -0.21 0.01 -0.05 -0.04 1.99 1.69 1mp1A4 GLU 69 HG3 -0.06 0.03 0.02 -0.04 2.34 2.28 1mp1A4 GLU 69 HB2 -0.19 0.20 0.19 -0.04 2.09 2.25 1mp1A4 GLU 69 HG2 -0.05 -0.04 0.03 -0.04 2.34 2.24 1mp1A4 PHE 70 H -0.05 0.40 -0.43 -0.55 8.34 7.71 1mp1A4 PHE 70 HA -0.02 0.04 0.35 -0.75 4.62 4.24 1mp1A4 PHE 70 HB3 -0.05 -0.08 -0.05 -0.04 3.06 2.84 1mp1A4 PHE 70 HD2 -0.16 -0.10 -0.10 -0.04 7.28 6.88 1mp1A4 PHE 70 HE2 -0.32 -0.00 -0.05 -0.04 7.38 6.97 1mp1A4 PHE 70 HZ -2.40 0.02 -0.01 -0.04 7.32 4.88 1mp1A4 PHE 70 HB2 -0.09 0.13 0.22 -0.04 3.15 3.37 1mp1A4 ILE 71 H 0.19 0.50 -0.19 -0.55 8.25 8.20 1mp1A4 ILE 71 HA 0.19 -0.00 0.46 -0.75 4.18 4.08 1mp1A4 ILE 71 HB 0.16 0.09 0.12 -0.04 1.89 2.22 1mp1A4 ILE 71 HG13 0.15 -0.07 -0.03 -0.04 1.21 1.22 1mp1A4 ILE 71 HG23 0.23 -0.01 -0.08 -0.04 0.93 1.02 1mp1A4 ILE 71 HD13 0.05 -0.04 -0.10 -0.04 0.88 0.75 1mp1A4 ILE 71 HG12 0.31 -0.06 -0.03 -0.04 1.49 1.67 1mp1A4 PHE 72 H 0.25 0.88 0.00 -0.55 8.34 8.92 1mp1A4 PHE 72 HA 0.08 0.03 0.35 -0.75 4.62 4.32 1mp1A4 PHE 72 HB3 0.02 0.03 0.03 -0.04 3.06 3.10 1mp1A4 PHE 72 HD2 0.03 -0.02 -0.06 -0.04 7.28 7.20 1mp1A4 PHE 72 HE2 0.03 0.00 -0.04 -0.04 7.38 7.33 1mp1A4 PHE 72 HZ 0.03 0.01 -0.02 -0.04 7.32 7.30 1mp1A4 PHE 72 HB2 0.04 0.21 0.06 -0.04 3.15 3.41 1mp1A4 ASN 73 H 0.18 1.15 0.02 -0.55 8.53 9.34 1mp1A4 ASN 73 HA 0.07 0.05 0.37 -0.75 4.76 4.50 1mp1A4 ASN 73 HB3 0.06 -0.05 -0.06 -0.04 2.79 2.71 1mp1A4 ASN 73 HD21 0.02 0.54 0.25 -0.04 7.03 7.80 1mp1A4 ASN 73 HD22 -0.07 -0.08 0.01 -0.04 7.74 7.56 1mp1A4 ASN 73 HB2 0.08 0.11 0.12 -0.04 2.88 3.15 1mp1A4 GLN 74 H 0.17 0.48 -0.34 -0.55 8.47 8.23 1mp1A4 GLN 74 HA 0.12 0.04 0.48 -0.75 4.36 4.25 1mp1A4 GLN 74 HB3 0.15 -0.21 -0.01 -0.04 2.02 1.91 1mp1A4 GLN 74 HG3 0.10 -0.18 0.06 -0.04 2.39 2.33 1mp1A4 GLN 74 HE21 0.36 -0.13 0.04 -0.04 6.97 7.21 1mp1A4 GLN 74 HE22 0.32 -0.05 0.03 -0.04 7.69 7.94 1mp1A4 GLN 74 HB2 0.17 0.17 0.24 -0.04 2.15 2.69 1mp1A4 GLN 74 HG2 0.12 -0.09 -0.04 -0.04 2.40 2.35 1mp1A4 LEU 75 H 0.17 0.78 -0.17 -0.55 8.37 8.61 1mp1A4 LEU 75 HA 0.10 -0.00 0.50 -0.75 4.35 4.20 1mp1A4 LEU 75 HB3 0.07 -0.11 0.11 -0.04 1.64 1.67 1mp1A4 LEU 75 HG 0.16 0.08 0.04 -0.04 1.64 1.88 1mp1A4 LEU 75 HD13 0.06 -0.04 -0.07 -0.04 0.93 0.85 1mp1A4 LEU 75 HD23 0.12 -0.03 -0.09 -0.04 0.89 0.85 1mp1A4 LEU 75 HB2 0.13 0.11 0.11 -0.04 1.64 1.94 1mp1A4 GLU 76 H 0.14 0.12 -0.97 -0.55 8.60 7.35 1mp1A4 GLU 76 HA 0.11 0.05 0.60 -0.75 4.29 4.31 1mp1A4 GLU 76 HB3 0.05 -0.10 0.10 -0.04 1.99 2.00 1mp1A4 GLU 76 HG3 0.10 -0.05 -0.16 -0.04 2.34 2.19 1mp1A4 GLU 76 HB2 0.09 0.17 0.19 -0.04 2.09 2.50 1mp1A4 GLU 76 HG2 0.22 -0.05 -0.03 -0.04 2.34 2.43 1mp1A4 VAL 77 H 0.08 0.22 -0.53 -0.55 8.24 7.45 1mp1A4 VAL 77 HA 0.04 0.21 0.79 -0.75 4.13 4.41 1mp1A4 VAL 77 HB 0.04 -0.12 0.14 -0.04 2.12 2.14 1mp1A4 VAL 77 HG13 0.06 0.06 -0.04 -0.04 0.97 1.00 1mp1A4 VAL 77 HG23 0.07 0.05 -0.30 -0.04 0.95 0.73 1mp1A4 LYS 78 H 0.03 0.12 0.14 -0.55 8.42 8.15 1mp1A4 LYS 78 HA 0.00 0.12 0.86 -0.75 4.32 4.55 1mp1A4 LYS 78 HB3 -0.00 -0.01 0.13 -0.04 1.79 1.86 1mp1A4 LYS 78 HG3 0.01 0.09 -0.19 -0.04 1.46 1.32 1mp1A4 LYS 78 HD3 0.01 0.02 0.02 -0.04 1.68 1.69 1mp1A4 LYS 78 HE3 0.02 0.09 -0.04 -0.04 2.99 3.02 1mp1A4 LYS 78 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 1mp1A4 LYS 78 HG2 0.00 0.04 0.00 -0.04 1.46 1.46 1mp1A4 LYS 78 HD2 0.02 -0.11 0.07 -0.04 1.69 1.63 1mp1A4 LYS 78 HE2 0.01 0.03 -0.06 -0.04 2.99 2.93 1mp1A4 ASN 79 H 0.04 0.04 -0.05 -0.55 8.53 8.01 1mp1A4 ASN 79 HA 0.03 0.20 0.79 -0.75 4.76 5.02 1mp1A4 ASN 79 HB3 0.05 -0.00 0.13 -0.04 2.79 2.92 1mp1A4 ASN 79 HD21 -0.00 0.09 -0.19 -0.04 7.03 6.89 1mp1A4 ASN 79 HD22 -0.01 0.08 0.11 -0.04 7.74 7.88 1mp1A4 ASN 79 HB2 0.03 -0.07 -0.01 -0.04 2.88 2.79 1mp1A4 PRO 80 HA 0.13 0.14 0.56 -0.51 4.44 4.75 1mp1A4 PRO 80 HB3 0.17 0.29 -0.23 -0.04 2.02 2.22 1mp1A4 PRO 80 HG3 0.10 0.11 -0.10 -0.04 2.03 2.10 1mp1A4 PRO 80 HD3 0.03 0.14 -0.27 -0.04 3.65 3.51 1mp1A4 PRO 80 HB2 0.34 -0.11 -0.18 -0.04 2.28 2.29 1mp1A4 PRO 80 HG2 0.25 -0.03 -0.07 -0.04 2.03 2.13 1mp1A4 PRO 80 HD2 0.06 0.06 0.05 -0.04 3.68 3.82 1mp1A4 ASP 81 H 0.08 0.19 0.10 -0.55 8.40 8.23 1mp1A4 ASP 81 HA 0.01 0.29 0.86 -0.75 4.63 5.03 1mp1A4 ASP 81 HB3 -0.01 0.01 0.27 -0.04 2.70 2.93 1mp1A4 ASP 81 HB2 0.01 0.18 0.12 -0.04 2.71 2.98 1mp1A4 SER 82 H -0.27 0.47 -0.04 -0.55 8.46 8.07 1mp1A4 SER 82 HA -0.54 0.02 0.26 -0.75 4.49 3.47 1mp1A4 SER 82 HB3 -4.05 0.08 0.10 -0.04 3.93 0.02 1mp1A4 SER 82 HB2 -1.41 -0.08 0.05 -0.04 3.95 2.47 1mp1A4 LYS 83 H -0.39 0.07 -0.70 -0.55 8.42 6.85 1mp1A4 LYS 83 HA -0.56 0.05 0.40 -0.75 4.32 3.46 1mp1A4 LYS 83 HB3 -0.31 0.08 0.01 -0.04 1.79 1.53 1mp1A4 LYS 83 HG3 -0.60 0.09 -0.01 -0.04 1.46 0.91 1mp1A4 LYS 83 HD3 -1.01 -0.15 -0.24 -0.04 1.68 0.24 1mp1A4 LYS 83 HE3 -0.53 0.05 -0.06 -0.04 2.99 2.41 1mp1A4 LYS 83 HB2 -0.23 0.01 0.04 -0.04 1.87 1.65 1mp1A4 LYS 83 HG2 -0.47 -0.04 -0.01 -0.04 1.46 0.90 1mp1A4 LYS 83 HD2 -3.67 0.03 -0.04 -0.04 1.69 -2.03 1mp1A4 LYS 83 HE2 -0.51 0.03 -0.22 -0.04 2.99 2.25 1mp1A4 MET 84 H -0.13 0.30 0.05 -0.55 8.47 8.14 1mp1A4 MET 84 HA -0.09 0.11 0.42 -0.75 4.52 4.22 1mp1A4 MET 84 HB3 -0.09 0.00 -0.05 -0.04 2.03 1.86 1mp1A4 MET 84 HG3 0.01 0.03 0.05 -0.04 2.56 2.60 1mp1A4 MET 84 HE3 -0.15 -0.02 0.04 -0.04 2.10 1.93 1mp1A4 MET 84 HB2 -0.05 0.02 0.22 -0.04 2.15 2.30 1mp1A4 MET 84 HG2 -0.02 0.01 0.04 -0.04 2.63 2.61 1mp1A4 MET 85 H -0.13 0.41 -0.27 -0.55 8.47 7.94 1mp1A4 MET 85 HA -0.11 0.07 0.33 -0.75 4.52 4.05 1mp1A4 MET 85 HB3 -0.01 0.04 -0.01 -0.04 2.03 2.00 1mp1A4 MET 85 HG3 0.10 0.05 -0.15 -0.04 2.56 2.52 1mp1A4 MET 85 HE3 0.25 0.01 -0.17 -0.04 2.10 2.15 1mp1A4 MET 85 HB2 -0.06 -0.01 -0.03 -0.04 2.15 2.02 1mp1A4 MET 85 HG2 0.14 -0.03 -0.07 -0.04 2.63 2.63 1mp1A4 GLN 86 H -0.11 0.70 -0.04 -0.55 8.47 8.47 1mp1A4 GLN 86 HA -0.01 -0.02 0.42 -0.75 4.36 4.00 1mp1A4 GLN 86 HB3 0.08 0.09 -0.07 -0.04 2.02 2.08 1mp1A4 GLN 86 HG3 0.03 -0.01 -0.02 -0.04 2.39 2.35 1mp1A4 GLN 86 HE21 0.04 -0.01 -0.09 -0.04 6.97 6.86 1mp1A4 GLN 86 HE22 0.04 0.15 0.03 -0.04 7.69 7.86 1mp1A4 GLN 86 HB2 -0.07 0.20 0.16 -0.04 2.15 2.40 1mp1A4 GLN 86 HG2 0.05 -0.10 -0.13 -0.04 2.40 2.19 1mp1A4 ILE 87 H -0.04 0.49 -0.35 -0.55 8.25 7.79 1mp1A4 ILE 87 HA -0.01 0.04 0.37 -0.75 4.18 3.82 1mp1A4 ILE 87 HB -0.03 0.08 0.18 -0.04 1.89 2.08 1mp1A4 ILE 87 HG13 0.16 -0.05 -0.10 -0.04 1.21 1.19 1mp1A4 ILE 87 HG23 -0.05 -0.01 -0.29 -0.04 0.93 0.54 1mp1A4 ILE 87 HD13 0.24 -0.03 -0.09 -0.04 0.88 0.96 1mp1A4 ILE 87 HG12 0.02 -0.30 0.03 -0.04 1.49 1.20 1mp1A4 ASN 88 H -0.27 0.64 -0.19 -0.55 8.53 8.17 1mp1A4 ASN 88 HA -0.35 0.08 0.44 -0.75 4.76 4.17 1mp1A4 ASN 88 HB3 -0.95 -0.10 -0.04 -0.04 2.79 1.65 1mp1A4 ASN 88 HD21 -0.86 -0.07 -0.19 -0.04 7.03 5.87 1mp1A4 ASN 88 HD22 -0.93 -0.04 -0.04 -0.04 7.74 6.69 1mp1A4 ASN 88 HB2 -0.64 0.08 0.21 -0.04 2.88 2.50 1mp1A4 LEU 89 H -0.16 0.79 -0.03 -0.55 8.37 8.42 1mp1A4 LEU 89 HA -0.10 -0.03 0.43 -0.75 4.35 3.91 1mp1A4 LEU 89 HB3 -0.20 -0.13 0.02 -0.04 1.64 1.30 1mp1A4 LEU 89 HG -0.16 0.24 0.03 -0.04 1.64 1.71 1mp1A4 LEU 89 HD13 -0.90 -0.02 -0.06 -0.04 0.93 -0.09 1mp1A4 LEU 89 HD23 -0.27 -0.02 -0.00 -0.04 0.89 0.55 1mp1A4 LEU 89 HB2 -0.11 0.07 0.21 -0.04 1.64 1.77 1mp1A4 THR 90 H -0.04 0.62 -0.31 -0.55 8.28 8.00 1mp1A4 THR 90 HA 0.01 -0.23 0.30 -0.75 4.39 3.71 1mp1A4 THR 90 HB -0.01 0.16 0.02 -0.04 4.32 4.45 1mp1A4 THR 90 HG23 -0.00 -0.00 0.01 -0.04 1.22 1.18 1mp1A4 GLY 91 H 0.02 0.23 -0.87 -0.55 8.43 7.26 1mp1A4 GLY 91 HA2 0.09 0.06 0.39 -0.51 4.01 4.03 1mp1A4 GLY 91 HA3 0.13 0.01 0.25 -0.51 4.01 3.89 1mp1A4 PHE 92 H 0.21 0.27 -0.21 -0.55 8.34 8.06 1mp1A4 PHE 92 HA 0.06 0.20 0.96 -0.75 4.62 5.08 1mp1A4 PHE 92 HB3 0.03 -0.04 -0.01 -0.04 3.06 3.00 1mp1A4 PHE 92 HD2 0.12 0.07 -0.16 -0.04 7.28 7.27 1mp1A4 PHE 92 HE2 0.12 0.03 0.01 -0.04 7.38 7.50 1mp1A4 PHE 92 HZ 0.06 0.02 0.03 -0.04 7.32 7.39 1mp1A4 PHE 92 HB2 0.03 -0.02 0.15 -0.04 3.15 3.26 1mp1A4 LEU 93 H 0.10 0.90 0.29 -0.55 8.37 9.11 1mp1A4 LEU 93 HA 0.02 0.14 0.38 -0.75 4.35 4.13 1mp1A4 LEU 93 HB3 -0.01 -0.18 0.11 -0.04 1.64 1.51 1mp1A4 LEU 93 HG -0.08 0.08 0.04 -0.04 1.64 1.64 1mp1A4 LEU 93 HD13 -0.19 -0.03 -0.18 -0.04 0.93 0.50 1mp1A4 LEU 93 HD23 -0.03 0.01 -0.03 -0.04 0.89 0.80 1mp1A4 LEU 93 HB2 -0.01 -0.14 -0.07 -0.04 1.64 1.38 1mp1A4 ASN 94 H 0.00 -0.03 0.15 -0.55 8.53 8.11 1mp1A4 ASN 94 HA 0.01 0.37 0.73 -0.75 4.76 5.12 1mp1A4 ASN 94 HB3 0.00 0.03 0.17 -0.04 2.79 2.95 1mp1A4 ASN 94 HD21 -0.01 -0.13 0.07 -0.04 7.03 6.91 1mp1A4 ASN 94 HD22 -0.01 0.15 0.03 -0.04 7.74 7.87 1mp1A4 ASN 94 HB2 0.00 -0.20 0.12 -0.04 2.88 2.77 1mp1A4 GLY 95 H 0.01 -0.06 -0.18 -0.55 8.43 7.65 1mp1A4 GLY 95 HA2 0.00 0.08 0.35 -0.51 4.01 3.93 1mp1A4 GLY 95 HA3 0.00 0.35 0.78 -0.51 4.01 4.64 1mp1A4 LYS 96 H 0.01 0.37 -0.32 -0.55 8.42 7.93 1mp1A4 LYS 96 HA 0.02 0.14 0.49 -0.75 4.32 4.22 1mp1A4 LYS 96 HB3 0.02 0.05 -0.05 -0.04 1.79 1.77 1mp1A4 LYS 96 HG3 0.01 0.07 0.02 -0.04 1.46 1.52 1mp1A4 LYS 96 HD3 0.02 -0.00 0.03 -0.04 1.68 1.69 1mp1A4 LYS 96 HE3 0.01 0.04 -0.00 -0.04 2.99 3.00 1mp1A4 LYS 96 HB2 0.01 0.09 0.08 -0.04 1.87 2.01 1mp1A4 LYS 96 HG2 0.01 0.03 0.01 -0.04 1.46 1.46 1mp1A4 LYS 96 HD2 0.03 -0.09 0.08 -0.04 1.69 1.67 1mp1A4 LYS 96 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 1mp1A4 ASN 97 H 0.02 0.04 -0.17 -0.55 8.53 7.88 1mp1A4 ASN 97 HA 0.06 0.19 0.40 -0.75 4.76 4.66 1mp1A4 ASN 97 HB3 0.03 0.08 -0.05 -0.04 2.79 2.80 1mp1A4 ASN 97 HD21 0.05 -0.06 0.04 -0.04 7.03 7.01 1mp1A4 ASN 97 HD22 0.01 0.13 0.02 -0.04 7.74 7.86 1mp1A4 ASN 97 HB2 0.01 -0.26 0.11 -0.04 2.88 2.70 1mp1A4 ALA 98 H 0.03 0.07 -0.49 -0.55 8.40 7.46 1mp1A4 ALA 98 HA 0.04 0.06 0.38 -0.75 4.34 4.07 1mp1A4 ALA 98 HB3 0.00 0.03 0.02 -0.04 1.41 1.43 1mp1A4 ARG 99 H 0.06 0.35 -0.22 -0.55 8.46 8.09 1mp1A4 ARG 99 HA 0.07 -0.03 0.42 -0.75 4.34 4.05 1mp1A4 ARG 99 HB3 0.05 0.02 -0.06 -0.04 1.80 1.77 1mp1A4 ARG 99 HG3 0.04 -0.00 -0.00 -0.04 1.67 1.67 1mp1A4 ARG 99 HD3 0.01 0.06 -0.20 -0.04 3.22 3.06 1mp1A4 ARG 99 HB2 0.04 0.13 0.16 -0.04 1.90 2.19 1mp1A4 ARG 99 HG2 0.05 -0.13 -0.05 -0.04 1.67 1.49 1mp1A4 ARG 99 HD2 0.02 0.00 -0.06 -0.04 3.22 3.14 1mp1A4 GLU 100 H 0.09 0.38 -0.24 -0.55 8.60 8.29 1mp1A4 GLU 100 HA 0.09 0.08 0.45 -0.75 4.29 4.16 1mp1A4 GLU 100 HB3 0.10 0.04 -0.06 -0.04 1.99 2.03 1mp1A4 GLU 100 HG3 0.05 0.01 -0.01 -0.04 2.34 2.34 1mp1A4 GLU 100 HB2 0.07 0.10 0.15 -0.04 2.09 2.37 1mp1A4 GLU 100 HG2 0.06 -0.03 0.01 -0.04 2.34 2.34 1mp1A4 PHE 101 H 0.26 0.72 -0.13 -0.55 8.34 8.63 1mp1A4 PHE 101 HA 0.16 0.09 0.39 -0.75 4.62 4.51 1mp1A4 PHE 101 HB3 0.07 0.00 0.24 -0.04 3.06 3.33 1mp1A4 PHE 101 HD2 0.05 0.05 -0.17 -0.04 7.28 7.17 1mp1A4 PHE 101 HE2 0.10 0.00 -0.05 -0.04 7.38 7.39 1mp1A4 PHE 101 HZ 0.20 -0.02 -0.05 -0.04 7.32 7.41 1mp1A4 PHE 101 HB2 0.05 0.04 0.06 -0.04 3.15 3.26 1mp1A4 MET 102 H 0.36 0.75 -0.05 -0.55 8.47 8.98 1mp1A4 MET 102 HA 0.18 -0.01 0.45 -0.75 4.52 4.38 1mp1A4 MET 102 HB3 -0.01 -0.06 -0.03 -0.04 2.03 1.88 1mp1A4 MET 102 HG3 0.13 0.02 0.01 -0.04 2.56 2.67 1mp1A4 MET 102 HE3 -0.23 -0.03 0.03 -0.04 2.10 1.83 1mp1A4 MET 102 HB2 0.13 0.28 0.20 -0.04 2.15 2.72 1mp1A4 MET 102 HG2 0.29 -0.04 0.03 -0.04 2.63 2.87 1mp1A4 GLY 103 H 0.12 0.36 -0.60 -0.55 8.43 7.76 1mp1A4 GLY 103 HA2 0.10 -0.01 0.47 -0.51 4.01 4.06 1mp1A4 GLY 103 HA3 0.08 0.08 0.34 -0.51 4.01 3.99 1mp1A4 GLU 104 H 0.06 0.04 -0.79 -0.55 8.60 7.36 1mp1A4 GLU 104 HA 0.02 0.19 0.92 -0.75 4.29 4.67 1mp1A4 GLU 104 HB3 0.54 -0.06 0.02 -0.04 1.99 2.44 1mp1A4 GLU 104 HG3 0.15 0.15 -0.09 -0.04 2.34 2.50 1mp1A4 GLU 104 HB2 0.33 0.13 0.12 -0.04 2.09 2.63 1mp1A4 GLU 104 HG2 0.11 0.12 -0.19 -0.04 2.34 2.33 1mp1A4 LEU 105 H -0.10 0.19 0.18 -0.55 8.37 8.08 1mp1A4 LEU 105 HA -0.97 0.17 0.83 -0.75 4.35 3.63 1mp1A4 LEU 105 HB3 -0.35 0.12 0.11 -0.04 1.64 1.48 1mp1A4 LEU 105 HG 0.10 -0.02 -0.06 -0.04 1.64 1.62 1mp1A4 LEU 105 HD13 0.28 -0.03 -0.09 -0.04 0.93 1.05 1mp1A4 LEU 105 HD23 -0.09 -0.00 -0.17 -0.04 0.89 0.58 1mp1A4 LEU 105 HB2 -0.47 0.02 0.03 -0.04 1.64 1.18 1mp1A4 TRP 106 H 0.15 0.42 0.20 -0.55 7.97 8.19 1mp1A4 TRP 106 HA -0.11 0.02 0.39 -0.75 4.62 4.18 1mp1A4 TRP 106 HB3 -0.06 0.05 0.04 -0.04 3.23 3.21 1mp1A4 TRP 106 HD1 -0.05 0.24 -0.15 -0.04 7.22 7.21 1mp1A4 TRP 106 HE1 -0.05 -0.25 -0.12 -0.04 10.20 9.74 1mp1A4 TRP 106 HE3 -0.02 -0.02 -0.03 -0.04 7.59 7.47 1mp1A4 TRP 106 HZ2 -0.05 0.01 0.04 -0.04 7.44 7.40 1mp1A4 TRP 106 HZ3 -0.01 -0.01 -0.12 -0.04 7.13 6.94 1mp1A4 TRP 106 HH2 -0.03 0.20 -0.09 -0.04 7.19 7.23 1mp1A4 TRP 106 HB2 -0.04 -0.00 0.22 -0.04 3.23 3.37 1mp1A4 PRO 107 HA -0.13 0.15 0.46 -0.51 4.44 4.41 1mp1A4 PRO 107 HB3 -0.01 0.04 -0.01 -0.04 2.02 1.99 1mp1A4 PRO 107 HG3 0.03 0.21 -0.34 -0.04 2.03 1.89 1mp1A4 PRO 107 HD3 0.15 0.29 0.03 -0.04 3.65 4.08 1mp1A4 PRO 107 HB2 -0.08 0.05 -0.13 -0.04 2.28 2.08 1mp1A4 PRO 107 HG2 -0.06 0.13 -0.33 -0.04 2.03 1.73 1mp1A4 PRO 107 HD2 -0.08 -0.17 -0.92 -0.04 3.68 2.48 1mp1A4 LEU 108 H -0.30 0.16 -0.71 -0.55 8.37 6.97 1mp1A4 LEU 108 HA -0.37 -0.01 0.38 -0.75 4.35 3.61 1mp1A4 LEU 108 HB3 -0.61 0.01 0.04 -0.04 1.64 1.05 1mp1A4 LEU 108 HG -0.61 -0.15 0.10 -0.04 1.64 0.93 1mp1A4 LEU 108 HD13 -0.92 -0.01 0.07 -0.04 0.93 0.03 1mp1A4 LEU 108 HD23 -1.10 -0.02 0.00 -0.04 0.89 -0.27 1mp1A4 LEU 108 HB2 -0.72 0.16 0.35 -0.04 1.64 1.38 1mp1A4 LEU 109 H -0.33 0.47 -0.30 -0.55 8.37 7.66 1mp1A4 LEU 109 HA -0.25 0.05 0.44 -0.75 4.35 3.83 1mp1A4 LEU 109 HB3 -0.28 -0.05 -0.02 -0.04 1.64 1.25 1mp1A4 LEU 109 HG -0.28 0.18 0.07 -0.04 1.64 1.57 1mp1A4 LEU 109 HD13 -0.26 -0.03 -0.05 -0.04 0.93 0.54 1mp1A4 LEU 109 HD23 -0.16 -0.01 -0.10 -0.04 0.89 0.58 1mp1A4 LEU 109 HB2 -0.45 0.14 0.02 -0.04 1.64 1.31 1mp1A4 LEU 110 H -0.30 0.21 -0.39 -0.55 8.37 7.34 1mp1A4 LEU 110 HA -0.23 0.09 0.35 -0.75 4.35 3.81 1mp1A4 LEU 110 HB3 -0.14 -0.02 -0.00 -0.04 1.64 1.44 1mp1A4 LEU 110 HG -0.15 0.04 0.05 -0.04 1.64 1.53 1mp1A4 LEU 110 HD13 -0.47 0.01 0.03 -0.04 0.93 0.45 1mp1A4 LEU 110 HD23 -0.09 -0.04 -0.09 -0.04 0.89 0.64 1mp1A4 LEU 110 HB2 -0.18 0.06 0.23 -0.04 1.64 1.72 1mp1A4 SER 111 H -0.20 0.41 -0.29 -0.55 8.46 7.83 1mp1A4 SER 111 HA -0.12 0.15 0.51 -0.75 4.49 4.28 1mp1A4 SER 111 HB3 -0.17 -0.20 0.02 -0.04 3.93 3.54 1mp1A4 SER 111 HB2 -0.18 0.12 0.14 -0.04 3.95 3.99 1mp1A4 ALA 112 H -0.21 0.33 -0.27 -0.55 8.40 7.71 1mp1A4 ALA 112 HA -0.14 0.10 -0.04 -0.75 4.34 3.51 1mp1A4 ALA 112 HB3 -0.18 0.04 -0.16 -0.04 1.41 1.08 1mp1A4 GLN 113 H -0.16 1.06 -0.09 -0.55 8.47 8.73 1mp1A4 GLN 113 HA -0.10 0.05 0.08 -0.75 4.36 3.64 1mp1A4 GLN 113 HB3 -0.15 -0.11 0.03 -0.04 2.02 1.74 1mp1A4 GLN 113 HG3 -0.12 0.10 -0.24 -0.04 2.39 2.09 1mp1A4 GLN 113 HE21 -0.10 -0.02 -0.06 -0.04 6.97 6.75 1mp1A4 GLN 113 HE22 -0.09 0.02 -0.09 -0.04 7.69 7.48 1mp1A4 GLN 113 HB2 -0.11 -0.04 0.02 -0.04 2.15 1.99 1mp1A4 GLN 113 HG2 -0.17 0.06 0.16 -0.04 2.40 2.40 1mp1A4 GLU 114 H -0.11 0.10 -1.11 -0.55 8.60 6.93 1mp1A4 GLU 114 HA -0.06 0.12 0.70 -0.75 4.29 4.29 1mp1A4 GLU 114 HB3 -0.06 -0.10 0.14 -0.04 1.99 1.92 1mp1A4 GLU 114 HG3 -0.09 0.15 0.10 -0.04 2.34 2.46 1mp1A4 GLU 114 HB2 -0.08 0.13 0.13 -0.04 2.09 2.22 1mp1A4 GLU 114 HG2 -0.08 -0.02 -0.12 -0.04 2.34 2.08 1mp1A4 ASN 115 H -0.08 0.51 -0.29 -0.55 8.53 8.13 1mp1A4 ASN 115 HA -0.05 0.11 0.67 -0.75 4.76 4.74 1mp1A4 ASN 115 HB3 -0.05 -0.44 0.26 -0.04 2.79 2.53 1mp1A4 ASN 115 HD21 -0.08 0.11 0.04 -0.04 7.03 7.06 1mp1A4 ASN 115 HD22 -0.05 -0.11 0.03 -0.04 7.74 7.56 1mp1A4 ASN 115 HB2 -0.07 0.22 0.29 -0.04 2.88 3.28 1mp1A4 ILE 116 H -0.03 -0.07 0.25 -0.55 8.25 7.85 1mp1A4 ILE 116 HA -0.03 0.35 0.99 -0.75 4.18 4.74 1mp1A4 ILE 116 HB -0.02 0.01 0.04 -0.04 1.89 1.88 1mp1A4 ILE 116 HG13 -0.01 -0.02 0.02 -0.04 1.21 1.15 1mp1A4 ILE 116 HG23 -0.01 -0.01 -0.00 -0.04 0.93 0.86 1mp1A4 ILE 116 HD13 -0.01 -0.00 -0.08 -0.04 0.88 0.75 1mp1A4 ILE 116 HG12 -0.02 0.09 0.09 -0.04 1.49 1.62 1mp1A4 ALA 117 H -0.02 -0.01 0.21 -0.55 8.40 8.03 1mp1A4 ALA 117 HA -0.01 0.23 0.62 -0.75 4.34 4.42 1mp1A4 ALA 117 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 1mp1A4 GLY 118 H -0.03 0.02 -0.60 -0.55 8.43 7.27 1mp1A4 GLY 118 HA2 -0.06 0.35 0.20 -0.51 4.01 3.99 1mp1A4 GLY 118 HA3 -0.04 0.05 0.45 -0.51 4.01 3.95 1mp1A4 ILE 119 H -0.04 0.05 -0.00 -0.55 8.25 7.71 1mp1A4 ILE 119 HA -0.02 0.25 0.98 -0.75 4.18 4.64 1mp1A4 ILE 119 HB 0.02 -0.11 -0.04 -0.04 1.89 1.72 1mp1A4 ILE 119 HG13 0.15 0.02 0.04 -0.04 1.21 1.39 1mp1A4 ILE 119 HG23 0.08 -0.00 -0.19 -0.04 0.93 0.78 1mp1A4 ILE 119 HD13 0.03 -0.02 -0.30 -0.04 0.88 0.55 1mp1A4 ILE 119 HG12 0.10 -0.00 -0.04 -0.04 1.49 1.51 1mp1A4 PRO 120 HA -0.24 0.15 0.43 -0.51 4.44 4.27 1mp1A4 PRO 120 HB3 -0.43 0.42 0.20 -0.04 2.02 2.16 1mp1A4 PRO 120 HG3 -0.61 0.09 -0.00 -0.04 2.03 1.46 1mp1A4 PRO 120 HD3 -0.16 0.27 0.21 -0.04 3.65 3.93 1mp1A4 PRO 120 HB2 -0.63 -0.17 0.07 -0.04 2.28 1.51 1mp1A4 PRO 120 HG2 -1.95 0.00 0.06 -0.04 2.03 0.10 1mp1A4 PRO 120 HD2 -0.14 0.09 0.20 -0.04 3.68 3.79 1mp1A4 SER 121 H -0.18 0.25 0.14 -0.55 8.46 8.12 1mp1A4 SER 121 HA -0.08 0.08 0.38 -0.75 4.49 4.12 1mp1A4 SER 121 HB3 -0.08 0.09 0.14 -0.04 3.93 4.03 1mp1A4 SER 121 HB2 -0.06 0.02 0.12 -0.04 3.95 3.99 1mp1A4 ALA 122 H -0.33 0.01 -0.59 -0.55 8.40 6.94 1mp1A4 ALA 122 HA -0.05 0.08 0.33 -0.75 4.34 3.94 1mp1A4 ALA 122 HB3 -0.28 0.01 -0.01 -0.04 1.41 1.10 1mp1A4 PHE 123 H -0.24 0.44 -0.33 -0.55 8.34 7.65 1mp1A4 PHE 123 HA 0.02 0.14 0.55 -0.75 4.62 4.57 1mp1A4 PHE 123 HB3 0.00 -0.01 -0.07 -0.04 3.06 2.94 1mp1A4 PHE 123 HD2 0.01 0.04 -0.27 -0.04 7.28 7.01 1mp1A4 PHE 123 HE2 0.09 0.00 -0.08 -0.04 7.38 7.34 1mp1A4 PHE 123 HZ -0.09 -0.08 0.04 -0.04 7.32 7.15 1mp1A4 PHE 123 HB2 -0.02 0.05 0.01 -0.04 3.15 3.15 1mp1A4 LEU 124 H 0.04 0.19 -0.05 -0.55 8.37 8.01 1mp1A4 LEU 124 HA 0.05 0.02 0.30 -0.75 4.35 3.97 1mp1A4 LEU 124 HB3 0.00 0.02 0.01 -0.04 1.64 1.64 1mp1A4 LEU 124 HG -0.02 0.12 -0.28 -0.04 1.64 1.42 1mp1A4 LEU 124 HD13 -0.04 -0.01 -0.07 -0.04 0.93 0.76 1mp1A4 LEU 124 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.81 1mp1A4 LEU 124 HB2 -0.01 -0.10 0.16 -0.04 1.64 1.64 1mp1A4 GLU 125 H 0.01 0.25 -0.05 -0.55 8.60 8.27 1mp1A4 GLU 125 HA 0.02 -0.03 0.36 -0.75 4.29 3.89 1mp1A4 GLU 125 HB3 0.02 0.01 0.10 -0.04 1.99 2.09 1mp1A4 GLU 125 HG3 0.02 0.05 -0.32 -0.04 2.34 2.05 1mp1A4 GLU 125 HB2 0.00 -0.07 0.10 -0.04 2.09 2.08 1mp1A4 GLU 125 HG2 0.01 -0.06 -0.04 -0.04 2.34 2.22 1mp1A4 LEU 126 H 0.06 0.06 -0.23 -0.55 8.37 7.71 1mp1A4 LEU 126 HA 0.04 -0.02 0.34 -0.75 4.35 3.96 1mp1A4 LEU 126 HB3 0.08 -0.09 0.15 -0.04 1.64 1.73 1mp1A4 LEU 126 HG 0.05 -0.06 0.01 -0.04 1.64 1.59 1mp1A4 LEU 126 HD13 0.08 -0.01 0.05 -0.04 0.93 1.01 1mp1A4 LEU 126 HD23 0.04 -0.01 0.04 -0.04 0.89 0.92 1mp1A4 LEU 126 HB2 0.12 0.28 0.10 -0.04 1.64 2.10 1mp1A4 LYS 127 H 0.04 0.04 0.13 -0.55 8.42 8.08 1mp1A4 LYS 127 HA 0.03 0.26 0.89 -0.75 4.32 4.74 1mp1A4 LYS 127 HB3 0.01 0.00 -0.09 -0.04 1.79 1.67 1mp1A4 LYS 127 HG3 0.02 0.14 0.03 -0.04 1.46 1.60 1mp1A4 LYS 127 HD3 0.01 -0.07 -0.01 -0.04 1.68 1.57 1mp1A4 LYS 127 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 1mp1A4 LYS 127 HB2 0.02 -0.07 0.10 -0.04 1.87 1.87 1mp1A4 LYS 127 HG2 0.01 -0.04 -0.00 -0.04 1.46 1.38 1mp1A4 LYS 127 HD2 0.02 0.10 -0.07 -0.04 1.69 1.70 1mp1A4 LYS 127 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.92 1mp1A4 LYS 128 H 0.01 0.18 0.09 -0.55 8.42 8.15 1mp1A4 LYS 128 HA -0.10 -0.02 0.40 -0.75 4.32 3.84 1mp1A4 LYS 128 HB3 -0.03 -0.03 0.09 -0.04 1.79 1.78 1mp1A4 LYS 128 HG3 -0.11 -0.08 -0.00 -0.04 1.46 1.22 1mp1A4 LYS 128 HD3 -0.11 0.40 -0.18 -0.04 1.68 1.75 1mp1A4 LYS 128 HE3 -0.11 -0.04 -0.02 -0.04 2.99 2.78 1mp1A4 LYS 128 HB2 -0.01 0.03 0.08 -0.04 1.87 1.93 1mp1A4 LYS 128 HG2 -0.27 -0.02 0.03 -0.04 1.46 1.16 1mp1A4 LYS 128 HD2 -0.05 -0.07 -0.08 -0.04 1.69 1.44 1mp1A4 LYS 128 HE2 -0.05 -0.07 -0.05 -0.04 2.99 2.77 1mp1A4 GLU 129 H -0.10 0.06 0.23 -0.55 8.60 8.25 1mp1A4 GLU 129 HA -0.03 0.01 0.44 -0.75 4.29 3.95 1mp1A4 GLU 129 HB3 -0.06 -0.04 0.08 -0.04 1.99 1.93 1mp1A4 GLU 129 HG3 -0.02 -0.00 0.02 -0.04 2.34 2.29 1mp1A4 GLU 129 HB2 -0.03 0.05 0.14 -0.04 2.09 2.20 1mp1A4 GLU 129 HG2 -0.02 -0.08 0.05 -0.04 2.34 2.25 1mp1A4 GLU 130 H -0.02 0.04 0.12 -0.55 8.60 8.18 1mp1A4 GLU 130 HA -0.02 -0.05 0.37 -0.75 4.29 3.84 1mp1A4 GLU 130 HB3 -0.04 0.19 -0.09 -0.04 1.99 2.01 1mp1A4 GLU 130 HG3 -0.01 0.27 -0.08 -0.04 2.34 2.48 1mp1A4 GLU 130 HB2 -0.02 -0.07 -0.13 -0.04 2.09 1.83 1mp1A4 GLU 130 HG2 -0.01 -0.05 -0.06 -0.04 2.34 2.18 1mp1A4 ILE 131 H -0.01 0.06 0.10 -0.55 8.25 7.84 1mp1A4 ILE 131 HA -0.02 0.14 0.62 -0.75 4.18 4.17 1mp1A4 ILE 131 HB -0.00 -0.03 0.08 -0.04 1.89 1.89 1mp1A4 ILE 131 HG13 -0.01 0.07 -0.09 -0.04 1.21 1.14 1mp1A4 ILE 131 HG23 -0.00 0.06 -0.04 -0.04 0.93 0.90 1mp1A4 ILE 131 HD13 -0.01 -0.01 0.01 -0.04 0.88 0.83 1mp1A4 ILE 131 HG12 -0.00 0.01 0.00 -0.04 1.49 1.46 1mp1A4 LYS 132 H -0.01 0.09 0.12 -0.55 8.42 8.06 1mp1A4 LYS 132 HA -0.01 0.02 0.34 -0.75 4.32 3.92 1mp1A4 LYS 132 HB3 -0.01 0.02 0.11 -0.04 1.79 1.87 1mp1A4 LYS 132 HG3 0.00 -0.05 0.08 -0.04 1.46 1.45 1mp1A4 LYS 132 HD3 0.01 0.00 -0.07 -0.04 1.68 1.58 1mp1A4 LYS 132 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 1mp1A4 LYS 132 HB2 0.00 0.02 0.02 -0.04 1.87 1.87 1mp1A4 LYS 132 HG2 0.00 0.01 0.04 -0.04 1.46 1.47 1mp1A4 LYS 132 HD2 0.01 0.03 -0.31 -0.04 1.69 1.38 1mp1A4 LYS 132 HE2 0.01 0.01 -0.04 -0.04 2.99 2.92 1mp1A4 GLN 133 H 0.01 0.16 0.22 -0.55 8.47 8.31 1mp1A4 GLN 133 HA 0.01 0.19 0.83 -0.75 4.36 4.64 1mp1A4 GLN 133 HB3 0.01 0.14 -0.11 -0.04 2.02 2.02 1mp1A4 GLN 133 HG3 0.03 -0.04 -0.26 -0.04 2.39 2.07 1mp1A4 GLN 133 HE21 0.03 -0.03 -0.10 -0.04 6.97 6.83 1mp1A4 GLN 133 HE22 0.02 -0.01 -0.05 -0.04 7.69 7.61 1mp1A4 GLN 133 HB2 0.02 -0.03 0.09 -0.04 2.15 2.19 1mp1A4 GLN 133 HG2 0.01 0.01 0.00 -0.04 2.40 2.38 1mp1A4 ARG 134 H 0.02 0.32 0.04 -0.55 8.46 8.29 1mp1A4 ARG 134 HA 0.05 0.17 0.41 -0.75 4.34 4.20 1mp1A4 ARG 134 HB3 0.02 0.02 0.02 -0.04 1.80 1.82 1mp1A4 ARG 134 HG3 0.04 -0.01 -0.03 -0.04 1.67 1.63 1mp1A4 ARG 134 HD3 0.06 -0.01 0.04 -0.04 3.22 3.27 1mp1A4 ARG 134 HB2 0.03 -0.01 -0.31 -0.04 1.90 1.56 1mp1A4 ARG 134 HG2 0.06 0.13 0.15 -0.04 1.67 1.96 1mp1A4 ARG 134 HD2 0.03 -0.02 0.03 -0.04 3.22 3.23