============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 7 1.000 22.187 27.636 17.235 -99.200 -91.000 PHE 8 1.000 18.093 33.327 11.376 -99.200 -91.000 HIS 22 0.900 22.214 58.371 17.213 -99.200 -91.000 PHE 25 1.000 25.506 53.600 23.115 -99.200 -91.000 TYR 27 0.840 17.487 60.011 28.763 -99.200 -91.000 PHE 29 1.000 27.511 59.354 25.107 -99.200 -91.000 PHE 45 1.000 30.193 54.063 21.305 -99.200 -91.000 PHE 53 1.000 27.290 54.297 28.003 -99.200 -91.000 TYR 69 0.840 21.988 51.872 25.890 -99.200 -91.000 TYR 72 0.840 15.568 56.784 24.604 -99.200 -91.000 TYR 73 0.840 17.201 49.203 23.551 -99.200 -91.000 TYR 79 0.840 8.216 49.655 23.091 -99.200 -91.000 PHE 84 1.000 18.972 45.556 9.346 -99.200 -91.000 TYR 98 0.840 17.726 24.130 7.153 -99.200 -91.000 TYR 101 0.840 16.594 26.298 17.843 -99.200 -91.000 HIS 120 0.900 8.182 34.393 20.797 -99.200 -91.000 HIS 121 0.900 5.142 34.326 13.393 -99.200 -91.000 PHE 122 1.000 8.379 33.978 10.622 -99.200 -91.000 PHE 123 1.000 13.517 33.530 15.168 -99.200 -91.000 TYR 127 0.840 17.668 28.931 23.804 -99.200 -91.000 HIS 135 0.900 31.511 37.214 27.990 -99.200 -91.000 HIS 141 0.900 29.737 25.991 24.379 -99.200 -91.000 HIS 147 0.900 16.143 23.687 21.401 -99.200 -91.000 PHE 162 1.000 31.933 41.939 20.050 -99.200 -91.000 TRP 178 1.040 21.023 42.495 6.757 -99.200 -91.000 TRP6 178 1.020 21.137 40.277 5.939 -99.200 -91.000 PHE 180 1.000 22.700 47.643 13.636 -99.200 -91.000 TYR 189 0.840 36.971 37.686 13.535 -99.200 -91.000 TYR 193 0.840 26.266 31.924 1.119 -99.200 -91.000 HIS 196 0.900 25.049 41.966 -1.761 -99.200 -91.000 TYR 204 0.840 26.384 27.473 3.551 -99.200 -91.000 PHE 205 1.000 21.242 27.705 5.319 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ah5A1 THR 2 HA 0.01 0.05 0.20 -0.75 4.39 3.89 2ah5A1 THR 2 HB -0.00 -0.00 0.01 -0.04 4.32 4.28 2ah5A1 THR 2 HG23 -0.04 -0.00 0.04 -0.04 1.22 1.17 2ah5A1 SER 3 H -0.00 0.13 0.10 -0.55 8.46 8.14 2ah5A1 SER 3 HA 0.02 0.11 0.60 -0.75 4.49 4.47 2ah5A1 SER 3 HB2 0.01 -0.08 0.07 -0.04 3.95 3.91 2ah5A1 SER 3 HB3 0.01 -0.08 0.08 -0.04 3.93 3.90 2ah5A1 ILE 4 H 0.04 0.06 -0.23 -0.55 8.25 7.58 2ah5A1 ILE 4 HA 0.04 0.05 0.41 -0.75 4.18 3.93 2ah5A1 ILE 4 HB 0.13 0.00 -0.01 -0.04 1.89 1.98 2ah5A1 ILE 4 HG12 0.02 0.04 -0.30 -0.04 1.49 1.21 2ah5A1 ILE 4 HG13 0.03 -0.04 -0.05 -0.04 1.21 1.11 2ah5A1 ILE 4 HG23 0.04 0.01 -0.22 -0.04 0.93 0.72 2ah5A1 ILE 4 HD13 0.09 -0.02 -0.10 -0.04 0.88 0.81 2ah5A1 THR 5 H 0.07 0.57 0.46 -0.55 8.28 8.83 2ah5A1 THR 5 HA 0.24 0.22 0.88 -0.75 4.39 4.98 2ah5A1 THR 5 HB 0.10 -0.05 0.21 -0.04 4.32 4.55 2ah5A1 THR 5 HG23 0.07 0.04 -0.06 -0.04 1.22 1.22 2ah5A1 ALA 6 H 0.05 0.36 0.31 -0.55 8.40 8.57 2ah5A1 ALA 6 HA 0.22 0.30 0.88 -0.75 4.34 4.98 2ah5A1 ALA 6 HB3 0.21 -0.01 -0.10 -0.04 1.41 1.47 2ah5A1 ILE 7 H 0.18 0.58 0.27 -0.55 8.25 8.72 2ah5A1 ILE 7 HA -0.16 0.16 1.09 -0.75 4.18 4.51 2ah5A1 ILE 7 HB -0.02 0.00 0.07 -0.04 1.89 1.90 2ah5A1 ILE 7 HG12 -0.45 0.03 -0.23 -0.04 1.49 0.80 2ah5A1 ILE 7 HG13 -0.51 0.04 -0.34 -0.04 1.21 0.37 2ah5A1 ILE 7 HG23 -0.47 -0.02 -0.16 -0.04 0.93 0.24 2ah5A1 ILE 7 HD13 -1.22 -0.00 -0.14 -0.04 0.88 -0.52 2ah5A1 PHE 8 H -0.05 0.79 0.41 -0.55 8.34 8.94 2ah5A1 PHE 8 HA 0.24 0.23 0.95 -0.75 4.62 5.28 2ah5A1 PHE 8 HB2 -0.01 -0.02 0.11 -0.04 3.15 3.19 2ah5A1 PHE 8 HB3 0.07 -0.07 -0.08 -0.04 3.06 2.94 2ah5A1 PHE 8 HD2 0.15 0.00 -0.35 -0.04 7.28 7.04 2ah5A1 PHE 8 HE2 -0.11 0.05 -0.21 -0.04 7.38 7.07 2ah5A1 PHE 8 HZ -0.12 0.04 -0.32 -0.04 7.32 6.88 2ah5A1 PHE 9 H 0.41 0.59 0.45 -0.55 8.34 9.23 2ah5A1 PHE 9 HA 0.12 0.18 1.14 -0.75 4.62 5.31 2ah5A1 PHE 9 HB2 0.10 -0.01 0.15 -0.04 3.15 3.35 2ah5A1 PHE 9 HB3 0.11 0.14 0.07 -0.04 3.06 3.34 2ah5A1 PHE 9 HD2 0.25 0.05 -0.07 -0.04 7.28 7.48 2ah5A1 PHE 9 HE2 0.09 0.01 -0.11 -0.04 7.38 7.33 2ah5A1 PHE 9 HZ -0.03 0.02 -0.13 -0.04 7.32 7.15 2ah5A1 ASP 10 H 0.12 0.57 0.36 -0.55 8.40 8.90 2ah5A1 ASP 10 HA 0.08 0.24 0.75 -0.75 4.63 4.94 2ah5A1 ASP 10 HB2 0.04 0.02 0.26 -0.04 2.71 2.99 2ah5A1 ASP 10 HB3 0.05 -0.05 0.07 -0.04 2.70 2.74 2ah5A1 LEU 11 H 0.06 0.04 0.12 -0.55 8.37 8.04 2ah5A1 LEU 11 HA 0.06 0.20 0.67 -0.75 4.35 4.53 2ah5A1 LEU 11 HB2 -0.01 0.09 -0.00 -0.04 1.64 1.68 2ah5A1 LEU 11 HB3 0.04 -0.20 0.23 -0.04 1.64 1.67 2ah5A1 LEU 11 HG 0.06 -0.05 -0.14 -0.04 1.64 1.47 2ah5A1 LEU 11 HD13 -0.02 0.02 -0.04 -0.04 0.93 0.85 2ah5A1 LEU 11 HD23 0.00 0.04 -0.01 -0.04 0.89 0.88 2ah5A1 ASP 12 H 0.09 0.09 0.17 -0.55 8.40 8.21 2ah5A1 ASP 12 HA 0.18 0.13 0.57 -0.75 4.63 4.75 2ah5A1 ASP 12 HB2 0.17 -0.01 0.13 -0.04 2.71 2.96 2ah5A1 ASP 12 HB3 0.35 0.07 0.04 -0.04 2.70 3.12 2ah5A1 GLY 13 H 0.02 0.60 0.35 -0.55 8.43 8.86 2ah5A1 GLY 13 HA2 -1.39 0.04 0.38 -0.51 4.01 2.53 2ah5A1 GLY 13 HA3 -0.52 0.03 0.45 -0.51 4.01 3.46 2ah5A1 THR 14 H 0.12 0.23 -0.64 -0.55 8.28 7.45 2ah5A1 THR 14 HA -0.13 0.14 0.75 -0.75 4.39 4.39 2ah5A1 THR 14 HB 0.13 0.10 -0.22 -0.04 4.32 4.28 2ah5A1 THR 14 HG23 0.21 0.05 -0.17 -0.04 1.22 1.26 2ah5A1 LEU 15 H 0.23 0.40 0.16 -0.55 8.37 8.60 2ah5A1 LEU 15 HA 0.30 0.11 0.68 -0.75 4.35 4.69 2ah5A1 LEU 15 HB2 0.12 -0.01 0.16 -0.04 1.64 1.87 2ah5A1 LEU 15 HB3 0.11 -0.03 0.04 -0.04 1.64 1.71 2ah5A1 LEU 15 HG 0.22 0.11 0.10 -0.04 1.64 2.03 2ah5A1 LEU 15 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.82 2ah5A1 LEU 15 HD23 -0.12 0.00 -0.04 -0.04 0.89 0.69 2ah5A1 VAL 16 H 0.24 0.32 0.06 -0.55 8.24 8.32 2ah5A1 VAL 16 HA 0.03 0.21 0.65 -0.75 4.13 4.26 2ah5A1 VAL 16 HB 0.11 -0.11 -0.13 -0.04 2.12 1.95 2ah5A1 VAL 16 HG13 0.06 -0.00 -0.39 -0.04 0.97 0.60 2ah5A1 VAL 16 HG23 0.07 0.03 -0.25 -0.04 0.95 0.77 2ah5A1 ASP 17 H -0.44 0.68 0.25 -0.55 8.40 8.33 2ah5A1 ASP 17 HA -0.23 0.02 0.86 -0.75 4.63 4.53 2ah5A1 ASP 17 HB2 -1.78 0.05 0.06 -0.04 2.71 1.01 2ah5A1 ASP 17 HB3 -0.41 0.14 0.20 -0.04 2.70 2.59 2ah5A1 SER 18 H 0.41 0.24 0.05 -0.55 8.46 8.61 2ah5A1 SER 18 HA 0.14 0.21 0.57 -0.75 4.49 4.65 2ah5A1 SER 18 HB2 0.27 0.03 0.09 -0.04 3.95 4.30 2ah5A1 SER 18 HB3 0.20 0.05 -0.04 -0.04 3.93 4.10 2ah5A1 SER 19 H 0.27 0.09 -0.40 -0.55 8.46 7.87 2ah5A1 SER 19 HA -0.07 0.06 0.20 -0.75 4.49 3.93 2ah5A1 SER 19 HB2 -0.09 0.04 0.00 -0.04 3.95 3.86 2ah5A1 SER 19 HB3 -0.20 0.02 0.07 -0.04 3.93 3.78 2ah5A1 ILE 20 H 0.08 0.16 -0.15 -0.55 8.25 7.79 2ah5A1 ILE 20 HA 0.06 0.02 0.43 -0.75 4.18 3.94 2ah5A1 ILE 20 HB 0.06 0.11 -0.00 -0.04 1.89 2.02 2ah5A1 ILE 20 HG12 0.01 -0.00 0.00 -0.04 1.49 1.46 2ah5A1 ILE 20 HG13 0.04 -0.09 0.01 -0.04 1.21 1.13 2ah5A1 ILE 20 HG23 0.06 0.00 -0.08 -0.04 0.93 0.87 2ah5A1 ILE 20 HD13 0.03 0.02 -0.05 -0.04 0.88 0.84 2ah5A1 GLY 21 H 0.12 0.61 0.01 -0.55 8.43 8.63 2ah5A1 GLY 21 HA2 0.18 -0.05 0.49 -0.51 4.01 4.12 2ah5A1 GLY 21 HA3 0.12 0.42 0.44 -0.51 4.01 4.48 2ah5A1 ILE 22 H 0.23 0.50 -0.10 -0.55 8.25 8.32 2ah5A1 ILE 22 HA 0.18 0.01 0.52 -0.75 4.18 4.13 2ah5A1 ILE 22 HB 0.14 0.03 0.07 -0.04 1.89 2.10 2ah5A1 ILE 22 HG12 0.04 -0.04 -0.03 -0.04 1.49 1.41 2ah5A1 ILE 22 HG13 0.27 0.14 -0.00 -0.04 1.21 1.58 2ah5A1 ILE 22 HG23 0.31 0.01 -0.12 -0.04 0.93 1.08 2ah5A1 ILE 22 HD13 0.14 -0.02 -0.14 -0.04 0.88 0.82 2ah5A1 HIS 23 H 0.24 0.68 -0.02 -0.55 8.41 8.77 2ah5A1 HIS 23 HA 0.25 0.00 0.36 -0.75 4.63 4.49 2ah5A1 HIS 23 HB2 0.05 0.05 0.12 -0.04 3.26 3.44 2ah5A1 HIS 23 HB3 0.07 0.11 0.18 -0.04 3.20 3.51 2ah5A1 HIS 23 HD2 0.00 -0.00 -0.02 -0.04 6.97 6.91 2ah5A1 HIS 23 HE1 0.05 0.00 -0.06 -0.04 7.75 7.70 2ah5A1 ASN 24 H 0.18 0.67 -0.11 -0.55 8.53 8.72 2ah5A1 ASN 24 HA 0.00 -0.02 0.45 -0.75 4.76 4.44 2ah5A1 ASN 24 HB2 0.10 0.08 0.14 -0.04 2.88 3.16 2ah5A1 ASN 24 HB3 -0.27 -0.05 -0.03 -0.04 2.79 2.39 2ah5A1 ASN 24 HD21 0.11 -0.04 -0.05 -0.04 7.03 7.01 2ah5A1 ASN 24 HD22 0.20 -0.01 -0.08 -0.04 7.74 7.82 2ah5A1 ALA 25 H -0.11 0.59 -0.19 -0.55 8.40 8.14 2ah5A1 ALA 25 HA -0.58 -0.02 0.61 -0.75 4.34 3.59 2ah5A1 ALA 25 HB3 -0.73 0.02 0.17 -0.04 1.41 0.83 2ah5A1 PHE 26 H 0.04 0.62 -0.07 -0.55 8.34 8.37 2ah5A1 PHE 26 HA 0.08 -0.00 0.51 -0.75 4.62 4.46 2ah5A1 PHE 26 HB2 0.02 0.14 0.20 -0.04 3.15 3.47 2ah5A1 PHE 26 HB3 0.20 -0.04 0.00 -0.04 3.06 3.18 2ah5A1 PHE 26 HD2 -0.09 0.01 -0.05 -0.04 7.28 7.10 2ah5A1 PHE 26 HE2 -0.74 0.00 -0.03 -0.04 7.38 6.57 2ah5A1 PHE 26 HZ -0.43 0.05 0.01 -0.04 7.32 6.91 2ah5A1 THR 27 H 0.02 0.56 -0.04 -0.55 8.28 8.28 2ah5A1 THR 27 HA 0.29 0.02 0.33 -0.75 4.39 4.27 2ah5A1 THR 27 HB 0.09 -0.04 0.05 -0.04 4.32 4.38 2ah5A1 THR 27 HG23 -0.12 0.04 0.02 -0.04 1.22 1.12 2ah5A1 TYR 28 H -0.07 0.68 -0.12 -0.55 8.29 8.22 2ah5A1 TYR 28 HA -0.06 -0.00 0.56 -0.75 4.56 4.31 2ah5A1 TYR 28 HB2 -0.46 0.02 0.14 -0.04 3.06 2.72 2ah5A1 TYR 28 HB3 -0.33 0.10 0.16 -0.04 2.98 2.88 2ah5A1 TYR 28 HD2 0.03 0.02 -0.08 -0.04 7.15 7.08 2ah5A1 TYR 28 HE2 0.06 -0.00 -0.04 -0.04 6.85 6.83 2ah5A1 THR 29 H -0.04 0.47 -0.29 -0.55 8.28 7.88 2ah5A1 THR 29 HA -0.18 -0.02 0.43 -0.75 4.39 3.87 2ah5A1 THR 29 HB -0.19 0.15 0.20 -0.04 4.32 4.43 2ah5A1 THR 29 HG23 -0.33 -0.03 -0.00 -0.04 1.22 0.82 2ah5A1 PHE 30 H -0.22 0.55 0.01 -0.55 8.34 8.13 2ah5A1 PHE 30 HA 0.04 -0.01 0.44 -0.75 4.62 4.33 2ah5A1 PHE 30 HB2 0.06 -0.01 0.07 -0.04 3.15 3.22 2ah5A1 PHE 30 HB3 0.05 0.22 -0.17 -0.04 3.06 3.12 2ah5A1 PHE 30 HD2 0.12 -0.06 -0.10 -0.04 7.28 7.21 2ah5A1 PHE 30 HE2 0.26 -0.05 -0.08 -0.04 7.38 7.46 2ah5A1 PHE 30 HZ 0.26 -0.03 -0.07 -0.04 7.32 7.43 2ah5A1 LYS 31 H 0.05 0.61 -0.17 -0.55 8.42 8.35 2ah5A1 LYS 31 HA 0.02 0.01 0.49 -0.75 4.32 4.08 2ah5A1 LYS 31 HB2 0.02 -0.04 0.13 -0.04 1.87 1.93 2ah5A1 LYS 31 HB3 -0.11 0.13 0.22 -0.04 1.79 1.99 2ah5A1 LYS 31 HG2 -0.10 0.03 -0.30 -0.04 1.46 1.06 2ah5A1 LYS 31 HG3 -0.01 -0.05 0.01 -0.04 1.46 1.37 2ah5A1 LYS 31 HD2 0.05 -0.04 0.00 -0.04 1.69 1.66 2ah5A1 LYS 31 HD3 0.03 0.01 0.01 -0.04 1.68 1.69 2ah5A1 LYS 31 HE2 0.03 0.01 -0.04 -0.04 2.99 2.94 2ah5A1 LYS 31 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 2ah5A1 GLU 32 H -0.26 0.54 -0.15 -0.55 8.60 8.18 2ah5A1 GLU 32 HA -0.14 0.01 0.38 -0.75 4.29 3.79 2ah5A1 GLU 32 HB2 -0.28 0.08 0.17 -0.04 2.09 2.03 2ah5A1 GLU 32 HB3 -0.16 -0.08 0.04 -0.04 1.99 1.75 2ah5A1 GLU 32 HG2 -1.13 0.21 0.08 -0.04 2.34 1.46 2ah5A1 GLU 32 HG3 -0.56 -0.08 0.00 -0.04 2.34 1.66 2ah5A1 LEU 33 H -0.05 0.48 -0.15 -0.55 8.37 8.11 2ah5A1 LEU 33 HA -0.02 0.04 0.55 -0.75 4.35 4.16 2ah5A1 LEU 33 HB2 0.08 0.06 0.07 -0.04 1.64 1.81 2ah5A1 LEU 33 HB3 0.03 -0.07 0.07 -0.04 1.64 1.63 2ah5A1 LEU 33 HG -0.09 0.18 0.02 -0.04 1.64 1.72 2ah5A1 LEU 33 HD13 -0.09 -0.04 -0.06 -0.04 0.93 0.70 2ah5A1 LEU 33 HD23 -0.07 -0.02 -0.08 -0.04 0.89 0.68 2ah5A1 GLY 34 H 0.01 0.30 -0.49 -0.55 8.43 7.70 2ah5A1 GLY 34 HA2 0.01 0.04 0.29 -0.51 4.01 3.84 2ah5A1 GLY 34 HA3 0.01 -0.02 0.39 -0.51 4.01 3.87 2ah5A1 VAL 35 H 0.09 0.59 0.05 -0.55 8.24 8.41 2ah5A1 VAL 35 HA 0.02 0.16 0.86 -0.75 4.13 4.42 2ah5A1 VAL 35 HB 0.01 0.05 0.03 -0.04 2.12 2.18 2ah5A1 VAL 35 HG13 0.05 0.01 -0.20 -0.04 0.97 0.79 2ah5A1 VAL 35 HG23 0.22 0.00 -0.10 -0.04 0.95 1.03 2ah5A1 PRO 36 HA -0.01 -0.00 0.45 -0.51 4.44 4.37 2ah5A1 PRO 36 HB2 -0.07 0.01 -0.03 -0.04 2.28 2.15 2ah5A1 PRO 36 HB3 -0.03 0.00 0.06 -0.04 2.02 2.01 2ah5A1 PRO 36 HG2 -0.03 0.01 0.06 -0.04 2.03 2.03 2ah5A1 PRO 36 HG3 -0.01 0.03 0.04 -0.04 2.03 2.05 2ah5A1 PRO 36 HD2 -0.04 0.09 0.17 -0.04 3.68 3.87 2ah5A1 PRO 36 HD3 -0.01 0.17 0.20 -0.04 3.65 3.97 2ah5A1 SER 37 H -0.01 0.05 0.15 -0.55 8.46 8.10 2ah5A1 SER 37 HA -0.37 0.14 0.66 -0.75 4.49 4.17 2ah5A1 SER 37 HB2 0.13 -0.01 0.12 -0.04 3.95 4.15 2ah5A1 SER 37 HB3 0.03 -0.08 0.10 -0.04 3.93 3.94 2ah5A1 PRO 38 HA -0.13 0.05 0.54 -0.51 4.44 4.39 2ah5A1 PRO 38 HB2 -0.22 0.01 -0.11 -0.04 2.28 1.92 2ah5A1 PRO 38 HB3 -0.17 -0.03 0.07 -0.04 2.02 1.85 2ah5A1 PRO 38 HG2 -0.06 0.03 -0.02 -0.04 2.03 1.94 2ah5A1 PRO 38 HG3 -0.23 0.10 0.02 -0.04 2.03 1.88 2ah5A1 PRO 38 HD2 -0.40 0.03 0.15 -0.04 3.68 3.42 2ah5A1 PRO 38 HD3 -1.06 0.32 0.19 -0.04 3.65 3.05 2ah5A1 ASP 39 H -0.09 0.07 0.12 -0.55 8.40 7.95 2ah5A1 ASP 39 HA -0.01 0.22 0.47 -0.75 4.63 4.56 2ah5A1 ASP 39 HB2 -0.02 -0.07 0.18 -0.04 2.71 2.76 2ah5A1 ASP 39 HB3 -0.03 0.12 0.12 -0.04 2.70 2.87 2ah5A1 ALA 40 H 0.02 0.18 0.15 -0.55 8.40 8.20 2ah5A1 ALA 40 HA 0.12 0.13 0.35 -0.75 4.34 4.18 2ah5A1 ALA 40 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2ah5A1 LYS 41 H -0.04 0.06 -0.14 -0.55 8.42 7.75 2ah5A1 LYS 41 HA -0.05 0.13 0.44 -0.75 4.32 4.09 2ah5A1 LYS 41 HB2 -0.03 -0.01 0.09 -0.04 1.87 1.89 2ah5A1 LYS 41 HB3 -0.06 -0.01 0.03 -0.04 1.79 1.71 2ah5A1 LYS 41 HG2 -0.04 0.03 -0.07 -0.04 1.46 1.34 2ah5A1 LYS 41 HG3 -0.02 0.03 0.04 -0.04 1.46 1.47 2ah5A1 LYS 41 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2ah5A1 LYS 41 HD3 -0.01 0.02 -0.00 -0.04 1.68 1.65 2ah5A1 LYS 41 HE2 -0.02 -0.05 0.02 -0.04 2.99 2.90 2ah5A1 LYS 41 HE3 -0.01 0.02 0.00 -0.04 2.99 2.97 2ah5A1 THR 42 H -0.14 0.02 -0.23 -0.55 8.28 7.38 2ah5A1 THR 42 HA -0.26 0.06 0.37 -0.75 4.39 3.81 2ah5A1 THR 42 HB -0.27 0.10 0.04 -0.04 4.32 4.14 2ah5A1 THR 42 HG23 -0.41 0.02 -0.10 -0.04 1.22 0.69 2ah5A1 ILE 43 H -0.30 0.50 -0.24 -0.55 8.25 7.65 2ah5A1 ILE 43 HA -1.12 0.04 0.34 -0.75 4.18 2.69 2ah5A1 ILE 43 HB -0.05 0.02 0.04 -0.04 1.89 1.85 2ah5A1 ILE 43 HG12 -0.26 -0.02 -0.06 -0.04 1.49 1.11 2ah5A1 ILE 43 HG13 -0.30 0.01 -0.15 -0.04 1.21 0.73 2ah5A1 ILE 43 HG23 -0.07 -0.01 -0.06 -0.04 0.93 0.74 2ah5A1 ILE 43 HD13 -0.16 -0.00 -0.09 -0.04 0.88 0.59 2ah5A1 ARG 44 H -0.15 0.56 -0.16 -0.55 8.46 8.16 2ah5A1 ARG 44 HA -0.12 -0.04 0.47 -0.75 4.34 3.90 2ah5A1 ARG 44 HB2 -0.06 0.18 0.24 -0.04 1.90 2.22 2ah5A1 ARG 44 HB3 -0.02 0.01 0.04 -0.04 1.80 1.79 2ah5A1 ARG 44 HG2 -0.06 -0.07 0.06 -0.04 1.67 1.56 2ah5A1 ARG 44 HG3 -0.03 0.12 0.04 -0.04 1.67 1.76 2ah5A1 ARG 44 HD2 0.05 0.06 0.02 -0.04 3.22 3.31 2ah5A1 ARG 44 HD3 0.04 -0.05 -0.01 -0.04 3.22 3.16 2ah5A1 GLY 45 H -0.22 0.37 -0.34 -0.55 8.43 7.70 2ah5A1 GLY 45 HA2 0.02 -0.02 0.40 -0.51 4.01 3.89 2ah5A1 GLY 45 HA3 -0.07 -0.01 0.30 -0.51 4.01 3.73 2ah5A1 PHE 46 H -0.25 0.31 -0.45 -0.55 8.34 7.39 2ah5A1 PHE 46 HA -0.10 0.08 0.57 -0.75 4.62 4.41 2ah5A1 PHE 46 HB2 -0.51 0.16 0.12 -0.04 3.15 2.87 2ah5A1 PHE 46 HB3 -0.38 -0.09 0.07 -0.04 3.06 2.62 2ah5A1 PHE 46 HD2 -1.04 -0.01 -0.16 -0.04 7.28 6.03 2ah5A1 PHE 46 HE2 -0.14 -0.02 -0.09 -0.04 7.38 7.08 2ah5A1 PHE 46 HZ -0.12 -0.01 -0.12 -0.04 7.32 7.04 2ah5A1 GLY 48 HA2 0.04 -0.18 0.27 -0.51 4.01 3.64 2ah5A1 GLY 48 HA3 0.16 -0.10 0.18 -0.51 4.01 3.75 2ah5A1 PRO 49 HA -0.70 -0.01 0.48 -0.51 4.44 3.70 2ah5A1 PRO 49 HB2 -0.01 0.04 -0.09 -0.04 2.28 2.18 2ah5A1 PRO 49 HB3 0.14 -0.05 0.07 -0.04 2.02 2.15 2ah5A1 PRO 49 HG2 0.16 0.17 0.10 -0.04 2.03 2.42 2ah5A1 PRO 49 HG3 0.32 -0.08 0.06 -0.04 2.03 2.29 2ah5A1 PRO 49 HD2 0.10 0.14 -0.36 -0.04 3.68 3.52 2ah5A1 PRO 49 HD3 0.19 0.04 0.06 -0.04 3.65 3.90 2ah5A1 PRO 50 HA -0.14 0.10 0.54 -0.51 4.44 4.43 2ah5A1 PRO 50 HB2 -0.05 -0.20 0.05 -0.04 2.28 2.04 2ah5A1 PRO 50 HB3 -0.05 0.06 0.14 -0.04 2.02 2.13 2ah5A1 PRO 50 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 2ah5A1 PRO 50 HG3 -0.09 0.08 0.12 -0.04 2.03 2.11 2ah5A1 PRO 50 HD2 -0.05 0.08 0.20 -0.04 3.68 3.86 2ah5A1 PRO 50 HD3 -0.42 0.14 0.21 -0.04 3.65 3.54 2ah5A1 LEU 51 H -0.14 0.16 0.19 -0.55 8.37 8.03 2ah5A1 LEU 51 HA -0.25 0.19 0.41 -0.75 4.35 3.95 2ah5A1 LEU 51 HB2 -0.24 0.04 0.19 -0.04 1.64 1.58 2ah5A1 LEU 51 HB3 -0.12 -0.06 0.09 -0.04 1.64 1.52 2ah5A1 LEU 51 HG -0.22 -0.02 -0.05 -0.04 1.64 1.30 2ah5A1 LEU 51 HD13 -1.21 0.02 0.03 -0.04 0.93 -0.27 2ah5A1 LEU 51 HD23 -0.41 -0.00 0.03 -0.04 0.89 0.46 2ah5A1 GLU 52 H -0.04 0.09 -0.12 -0.55 8.60 7.98 2ah5A1 GLU 52 HA 0.10 0.07 0.33 -0.75 4.29 4.04 2ah5A1 GLU 52 HB2 0.00 -0.01 0.04 -0.04 2.09 2.08 2ah5A1 GLU 52 HB3 0.02 0.05 -0.01 -0.04 1.99 2.01 2ah5A1 GLU 52 HG2 0.01 0.04 -0.01 -0.04 2.34 2.33 2ah5A1 GLU 52 HG3 0.03 0.01 -0.02 -0.04 2.34 2.32 2ah5A1 SER 53 H -0.05 0.08 -0.39 -0.55 8.46 7.56 2ah5A1 SER 53 HA -0.01 0.04 0.37 -0.75 4.49 4.13 2ah5A1 SER 53 HB2 -0.01 -0.09 0.07 -0.04 3.95 3.89 2ah5A1 SER 53 HB3 -0.04 0.18 0.04 -0.04 3.93 4.07 2ah5A1 SER 54 H -0.20 0.46 -0.15 -0.55 8.46 8.01 2ah5A1 SER 54 HA -0.45 0.05 0.48 -0.75 4.49 3.81 2ah5A1 SER 54 HB2 -0.60 0.06 0.13 -0.04 3.95 3.50 2ah5A1 SER 54 HB3 -1.95 -0.04 -0.04 -0.04 3.93 1.86 2ah5A1 PHE 55 H -0.22 0.58 -0.05 -0.55 8.34 8.10 2ah5A1 PHE 55 HA -0.05 0.05 0.38 -0.75 4.62 4.24 2ah5A1 PHE 55 HB2 -0.06 0.05 0.07 -0.04 3.15 3.17 2ah5A1 PHE 55 HB3 -0.00 -0.06 -0.06 -0.04 3.06 2.89 2ah5A1 PHE 55 HD2 0.02 -0.02 -0.11 -0.04 7.28 7.14 2ah5A1 PHE 55 HE2 -0.37 -0.00 -0.10 -0.04 7.38 6.86 2ah5A1 PHE 55 HZ -0.08 0.02 -0.03 -0.04 7.32 7.19 2ah5A1 ALA 56 H 0.03 0.47 -0.31 -0.55 8.40 8.04 2ah5A1 ALA 56 HA 0.05 0.02 0.47 -0.75 4.34 4.13 2ah5A1 ALA 56 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2ah5A1 THR 57 H -0.05 0.42 -0.35 -0.55 8.28 7.75 2ah5A1 THR 57 HA 0.03 0.01 0.40 -0.75 4.39 4.08 2ah5A1 THR 57 HB 0.07 -0.09 0.11 -0.04 4.32 4.37 2ah5A1 THR 57 HG23 0.02 0.03 0.06 -0.04 1.22 1.29 2ah5A1 CYS 58 H 0.09 0.32 -0.40 -0.55 8.50 7.96 2ah5A1 CYS 58 HA 0.04 0.17 0.94 -0.75 4.58 4.99 2ah5A1 CYS 58 HB2 -0.01 -0.01 0.08 -0.04 2.97 2.99 2ah5A1 CYS 58 HB3 0.07 -0.02 -0.18 -0.04 2.97 2.79 2ah5A1 LEU 59 H 0.10 0.40 0.11 -0.55 8.37 8.44 2ah5A1 LEU 59 HA 0.08 0.16 0.88 -0.75 4.35 4.71 2ah5A1 LEU 59 HB2 0.11 0.06 -0.08 -0.04 1.64 1.68 2ah5A1 LEU 59 HB3 0.05 -0.08 -0.00 -0.04 1.64 1.57 2ah5A1 LEU 59 HG 0.39 -0.01 -0.25 -0.04 1.64 1.72 2ah5A1 LEU 59 HD13 -0.09 -0.03 -0.10 -0.04 0.93 0.67 2ah5A1 LEU 59 HD23 0.21 0.05 -0.03 -0.04 0.89 1.08 2ah5A1 SER 60 H 0.03 0.14 0.11 -0.55 8.46 8.19 2ah5A1 SER 60 HA 0.02 0.14 0.60 -0.75 4.49 4.50 2ah5A1 SER 60 HB2 0.01 -0.01 0.10 -0.04 3.95 4.01 2ah5A1 SER 60 HB3 0.01 -0.09 0.08 -0.04 3.93 3.89 2ah5A1 LYS 61 H 0.01 0.20 0.20 -0.55 8.42 8.27 2ah5A1 LYS 61 HA 0.01 0.11 0.36 -0.75 4.32 4.05 2ah5A1 LYS 61 HB2 0.01 0.10 0.17 -0.04 1.87 2.11 2ah5A1 LYS 61 HB3 0.01 -0.03 0.15 -0.04 1.79 1.87 2ah5A1 LYS 61 HG2 0.00 -0.03 -0.12 -0.04 1.46 1.28 2ah5A1 LYS 61 HG3 0.01 0.02 0.06 -0.04 1.46 1.51 2ah5A1 LYS 61 HD2 0.01 0.01 -0.00 -0.04 1.69 1.66 2ah5A1 LYS 61 HD3 0.01 0.04 0.03 -0.04 1.68 1.71 2ah5A1 LYS 61 HE2 0.01 -0.03 0.02 -0.04 2.99 2.94 2ah5A1 LYS 61 HE3 0.00 -0.02 -0.06 -0.04 2.99 2.88 2ah5A1 ASP 62 H 0.00 0.10 -0.17 -0.55 8.40 7.78 2ah5A1 ASP 62 HA -0.01 0.08 0.43 -0.75 4.63 4.37 2ah5A1 ASP 62 HB2 -0.01 0.05 0.06 -0.04 2.71 2.77 2ah5A1 ASP 62 HB3 -0.00 0.01 0.09 -0.04 2.70 2.76 2ah5A1 GLN 63 H -0.01 0.58 -0.49 -0.55 8.47 8.00 2ah5A1 GLN 63 HA -0.04 0.17 0.90 -0.75 4.36 4.64 2ah5A1 GLN 63 HB2 -0.01 0.09 0.07 -0.04 2.15 2.25 2ah5A1 GLN 63 HB3 -0.05 -0.02 0.07 -0.04 2.02 1.98 2ah5A1 GLN 63 HG2 -0.03 0.02 -0.01 -0.04 2.40 2.34 2ah5A1 GLN 63 HG3 -0.01 -0.06 -0.10 -0.04 2.39 2.18 2ah5A1 GLN 63 HE21 -0.01 0.14 0.03 -0.04 6.97 7.09 2ah5A1 GLN 63 HE22 -0.02 -0.04 0.01 -0.04 7.69 7.60 2ah5A1 ILE 64 H -0.03 0.46 -0.13 -0.55 8.25 8.00 2ah5A1 ILE 64 HA -0.11 0.08 0.19 -0.75 4.18 3.58 2ah5A1 ILE 64 HB -0.01 0.02 0.10 -0.04 1.89 1.97 2ah5A1 ILE 64 HG12 0.01 0.11 0.10 -0.04 1.49 1.66 2ah5A1 ILE 64 HG13 0.03 0.01 -0.02 -0.04 1.21 1.19 2ah5A1 ILE 64 HG23 0.05 -0.01 -0.10 -0.04 0.93 0.82 2ah5A1 ILE 64 HD13 0.06 -0.01 -0.36 -0.04 0.88 0.52 2ah5A1 SER 65 H -0.04 0.21 -0.12 -0.55 8.46 7.96 2ah5A1 SER 65 HA -0.03 0.03 0.40 -0.75 4.49 4.14 2ah5A1 SER 65 HB2 -0.02 0.03 0.08 -0.04 3.95 4.00 2ah5A1 SER 65 HB3 -0.03 0.04 0.04 -0.04 3.93 3.94 2ah5A1 GLU 66 H -0.07 0.15 -0.28 -0.55 8.60 7.86 2ah5A1 GLU 66 HA -0.05 0.03 0.45 -0.75 4.29 3.97 2ah5A1 GLU 66 HB2 -0.05 -0.01 0.09 -0.04 2.09 2.09 2ah5A1 GLU 66 HB3 -0.08 0.14 0.11 -0.04 1.99 2.12 2ah5A1 GLU 66 HG2 -0.08 -0.00 -0.24 -0.04 2.34 1.98 2ah5A1 GLU 66 HG3 -0.04 -0.03 0.01 -0.04 2.34 2.24 2ah5A1 ALA 67 H -0.22 0.61 -0.10 -0.55 8.40 8.15 2ah5A1 ALA 67 HA -0.37 0.03 0.46 -0.75 4.34 3.71 2ah5A1 ALA 67 HB3 -1.12 0.03 0.06 -0.04 1.41 0.34 2ah5A1 VAL 68 H -0.20 0.68 -0.06 -0.55 8.24 8.11 2ah5A1 VAL 68 HA 0.10 -0.01 0.42 -0.75 4.13 3.88 2ah5A1 VAL 68 HB -0.02 0.10 0.14 -0.04 2.12 2.30 2ah5A1 VAL 68 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 2ah5A1 VAL 68 HG23 0.07 0.03 -0.04 -0.04 0.95 0.97 2ah5A1 GLN 69 H -0.03 0.57 -0.12 -0.55 8.47 8.34 2ah5A1 GLN 69 HA 0.03 -0.02 0.48 -0.75 4.36 4.10 2ah5A1 GLN 69 HB2 -0.00 -0.01 0.13 -0.04 2.15 2.23 2ah5A1 GLN 69 HB3 -0.01 0.14 0.19 -0.04 2.02 2.30 2ah5A1 GLN 69 HG2 0.02 0.01 -0.22 -0.04 2.40 2.17 2ah5A1 GLN 69 HG3 0.02 -0.05 0.03 -0.04 2.39 2.35 2ah5A1 GLN 69 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2ah5A1 GLN 69 HE22 0.02 0.00 -0.05 -0.04 7.69 7.62 2ah5A1 ILE 70 H -0.02 0.62 -0.09 -0.55 8.25 8.21 2ah5A1 ILE 70 HA 0.10 0.01 0.38 -0.75 4.18 3.91 2ah5A1 ILE 70 HB -0.04 0.09 0.19 -0.04 1.89 2.09 2ah5A1 ILE 70 HG12 0.03 -0.04 0.01 -0.04 1.49 1.45 2ah5A1 ILE 70 HG13 -0.01 0.03 0.06 -0.04 1.21 1.25 2ah5A1 ILE 70 HG23 0.08 -0.00 -0.10 -0.04 0.93 0.86 2ah5A1 ILE 70 HD13 -0.08 -0.01 -0.09 -0.04 0.88 0.66 2ah5A1 TYR 71 H 0.14 0.70 0.00 -0.55 8.29 8.59 2ah5A1 TYR 71 HA 0.08 0.07 0.46 -0.75 4.56 4.41 2ah5A1 TYR 71 HB2 0.15 0.07 0.10 -0.04 3.06 3.34 2ah5A1 TYR 71 HB3 0.06 0.09 0.18 -0.04 2.98 3.26 2ah5A1 TYR 71 HD2 -0.32 0.05 -0.28 -0.04 7.15 6.55 2ah5A1 TYR 71 HE2 -1.08 0.02 -0.04 -0.04 6.85 5.71 2ah5A1 ARG 72 H 0.22 0.60 -0.18 -0.55 8.46 8.55 2ah5A1 ARG 72 HA 0.20 -0.06 0.49 -0.75 4.34 4.21 2ah5A1 ARG 72 HB2 0.09 0.17 0.15 -0.04 1.90 2.27 2ah5A1 ARG 72 HB3 0.10 -0.09 0.10 -0.04 1.80 1.87 2ah5A1 ARG 72 HG2 0.22 -0.09 0.04 -0.04 1.67 1.80 2ah5A1 ARG 72 HG3 0.12 0.33 0.10 -0.04 1.67 2.18 2ah5A1 ARG 72 HD2 0.05 0.02 0.00 -0.04 3.22 3.25 2ah5A1 ARG 72 HD3 0.07 -0.06 0.04 -0.04 3.22 3.23 2ah5A1 SER 73 H 0.09 0.49 -0.22 -0.55 8.46 8.28 2ah5A1 SER 73 HA 0.01 -0.02 0.47 -0.75 4.49 4.21 2ah5A1 SER 73 HB2 0.04 -0.07 0.09 -0.04 3.95 3.97 2ah5A1 SER 73 HB3 0.07 0.09 0.16 -0.04 3.93 4.21 2ah5A1 TYR 74 H 0.09 0.48 -0.09 -0.55 8.29 8.22 2ah5A1 TYR 74 HA -0.29 0.11 0.79 -0.75 4.56 4.42 2ah5A1 TYR 74 HB2 -0.45 0.03 0.11 -0.04 3.06 2.72 2ah5A1 TYR 74 HB3 -0.20 0.10 0.23 -0.04 2.98 3.07 2ah5A1 TYR 74 HD2 -0.49 0.02 -0.12 -0.04 7.15 6.52 2ah5A1 TYR 74 HE2 -0.10 0.01 -0.07 -0.04 6.85 6.66 2ah5A1 TYR 75 H 0.04 0.62 0.06 -0.55 8.29 8.46 2ah5A1 TYR 75 HA -0.08 -0.13 0.24 -0.75 4.56 3.85 2ah5A1 TYR 75 HB2 -0.42 0.13 0.12 -0.04 3.06 2.85 2ah5A1 TYR 75 HB3 -0.06 0.02 0.13 -0.04 2.98 3.03 2ah5A1 TYR 75 HD2 -0.09 0.07 -0.14 -0.04 7.15 6.94 2ah5A1 TYR 75 HE2 0.01 0.01 -0.26 -0.04 6.85 6.57 2ah5A1 LYS 76 H 0.02 0.71 0.04 -0.55 8.42 8.64 2ah5A1 LYS 76 HA -0.10 0.01 0.42 -0.75 4.32 3.90 2ah5A1 LYS 76 HB2 -0.02 0.11 0.11 -0.04 1.87 2.03 2ah5A1 LYS 76 HB3 -0.02 -0.01 0.01 -0.04 1.79 1.72 2ah5A1 LYS 76 HG2 0.09 0.02 0.12 -0.04 1.46 1.64 2ah5A1 LYS 76 HG3 0.03 -0.02 0.02 -0.04 1.46 1.46 2ah5A1 LYS 76 HD2 0.00 0.04 0.05 -0.04 1.69 1.74 2ah5A1 LYS 76 HD3 0.09 -0.07 0.00 -0.04 1.68 1.66 2ah5A1 LYS 76 HE2 0.03 -0.02 -0.00 -0.04 2.99 2.95 2ah5A1 LYS 76 HE3 0.01 0.05 -0.01 -0.04 2.99 3.00 2ah5A1 ALA 77 H -0.16 0.22 -0.33 -0.55 8.40 7.59 2ah5A1 ALA 77 HA -0.03 0.11 0.54 -0.75 4.34 4.21 2ah5A1 ALA 77 HB3 -0.13 0.02 0.08 -0.04 1.41 1.34 2ah5A1 LYS 78 H -0.38 0.27 -0.10 -0.55 8.42 7.66 2ah5A1 LYS 78 HA -0.08 0.20 0.96 -0.75 4.32 4.64 2ah5A1 LYS 78 HB2 -1.24 0.11 0.10 -0.04 1.87 0.79 2ah5A1 LYS 78 HB3 -0.68 -0.05 -0.08 -0.04 1.79 0.93 2ah5A1 LYS 78 HG2 -0.23 0.02 -0.04 -0.04 1.46 1.18 2ah5A1 LYS 78 HG3 -0.33 -0.01 -0.30 -0.04 1.46 0.78 2ah5A1 LYS 78 HD2 -0.20 -0.01 -0.03 -0.04 1.69 1.41 2ah5A1 LYS 78 HD3 -0.52 0.00 -0.02 -0.04 1.68 1.10 2ah5A1 LYS 78 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2ah5A1 LYS 78 HE3 -0.27 -0.01 -0.06 -0.04 2.99 2.60 2ah5A1 GLY 79 H -0.49 0.37 0.15 -0.55 8.43 7.92 2ah5A1 GLY 79 HA2 0.02 0.01 0.31 -0.51 4.01 3.84 2ah5A1 GLY 79 HA3 -0.23 0.05 0.28 -0.51 4.01 3.60 2ah5A1 ILE 80 H -0.84 0.58 -0.11 -0.55 8.25 7.33 2ah5A1 ILE 80 HA -0.64 -0.02 0.25 -0.75 4.18 3.01 2ah5A1 ILE 80 HB -0.63 0.03 0.03 -0.04 1.89 1.28 2ah5A1 ILE 80 HG12 -0.33 0.02 -0.12 -0.04 1.49 1.02 2ah5A1 ILE 80 HG13 -0.13 -0.08 -0.01 -0.04 1.21 0.95 2ah5A1 ILE 80 HG23 -1.10 0.02 -0.18 -0.04 0.93 -0.38 2ah5A1 ILE 80 HD13 -0.13 0.02 0.00 -0.04 0.88 0.73 2ah5A1 TYR 81 H -0.39 0.27 -0.46 -0.55 8.29 7.17 2ah5A1 TYR 81 HA -0.06 0.10 0.57 -0.75 4.56 4.41 2ah5A1 TYR 81 HB2 -0.11 0.12 -0.00 -0.04 3.06 3.03 2ah5A1 TYR 81 HB3 -0.07 -0.04 0.08 -0.04 2.98 2.92 2ah5A1 TYR 81 HD2 -0.11 0.04 -0.05 -0.04 7.15 6.99 2ah5A1 TYR 81 HE2 -0.09 0.07 -0.05 -0.04 6.85 6.74 2ah5A1 GLU 82 H -0.05 0.32 -0.35 -0.55 8.60 7.97 2ah5A1 GLU 82 HA 0.05 0.12 0.71 -0.75 4.29 4.41 2ah5A1 GLU 82 HB2 0.06 -0.00 0.22 -0.04 2.09 2.33 2ah5A1 GLU 82 HB3 0.07 -0.12 0.01 -0.04 1.99 1.91 2ah5A1 GLU 82 HG2 0.05 0.02 -0.08 -0.04 2.34 2.29 2ah5A1 GLU 82 HG3 0.03 0.24 -0.05 -0.04 2.34 2.51 2ah5A1 ALA 83 H 0.04 0.61 -0.15 -0.55 8.40 8.36 2ah5A1 ALA 83 HA 0.04 0.14 0.72 -0.75 4.34 4.48 2ah5A1 ALA 83 HB3 0.04 0.02 -0.27 -0.04 1.41 1.17 2ah5A1 GLN 84 H -0.03 0.41 0.14 -0.55 8.47 8.44 2ah5A1 GLN 84 HA -0.00 0.12 0.63 -0.75 4.36 4.36 2ah5A1 GLN 84 HB2 -0.02 0.02 0.11 -0.04 2.15 2.23 2ah5A1 GLN 84 HB3 -0.01 0.08 -0.20 -0.04 2.02 1.85 2ah5A1 GLN 84 HG2 -0.07 -0.03 0.04 -0.04 2.40 2.30 2ah5A1 GLN 84 HG3 -0.10 0.15 -0.17 -0.04 2.39 2.23 2ah5A1 GLN 84 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.89 2ah5A1 GLN 84 HE22 -0.03 0.07 -0.02 -0.04 7.69 7.68 2ah5A1 LEU 85 H -0.01 0.16 0.15 -0.55 8.37 8.13 2ah5A1 LEU 85 HA -0.01 0.09 0.68 -0.75 4.35 4.36 2ah5A1 LEU 85 HB2 0.01 -0.06 0.11 -0.04 1.64 1.66 2ah5A1 LEU 85 HB3 0.02 0.06 0.14 -0.04 1.64 1.83 2ah5A1 LEU 85 HG 0.04 -0.01 0.11 -0.04 1.64 1.74 2ah5A1 LEU 85 HD13 0.05 0.01 0.02 -0.04 0.93 0.97 2ah5A1 LEU 85 HD23 0.06 -0.01 -0.06 -0.04 0.89 0.84 2ah5A1 PHE 86 H 0.12 0.40 0.24 -0.55 8.34 8.55 2ah5A1 PHE 86 HA -0.01 0.10 0.64 -0.75 4.62 4.59 2ah5A1 PHE 86 HB2 -0.10 0.06 0.05 -0.04 3.15 3.12 2ah5A1 PHE 86 HB3 -0.33 0.06 0.06 -0.04 3.06 2.81 2ah5A1 PHE 86 HD2 0.16 0.06 -0.34 -0.04 7.28 7.11 2ah5A1 PHE 86 HE2 0.05 -0.08 -0.27 -0.04 7.38 7.03 2ah5A1 PHE 86 HZ -0.16 -0.08 -0.01 -0.04 7.32 7.02 2ah5A1 PRO 87 HA -0.03 0.03 0.47 -0.51 4.44 4.40 2ah5A1 PRO 87 HB2 -0.09 0.00 0.07 -0.04 2.28 2.22 2ah5A1 PRO 87 HB3 -0.03 0.02 0.13 -0.04 2.02 2.10 2ah5A1 PRO 87 HG2 0.03 0.05 0.12 -0.04 2.03 2.20 2ah5A1 PRO 87 HG3 0.03 0.07 0.12 -0.04 2.03 2.21 2ah5A1 PRO 87 HD2 0.11 0.11 0.23 -0.04 3.68 4.09 2ah5A1 PRO 87 HD3 0.16 0.16 0.26 -0.04 3.65 4.18 2ah5A1 GLN 88 H -0.06 0.15 0.19 -0.55 8.47 8.20 2ah5A1 GLN 88 HA -0.08 -0.02 0.37 -0.75 4.36 3.87 2ah5A1 GLN 88 HB2 -0.23 0.22 -0.04 -0.04 2.15 2.06 2ah5A1 GLN 88 HB3 -0.13 -0.05 0.14 -0.04 2.02 1.93 2ah5A1 GLN 88 HG2 -0.10 -0.02 -0.25 -0.04 2.40 1.98 2ah5A1 GLN 88 HG3 -0.11 -0.01 -0.05 -0.04 2.39 2.19 2ah5A1 GLN 88 HE21 -0.04 0.05 0.03 -0.04 6.97 6.97 2ah5A1 GLN 88 HE22 -0.06 -0.02 0.03 -0.04 7.69 7.60 2ah5A1 ILE 89 H -0.09 0.43 -0.48 -0.55 8.25 7.56 2ah5A1 ILE 89 HA -0.13 0.08 0.46 -0.75 4.18 3.83 2ah5A1 ILE 89 HB -0.01 0.04 0.13 -0.04 1.89 2.01 2ah5A1 ILE 89 HG12 -0.07 0.09 -0.10 -0.04 1.49 1.37 2ah5A1 ILE 89 HG13 0.17 0.12 0.19 -0.04 1.21 1.65 2ah5A1 ILE 89 HG23 -0.03 0.01 -0.07 -0.04 0.93 0.80 2ah5A1 ILE 89 HD13 -0.00 -0.01 0.00 -0.04 0.88 0.83 2ah5A1 ILE 90 H -0.06 0.11 -0.06 -0.55 8.25 7.69 2ah5A1 ILE 90 HA -0.23 0.13 0.45 -0.75 4.18 3.78 2ah5A1 ILE 90 HB -0.02 -0.10 0.07 -0.04 1.89 1.81 2ah5A1 ILE 90 HG12 0.01 -0.07 0.07 -0.04 1.49 1.46 2ah5A1 ILE 90 HG13 0.06 0.04 0.04 -0.04 1.21 1.30 2ah5A1 ILE 90 HG23 0.09 0.03 -0.10 -0.04 0.93 0.91 2ah5A1 ILE 90 HD13 0.17 0.04 0.00 -0.04 0.88 1.05 2ah5A1 ASP 91 H -0.08 -0.01 -0.30 -0.55 8.40 7.46 2ah5A1 ASP 91 HA -0.06 0.07 0.40 -0.75 4.63 4.28 2ah5A1 ASP 91 HB2 -0.05 -0.09 0.10 -0.04 2.71 2.63 2ah5A1 ASP 91 HB3 -0.07 0.11 0.07 -0.04 2.70 2.77 2ah5A1 LEU 92 H -0.12 0.48 -0.16 -0.55 8.37 8.01 2ah5A1 LEU 92 HA -0.05 0.00 0.33 -0.75 4.35 3.87 2ah5A1 LEU 92 HB2 -0.06 -0.08 0.01 -0.04 1.64 1.47 2ah5A1 LEU 92 HB3 -0.09 0.11 0.17 -0.04 1.64 1.79 2ah5A1 LEU 92 HG 0.07 0.03 -0.32 -0.04 1.64 1.38 2ah5A1 LEU 92 HD13 0.09 0.02 -0.04 -0.04 0.93 0.96 2ah5A1 LEU 92 HD23 0.23 -0.02 -0.05 -0.04 0.89 1.01 2ah5A1 LEU 93 H -0.32 0.61 -0.06 -0.55 8.37 8.05 2ah5A1 LEU 93 HA -0.38 0.04 0.49 -0.75 4.35 3.74 2ah5A1 LEU 93 HB2 -1.17 0.04 0.15 -0.04 1.64 0.62 2ah5A1 LEU 93 HB3 -1.45 0.02 -0.00 -0.04 1.64 0.17 2ah5A1 LEU 93 HG -0.39 0.09 0.05 -0.04 1.64 1.35 2ah5A1 LEU 93 HD13 -0.35 -0.02 -0.06 -0.04 0.93 0.45 2ah5A1 LEU 93 HD23 -0.71 -0.00 -0.06 -0.04 0.89 0.08 2ah5A1 GLU 94 H -0.41 0.63 -0.04 -0.55 8.60 8.24 2ah5A1 GLU 94 HA 0.06 0.03 0.40 -0.75 4.29 4.03 2ah5A1 GLU 94 HB2 -0.05 0.05 0.14 -0.04 2.09 2.18 2ah5A1 GLU 94 HB3 0.04 -0.03 0.00 -0.04 1.99 1.96 2ah5A1 GLU 94 HG2 0.29 -0.01 0.02 -0.04 2.34 2.60 2ah5A1 GLU 94 HG3 -0.02 0.15 0.06 -0.04 2.34 2.49 2ah5A1 GLU 95 H -0.09 0.46 -0.24 -0.55 8.60 8.17 2ah5A1 GLU 95 HA -0.01 0.02 0.35 -0.75 4.29 3.89 2ah5A1 GLU 95 HB2 -0.03 0.07 0.17 -0.04 2.09 2.26 2ah5A1 GLU 95 HB3 0.00 -0.02 -0.02 -0.04 1.99 1.92 2ah5A1 GLU 95 HG2 -0.03 0.10 0.06 -0.04 2.34 2.43 2ah5A1 GLU 95 HG3 -0.01 -0.10 -0.02 -0.04 2.34 2.18 2ah5A1 LEU 96 H -0.07 0.59 0.02 -0.55 8.37 8.36 2ah5A1 LEU 96 HA 0.03 0.05 0.37 -0.75 4.35 4.05 2ah5A1 LEU 96 HB2 -0.03 0.04 0.13 -0.04 1.64 1.73 2ah5A1 LEU 96 HB3 -0.05 0.01 -0.05 -0.04 1.64 1.51 2ah5A1 LEU 96 HG -0.04 -0.01 0.00 -0.04 1.64 1.55 2ah5A1 LEU 96 HD13 0.05 -0.03 -0.12 -0.04 0.93 0.79 2ah5A1 LEU 96 HD23 -0.48 0.01 -0.09 -0.04 0.89 0.29 2ah5A1 SER 97 H -0.09 0.66 -0.05 -0.55 8.46 8.43 2ah5A1 SER 97 HA -0.01 0.24 0.42 -0.75 4.49 4.38 2ah5A1 SER 97 HB2 0.00 -0.01 0.16 -0.04 3.95 4.06 2ah5A1 SER 97 HB3 -0.09 -0.04 0.18 -0.04 3.93 3.93 2ah5A1 SER 98 H -0.00 0.33 -0.44 -0.55 8.46 7.80 2ah5A1 SER 98 HA -0.01 0.05 0.62 -0.75 4.49 4.39 2ah5A1 SER 98 HB2 -0.01 -0.12 0.14 -0.04 3.95 3.93 2ah5A1 SER 98 HB3 0.01 -0.00 0.12 -0.04 3.93 4.02 2ah5A1 SER 99 H -0.01 0.50 -0.22 -0.55 8.46 8.19 2ah5A1 SER 99 HA -0.16 0.12 0.95 -0.75 4.49 4.65 2ah5A1 SER 99 HB2 -0.12 0.05 0.04 -0.04 3.95 3.88 2ah5A1 SER 99 HB3 -0.43 -0.04 0.09 -0.04 3.93 3.51 2ah5A1 TYR 100 H 0.04 0.35 0.15 -0.55 8.29 8.28 2ah5A1 TYR 100 HA -0.01 0.23 0.86 -0.75 4.56 4.89 2ah5A1 TYR 100 HB2 -0.09 -0.09 -0.16 -0.04 3.06 2.67 2ah5A1 TYR 100 HB3 -0.03 0.08 -0.13 -0.04 2.98 2.86 2ah5A1 TYR 100 HD2 -0.09 0.05 -0.24 -0.04 7.15 6.83 2ah5A1 TYR 100 HE2 -0.03 0.10 -0.13 -0.04 6.85 6.75 2ah5A1 PRO 101 HA -0.07 0.07 0.70 -0.51 4.44 4.63 2ah5A1 PRO 101 HB2 -0.04 -0.03 0.04 -0.04 2.28 2.21 2ah5A1 PRO 101 HB3 0.04 0.01 0.15 -0.04 2.02 2.18 2ah5A1 PRO 101 HG2 0.26 -0.09 0.27 -0.04 2.03 2.43 2ah5A1 PRO 101 HG3 0.17 0.03 0.15 -0.04 2.03 2.34 2ah5A1 PRO 101 HD2 0.22 0.33 0.39 -0.04 3.68 4.58 2ah5A1 PRO 101 HD3 0.08 0.09 0.21 -0.04 3.65 3.99 2ah5A1 LEU 102 H -0.21 0.20 0.31 -0.55 8.37 8.12 2ah5A1 LEU 102 HA 0.15 0.28 1.00 -0.75 4.35 5.02 2ah5A1 LEU 102 HB2 -0.23 0.06 0.12 -0.04 1.64 1.56 2ah5A1 LEU 102 HB3 0.28 -0.06 0.02 -0.04 1.64 1.84 2ah5A1 LEU 102 HG -0.08 0.17 0.02 -0.04 1.64 1.70 2ah5A1 LEU 102 HD13 -0.33 -0.01 0.00 -0.04 0.93 0.56 2ah5A1 LEU 102 HD23 0.16 -0.01 -0.32 -0.04 0.89 0.68 2ah5A1 TYR 103 H 0.55 0.68 0.43 -0.55 8.29 9.39 2ah5A1 TYR 103 HA 0.26 0.21 1.00 -0.75 4.56 5.28 2ah5A1 TYR 103 HB2 0.13 -0.06 -0.05 -0.04 3.06 3.04 2ah5A1 TYR 103 HB3 0.08 0.03 -0.08 -0.04 2.98 2.97 2ah5A1 TYR 103 HD2 0.32 -0.01 -0.19 -0.04 7.15 7.22 2ah5A1 TYR 103 HE2 -0.26 0.09 -0.24 -0.04 6.85 6.39 2ah5A1 ILE 104 H -0.06 0.48 0.37 -0.55 8.25 8.50 2ah5A1 ILE 104 HA 0.02 0.24 1.12 -0.75 4.18 4.81 2ah5A1 ILE 104 HB -0.31 -0.06 0.19 -0.04 1.89 1.67 2ah5A1 ILE 104 HG12 -0.45 0.03 -0.06 -0.04 1.49 0.96 2ah5A1 ILE 104 HG13 -1.47 0.01 -0.14 -0.04 1.21 -0.43 2ah5A1 ILE 104 HG23 -0.10 0.01 -0.21 -0.04 0.93 0.58 2ah5A1 ILE 104 HD13 -0.79 -0.00 -0.09 -0.04 0.88 -0.04 2ah5A1 THR 105 H 0.06 0.71 0.16 -0.55 8.28 8.66 2ah5A1 THR 105 HA 0.01 0.27 0.82 -0.75 4.39 4.73 2ah5A1 THR 105 HB -0.05 -0.04 -0.13 -0.04 4.32 4.06 2ah5A1 THR 105 HG23 -0.44 0.01 -0.28 -0.04 1.22 0.48 2ah5A1 THR 106 H 0.02 0.77 0.29 -0.55 8.28 8.81 2ah5A1 THR 106 HA 0.02 0.11 1.01 -0.75 4.39 4.78 2ah5A1 THR 106 HB 0.01 0.00 -0.04 -0.04 4.32 4.25 2ah5A1 THR 106 HG23 -0.01 0.10 -0.09 -0.04 1.22 1.18 2ah5A1 THR 107 H -0.00 0.10 0.16 -0.55 8.28 7.99 2ah5A1 THR 107 HA -0.01 0.28 0.88 -0.75 4.39 4.78 2ah5A1 THR 107 HB -0.04 0.06 0.16 -0.04 4.32 4.46 2ah5A1 THR 107 HG23 0.01 -0.00 -0.18 -0.04 1.22 1.00 2ah5A1 LYS 108 H -0.00 -0.06 0.00 -0.55 8.42 7.80 2ah5A1 LYS 108 HA -0.02 0.09 0.64 -0.75 4.32 4.27 2ah5A1 LYS 108 HB2 0.01 -0.07 0.11 -0.04 1.87 1.88 2ah5A1 LYS 108 HB3 0.01 0.04 -0.10 -0.04 1.79 1.70 2ah5A1 LYS 108 HG2 0.03 0.00 -0.08 -0.04 1.46 1.37 2ah5A1 LYS 108 HG3 -0.00 -0.00 0.07 -0.04 1.46 1.49 2ah5A1 LYS 108 HD2 0.05 -0.10 -0.01 -0.04 1.69 1.59 2ah5A1 LYS 108 HD3 0.08 0.10 -0.18 -0.04 1.68 1.64 2ah5A1 LYS 108 HE2 0.25 0.06 -0.08 -0.04 2.99 3.17 2ah5A1 LYS 108 HE3 -0.06 -0.01 -0.02 -0.04 2.99 2.86 2ah5A1 ASP 109 H -0.00 0.11 0.12 -0.55 8.40 8.08 2ah5A1 ASP 109 HA -0.01 0.27 0.49 -0.75 4.63 4.63 2ah5A1 ASP 109 HB2 0.01 -0.10 0.11 -0.04 2.71 2.69 2ah5A1 ASP 109 HB3 0.00 -0.04 0.04 -0.04 2.70 2.67 2ah5A1 THR 110 H 0.00 0.44 0.13 -0.55 8.28 8.31 2ah5A1 THR 110 HA -0.01 0.07 0.23 -0.75 4.39 3.92 2ah5A1 THR 110 HB 0.00 -0.03 0.12 -0.04 4.32 4.37 2ah5A1 THR 110 HG23 -0.04 0.05 -0.10 -0.04 1.22 1.09 2ah5A1 SER 111 H 0.00 0.09 -0.17 -0.55 8.46 7.83 2ah5A1 SER 111 HA 0.01 0.12 0.30 -0.75 4.49 4.16 2ah5A1 SER 111 HB2 0.01 0.07 0.01 -0.04 3.95 4.00 2ah5A1 SER 111 HB3 0.01 0.04 0.06 -0.04 3.93 4.00 2ah5A1 THR 112 H 0.02 0.03 -0.28 -0.55 8.28 7.50 2ah5A1 THR 112 HA 0.02 0.09 0.43 -0.75 4.39 4.17 2ah5A1 THR 112 HB 0.04 0.02 0.04 -0.04 4.32 4.37 2ah5A1 THR 112 HG23 0.12 0.01 -0.07 -0.04 1.22 1.24 2ah5A1 ALA 113 H 0.01 0.52 -0.25 -0.55 8.40 8.13 2ah5A1 ALA 113 HA 0.01 -0.01 0.33 -0.75 4.34 3.91 2ah5A1 ALA 113 HB3 -0.03 -0.01 -0.10 -0.04 1.41 1.23 2ah5A1 GLN 114 H 0.01 0.55 -0.15 -0.55 8.47 8.32 2ah5A1 GLN 114 HA 0.07 0.02 0.42 -0.75 4.36 4.12 2ah5A1 GLN 114 HB2 0.04 0.03 0.11 -0.04 2.15 2.29 2ah5A1 GLN 114 HB3 0.12 -0.04 -0.01 -0.04 2.02 2.06 2ah5A1 GLN 114 HG2 -0.03 -0.07 -0.05 -0.04 2.40 2.21 2ah5A1 GLN 114 HG3 -0.01 0.06 -0.07 -0.04 2.39 2.33 2ah5A1 GLN 114 HE21 -0.02 -0.00 0.01 -0.04 6.97 6.91 2ah5A1 GLN 114 HE22 -0.09 0.09 0.02 -0.04 7.69 7.68 2ah5A1 ASP 115 H 0.03 0.53 -0.21 -0.55 8.40 8.20 2ah5A1 ASP 115 HA 0.03 -0.02 0.22 -0.75 4.63 4.10 2ah5A1 ASP 115 HB2 -0.01 0.13 0.18 -0.04 2.71 2.97 2ah5A1 ASP 115 HB3 -0.02 -0.05 0.10 -0.04 2.70 2.70 2ah5A1 ALA 117 HA 0.09 -0.13 0.24 -0.75 4.34 3.78 2ah5A1 ALA 117 HB3 0.05 0.00 -0.04 -0.04 1.41 1.38 2ah5A1 LYS 118 H 0.14 0.73 -0.59 -0.55 8.42 8.14 2ah5A1 LYS 118 HA 0.12 -0.13 0.56 -0.75 4.32 4.13 2ah5A1 LYS 118 HB2 0.01 0.11 0.10 -0.04 1.87 2.05 2ah5A1 LYS 118 HB3 0.03 0.08 0.10 -0.04 1.79 1.96 2ah5A1 LYS 118 HG2 -0.02 0.00 -0.04 -0.04 1.46 1.35 2ah5A1 LYS 118 HG3 -0.04 -0.08 0.08 -0.04 1.46 1.38 2ah5A1 LYS 118 HD2 -0.25 0.04 -0.03 -0.04 1.69 1.41 2ah5A1 LYS 118 HD3 -0.10 -0.01 -0.03 -0.04 1.68 1.50 2ah5A1 LYS 118 HE2 -0.11 -0.01 -0.02 -0.04 2.99 2.81 2ah5A1 LYS 118 HE3 -0.22 -0.04 -0.02 -0.04 2.99 2.67 2ah5A1 ASN 119 H 0.06 0.79 0.31 -0.55 8.53 9.14 2ah5A1 ASN 119 HA 0.07 0.03 0.44 -0.75 4.76 4.54 2ah5A1 ASN 119 HB2 0.05 0.01 -0.04 -0.04 2.88 2.86 2ah5A1 ASN 119 HB3 0.11 -0.02 -0.03 -0.04 2.79 2.82 2ah5A1 ASN 119 HD21 0.07 -0.06 -0.02 -0.04 7.03 6.98 2ah5A1 ASN 119 HD22 -0.05 0.02 -0.11 -0.04 7.74 7.56 2ah5A1 LEU 120 H 0.08 0.16 -0.39 -0.55 8.37 7.68 2ah5A1 LEU 120 HA 0.06 0.18 0.59 -0.75 4.35 4.43 2ah5A1 LEU 120 HB2 0.08 0.03 -0.03 -0.04 1.64 1.67 2ah5A1 LEU 120 HB3 0.07 -0.08 0.07 -0.04 1.64 1.66 2ah5A1 LEU 120 HG 0.05 0.01 -0.25 -0.04 1.64 1.41 2ah5A1 LEU 120 HD13 0.04 -0.02 -0.26 -0.04 0.93 0.65 2ah5A1 LEU 120 HD23 0.04 0.03 -0.15 -0.04 0.89 0.77 2ah5A1 GLU 121 H 0.10 0.34 -0.46 -0.55 8.60 8.03 2ah5A1 GLU 121 HA 0.13 0.06 0.32 -0.75 4.29 4.04 2ah5A1 GLU 121 HB2 0.11 0.13 0.05 -0.04 2.09 2.34 2ah5A1 GLU 121 HB3 0.10 -0.06 0.17 -0.04 1.99 2.16 2ah5A1 GLU 121 HG2 0.05 0.10 -0.03 -0.04 2.34 2.42 2ah5A1 GLU 121 HG3 0.06 0.03 -0.40 -0.04 2.34 1.99 2ah5A1 ILE 122 H 0.18 0.50 -0.01 -0.55 8.25 8.37 2ah5A1 ILE 122 HA 0.24 0.22 0.88 -0.75 4.18 4.76 2ah5A1 ILE 122 HB 0.32 -0.02 0.04 -0.04 1.89 2.19 2ah5A1 ILE 122 HG12 0.15 -0.00 -0.09 -0.04 1.49 1.50 2ah5A1 ILE 122 HG13 0.23 0.04 -0.18 -0.04 1.21 1.25 2ah5A1 ILE 122 HG23 0.16 0.04 -0.19 -0.04 0.93 0.90 2ah5A1 ILE 122 HD13 0.15 -0.01 -0.10 -0.04 0.88 0.88 2ah5A1 HIS 123 H 0.27 0.25 -0.14 -0.55 8.41 8.24 2ah5A1 HIS 123 HA 0.22 0.06 0.17 -0.75 4.63 4.33 2ah5A1 HIS 123 HB2 0.08 -0.01 -0.34 -0.04 3.26 2.95 2ah5A1 HIS 123 HB3 0.09 -0.01 -0.04 -0.04 3.20 3.20 2ah5A1 HIS 123 HD2 0.02 0.14 0.02 -0.04 6.97 7.11 2ah5A1 HIS 123 HE1 0.03 0.03 -0.08 -0.04 7.75 7.69 2ah5A1 HIS 124 H 0.19 0.06 -0.45 -0.55 8.41 7.66 2ah5A1 HIS 124 HA 0.07 0.14 0.19 -0.75 4.63 4.27 2ah5A1 HIS 124 HB2 -0.14 0.03 0.05 -0.04 3.26 3.17 2ah5A1 HIS 124 HB3 -0.07 -0.06 -0.00 -0.04 3.20 3.02 2ah5A1 HIS 124 HD2 -0.52 0.02 -0.17 -0.04 6.97 6.26 2ah5A1 HIS 124 HE1 -0.22 0.18 0.08 -0.04 7.75 7.75 2ah5A1 PHE 125 H -0.41 0.38 -0.45 -0.55 8.34 7.31 2ah5A1 PHE 125 HA -0.37 0.12 0.55 -0.75 4.62 4.17 2ah5A1 PHE 125 HB2 -1.00 0.10 -0.00 -0.04 3.15 2.20 2ah5A1 PHE 125 HB3 -0.78 -0.01 0.04 -0.04 3.06 2.26 2ah5A1 PHE 125 HD2 -0.34 0.08 0.00 -0.04 7.28 6.98 2ah5A1 PHE 125 HE2 -0.11 0.02 -0.01 -0.04 7.38 7.24 2ah5A1 PHE 125 HZ -0.01 -0.05 -0.00 -0.04 7.32 7.22 2ah5A1 PHE 126 H -0.04 0.40 -0.24 -0.55 8.34 7.91 2ah5A1 PHE 126 HA -0.13 0.22 1.00 -0.75 4.62 4.95 2ah5A1 PHE 126 HB2 -0.19 0.04 0.01 -0.04 3.15 2.96 2ah5A1 PHE 126 HB3 -0.12 0.00 0.04 -0.04 3.06 2.95 2ah5A1 PHE 126 HD2 -0.06 0.05 -0.36 -0.04 7.28 6.87 2ah5A1 PHE 126 HE2 -0.18 -0.02 -0.19 -0.04 7.38 6.95 2ah5A1 PHE 126 HZ -0.42 -0.06 -0.11 -0.04 7.32 6.69 2ah5A1 ASP 127 H -0.26 0.75 0.41 -0.55 8.40 8.75 2ah5A1 ASP 127 HA 0.01 0.15 0.79 -0.75 4.63 4.82 2ah5A1 ASP 127 HB2 -0.58 0.04 0.10 -0.04 2.71 2.23 2ah5A1 ASP 127 HB3 0.05 -0.03 0.14 -0.04 2.70 2.82 2ah5A1 GLY 128 H 0.08 0.23 0.03 -0.55 8.43 8.22 2ah5A1 GLY 128 HA2 0.02 0.06 0.39 -0.51 4.01 3.96 2ah5A1 GLY 128 HA3 0.41 0.08 0.31 -0.51 4.01 4.29 2ah5A1 ILE 129 H -0.41 0.27 0.10 -0.55 8.25 7.66 2ah5A1 ILE 129 HA -0.18 0.10 0.89 -0.75 4.18 4.23 2ah5A1 ILE 129 HB -0.20 -0.01 0.07 -0.04 1.89 1.70 2ah5A1 ILE 129 HG12 -0.37 0.01 -0.05 -0.04 1.49 1.04 2ah5A1 ILE 129 HG13 -0.27 -0.01 -0.40 -0.04 1.21 0.49 2ah5A1 ILE 129 HG23 -0.15 -0.01 -0.28 -0.04 0.93 0.45 2ah5A1 ILE 129 HD13 -0.36 0.02 -0.09 -0.04 0.88 0.41 2ah5A1 TYR 130 H -0.01 0.72 0.19 -0.55 8.29 8.64 2ah5A1 TYR 130 HA -0.02 0.06 0.84 -0.75 4.56 4.69 2ah5A1 TYR 130 HB2 -0.10 0.06 0.19 -0.04 3.06 3.16 2ah5A1 TYR 130 HB3 -0.06 0.02 0.03 -0.04 2.98 2.93 2ah5A1 TYR 130 HD2 -0.04 0.05 -0.11 -0.04 7.15 7.01 2ah5A1 TYR 130 HE2 0.10 0.03 -0.11 -0.04 6.85 6.83 2ah5A1 GLY 131 H 0.04 0.09 0.14 -0.55 8.43 8.15 2ah5A1 GLY 131 HA2 0.02 0.34 0.81 -0.51 4.01 4.67 2ah5A1 GLY 131 HA3 0.00 -0.01 0.17 -0.51 4.01 3.67 2ah5A1 SER 132 H -0.01 0.42 -0.09 -0.55 8.46 8.24 2ah5A1 SER 132 HA -0.01 0.37 0.50 -0.75 4.49 4.59 2ah5A1 SER 132 HB2 -0.05 0.02 0.11 -0.04 3.95 3.99 2ah5A1 SER 132 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2ah5A1 SER 133 H -0.03 0.56 0.12 -0.55 8.46 8.56 2ah5A1 SER 133 HA -0.01 0.08 0.57 -0.75 4.49 4.38 2ah5A1 SER 133 HB2 0.01 0.02 0.13 -0.04 3.95 4.06 2ah5A1 SER 133 HB3 0.01 0.12 -0.34 -0.04 3.93 3.68 2ah5A1 PRO 134 HA -0.03 0.13 0.59 -0.51 4.44 4.62 2ah5A1 PRO 134 HB2 -0.01 0.04 0.03 -0.04 2.28 2.31 2ah5A1 PRO 134 HB3 -0.01 0.06 0.09 -0.04 2.02 2.11 2ah5A1 PRO 134 HG2 -0.00 0.07 0.08 -0.04 2.03 2.14 2ah5A1 PRO 134 HG3 -0.01 0.05 0.07 -0.04 2.03 2.09 2ah5A1 PRO 134 HD2 -0.00 0.10 0.21 -0.04 3.68 3.95 2ah5A1 PRO 134 HD3 -0.01 0.12 0.19 -0.04 3.65 3.91 2ah5A1 GLU 135 H -0.00 0.10 -0.10 -0.55 8.60 8.06 2ah5A1 GLU 135 HA -0.01 0.10 0.45 -0.75 4.29 4.08 2ah5A1 GLU 135 HB2 0.00 -0.04 0.08 -0.04 2.09 2.10 2ah5A1 GLU 135 HB3 0.01 0.02 -0.07 -0.04 1.99 1.92 2ah5A1 GLU 135 HG2 -0.00 0.03 0.01 -0.04 2.34 2.34 2ah5A1 GLU 135 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.33 2ah5A1 ALA 136 H -0.01 0.02 -0.72 -0.55 8.40 7.14 2ah5A1 ALA 136 HA -0.00 0.14 0.72 -0.75 4.34 4.44 2ah5A1 ALA 136 HB3 0.01 0.04 -0.29 -0.04 1.41 1.13 2ah5A1 PRO 137 HA -0.15 0.08 0.62 -0.51 4.44 4.47 2ah5A1 PRO 137 HB2 -0.74 -0.03 -0.00 -0.04 2.28 1.47 2ah5A1 PRO 137 HB3 -0.23 0.02 0.11 -0.04 2.02 1.87 2ah5A1 PRO 137 HG2 -0.14 0.00 0.07 -0.04 2.03 1.92 2ah5A1 PRO 137 HG3 -0.10 0.12 0.07 -0.04 2.03 2.08 2ah5A1 PRO 137 HD2 -0.04 0.00 0.15 -0.04 3.68 3.75 2ah5A1 PRO 137 HD3 -0.04 0.30 -0.17 -0.04 3.65 3.70 2ah5A1 HIS 138 H -0.05 0.10 -0.05 -0.55 8.41 7.86 2ah5A1 HIS 138 HA -0.01 0.30 0.97 -0.75 4.63 5.13 2ah5A1 HIS 138 HB2 0.03 -0.05 -0.01 -0.04 3.26 3.20 2ah5A1 HIS 138 HB3 0.03 -0.07 0.12 -0.04 3.20 3.24 2ah5A1 HIS 138 HD2 -0.02 0.04 -0.01 -0.04 6.97 6.93 2ah5A1 HIS 138 HE1 0.01 0.04 -0.03 -0.04 7.75 7.73 2ah5A1 LYS 139 H 0.14 0.19 0.09 -0.55 8.42 8.28 2ah5A1 LYS 139 HA 0.04 0.09 0.12 -0.75 4.32 3.82 2ah5A1 LYS 139 HB2 0.08 -0.03 0.01 -0.04 1.87 1.88 2ah5A1 LYS 139 HB3 0.07 0.06 0.06 -0.04 1.79 1.95 2ah5A1 LYS 139 HG2 0.05 0.01 -0.25 -0.04 1.46 1.23 2ah5A1 LYS 139 HG3 0.03 0.03 -0.20 -0.04 1.46 1.28 2ah5A1 LYS 139 HD2 0.03 0.08 -0.15 -0.04 1.69 1.62 2ah5A1 LYS 139 HD3 0.03 -0.05 -0.16 -0.04 1.68 1.45 2ah5A1 LYS 139 HE2 0.04 -0.00 -0.02 -0.04 2.99 2.97 2ah5A1 LYS 139 HE3 0.03 0.02 -0.09 -0.04 2.99 2.91 2ah5A1 ALA 140 H 0.07 0.09 -0.14 -0.55 8.40 7.87 2ah5A1 ALA 140 HA -0.06 0.16 0.38 -0.75 4.34 4.07 2ah5A1 ALA 140 HB3 0.02 0.03 0.01 -0.04 1.41 1.43 2ah5A1 ASP 141 H 0.09 0.05 -0.30 -0.55 8.40 7.70 2ah5A1 ASP 141 HA 0.18 0.10 0.42 -0.75 4.63 4.57 2ah5A1 ASP 141 HB2 0.03 -0.01 0.03 -0.04 2.71 2.73 2ah5A1 ASP 141 HB3 0.04 0.20 0.18 -0.04 2.70 3.09 2ah5A1 VAL 142 H 0.02 0.38 -0.28 -0.55 8.24 7.82 2ah5A1 VAL 142 HA -0.01 0.04 0.28 -0.75 4.13 3.69 2ah5A1 VAL 142 HB -0.00 0.05 -0.08 -0.04 2.12 2.05 2ah5A1 VAL 142 HG13 0.01 -0.02 -0.22 -0.04 0.97 0.70 2ah5A1 VAL 142 HG23 0.01 0.09 -0.30 -0.04 0.95 0.71 2ah5A1 ILE 143 H -0.04 0.51 -0.19 -0.55 8.25 7.99 2ah5A1 ILE 143 HA -0.14 -0.00 0.30 -0.75 4.18 3.59 2ah5A1 ILE 143 HB -0.09 0.10 0.10 -0.04 1.89 1.96 2ah5A1 ILE 143 HG12 0.11 -0.03 -0.11 -0.04 1.49 1.41 2ah5A1 ILE 143 HG13 0.00 0.09 -0.05 -0.04 1.21 1.21 2ah5A1 ILE 143 HG23 0.09 0.01 -0.21 -0.04 0.93 0.78 2ah5A1 ILE 143 HD13 0.03 -0.02 -0.27 -0.04 0.88 0.58 2ah5A1 HIS 144 H -0.09 0.66 -0.09 -0.55 8.41 8.35 2ah5A1 HIS 144 HA -0.00 0.03 0.43 -0.75 4.63 4.34 2ah5A1 HIS 144 HB2 -0.02 0.08 0.17 -0.04 3.26 3.45 2ah5A1 HIS 144 HB3 -0.02 -0.04 -0.05 -0.04 3.20 3.04 2ah5A1 HIS 144 HD2 0.01 -0.13 -0.20 -0.04 6.97 6.61 2ah5A1 HIS 144 HE1 0.01 0.07 0.03 -0.04 7.75 7.82 2ah5A1 GLN 145 H -0.01 0.59 -0.24 -0.55 8.47 8.26 2ah5A1 GLN 145 HA -0.08 -0.02 0.42 -0.75 4.36 3.93 2ah5A1 GLN 145 HB2 -0.04 0.02 0.04 -0.04 2.15 2.13 2ah5A1 GLN 145 HB3 -0.15 0.12 0.12 -0.04 2.02 2.08 2ah5A1 GLN 145 HG2 -0.29 0.02 -0.26 -0.04 2.40 1.83 2ah5A1 GLN 145 HG3 -0.07 -0.04 0.00 -0.04 2.39 2.24 2ah5A1 GLN 145 HE21 0.12 -0.07 -0.03 -0.04 6.97 6.96 2ah5A1 GLN 145 HE22 0.11 0.02 -0.04 -0.04 7.69 7.75 2ah5A1 ALA 146 H -0.37 0.60 -0.10 -0.55 8.40 7.99 2ah5A1 ALA 146 HA -0.96 -0.02 0.36 -0.75 4.34 2.98 2ah5A1 ALA 146 HB3 -0.81 0.01 -0.02 -0.04 1.41 0.55 2ah5A1 LEU 147 H -0.04 0.63 -0.18 -0.55 8.37 8.23 2ah5A1 LEU 147 HA 0.14 0.01 0.21 -0.75 4.35 3.96 2ah5A1 LEU 147 HB2 0.09 0.03 0.13 -0.04 1.64 1.85 2ah5A1 LEU 147 HB3 0.08 0.18 -0.08 -0.04 1.64 1.79 2ah5A1 LEU 147 HG 0.33 0.02 -0.10 -0.04 1.64 1.84 2ah5A1 LEU 147 HD13 0.07 -0.02 -0.14 -0.04 0.93 0.79 2ah5A1 LEU 147 HD23 0.07 -0.01 -0.32 -0.04 0.89 0.59 2ah5A1 GLN 148 H -0.01 0.64 -0.02 -0.55 8.47 8.53 2ah5A1 GLN 148 HA -0.00 0.02 0.42 -0.75 4.36 4.04 2ah5A1 GLN 148 HB2 -0.04 0.06 0.14 -0.04 2.15 2.27 2ah5A1 GLN 148 HB3 -0.03 -0.07 0.04 -0.04 2.02 1.92 2ah5A1 GLN 148 HG2 0.01 -0.04 0.03 -0.04 2.40 2.36 2ah5A1 GLN 148 HG3 0.04 0.12 0.12 -0.04 2.39 2.64 2ah5A1 GLN 148 HE21 -0.15 -0.06 -0.01 -0.04 6.97 6.71 2ah5A1 GLN 148 HE22 -0.00 0.02 0.02 -0.04 7.69 7.69 2ah5A1 THR 149 H -0.16 0.67 -0.11 -0.55 8.28 8.14 2ah5A1 THR 149 HA -0.13 -0.04 0.32 -0.75 4.39 3.79 2ah5A1 THR 149 HB -0.35 0.08 0.07 -0.04 4.32 4.07 2ah5A1 THR 149 HG23 -0.18 -0.03 0.01 -0.04 1.22 0.97 2ah5A1 HIS 150 H -0.08 0.37 -0.48 -0.55 8.41 7.68 2ah5A1 HIS 150 HA 0.03 0.12 0.72 -0.75 4.63 4.74 2ah5A1 HIS 150 HB2 -0.15 0.12 0.01 -0.04 3.26 3.20 2ah5A1 HIS 150 HB3 0.03 -0.03 0.08 -0.04 3.20 3.23 2ah5A1 HIS 150 HD2 -0.36 0.11 -0.03 -0.04 6.97 6.64 2ah5A1 HIS 150 HE1 0.28 0.04 -0.03 -0.04 7.75 7.99 2ah5A1 GLN 151 H -0.00 0.35 -0.33 -0.55 8.47 7.94 2ah5A1 GLN 151 HA 0.02 -0.01 0.31 -0.75 4.36 3.92 2ah5A1 GLN 151 HB2 0.06 0.15 -0.27 -0.04 2.15 2.05 2ah5A1 GLN 151 HB3 0.04 -0.10 0.17 -0.04 2.02 2.09 2ah5A1 GLN 151 HG2 0.01 -0.03 0.02 -0.04 2.40 2.36 2ah5A1 GLN 151 HG3 0.00 0.11 -0.15 -0.04 2.39 2.31 2ah5A1 GLN 151 HE21 0.02 -0.08 -0.01 -0.04 6.97 6.87 2ah5A1 GLN 151 HE22 0.01 0.08 -0.02 -0.04 7.69 7.72 2ah5A1 LEU 152 H 0.05 0.66 -0.04 -0.55 8.37 8.50 2ah5A1 LEU 152 HA 0.05 0.11 0.85 -0.75 4.35 4.61 2ah5A1 LEU 152 HB2 0.08 -0.09 -0.05 -0.04 1.64 1.54 2ah5A1 LEU 152 HB3 0.04 0.04 -0.16 -0.04 1.64 1.51 2ah5A1 LEU 152 HG 0.12 0.16 -0.37 -0.04 1.64 1.51 2ah5A1 LEU 152 HD13 0.11 -0.02 -0.20 -0.04 0.93 0.78 2ah5A1 LEU 152 HD23 0.09 0.01 -0.09 -0.04 0.89 0.86 2ah5A1 ALA 153 H 0.03 0.14 0.11 -0.55 8.40 8.14 2ah5A1 ALA 153 HA 0.03 0.17 0.67 -0.75 4.34 4.45 2ah5A1 ALA 153 HB3 0.02 0.00 0.10 -0.04 1.41 1.49 2ah5A1 PRO 154 HA -0.01 0.04 0.20 -0.51 4.44 4.16 2ah5A1 PRO 154 HB2 0.01 0.09 -0.02 -0.04 2.28 2.31 2ah5A1 PRO 154 HB3 0.00 0.13 -0.13 -0.04 2.02 1.98 2ah5A1 PRO 154 HG2 0.04 0.04 0.12 -0.04 2.03 2.18 2ah5A1 PRO 154 HG3 0.06 0.04 0.10 -0.04 2.03 2.18 2ah5A1 PRO 154 HD2 0.02 0.04 0.19 -0.04 3.68 3.90 2ah5A1 PRO 154 HD3 0.04 0.14 0.23 -0.04 3.65 4.02 2ah5A1 GLU 155 H 0.00 0.04 -0.30 -0.55 8.60 7.80 2ah5A1 GLU 155 HA -0.01 0.13 0.38 -0.75 4.29 4.04 2ah5A1 GLU 155 HB2 0.01 -0.04 0.01 -0.04 2.09 2.03 2ah5A1 GLU 155 HB3 0.00 0.01 0.05 -0.04 1.99 2.02 2ah5A1 GLU 155 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 2ah5A1 GLU 155 HG3 0.00 0.08 0.05 -0.04 2.34 2.43 2ah5A1 GLN 156 H -0.01 0.43 -0.46 -0.55 8.47 7.88 2ah5A1 GLN 156 HA 0.01 0.35 0.54 -0.75 4.36 4.50 2ah5A1 GLN 156 HB2 0.01 0.10 0.06 -0.04 2.15 2.28 2ah5A1 GLN 156 HB3 0.03 -0.12 0.22 -0.04 2.02 2.12 2ah5A1 GLN 156 HG2 0.03 0.18 0.07 -0.04 2.40 2.64 2ah5A1 GLN 156 HG3 0.02 -0.15 0.01 -0.04 2.39 2.23 2ah5A1 GLN 156 HE21 0.05 0.05 0.07 -0.04 6.97 7.10 2ah5A1 GLN 156 HE22 0.05 0.06 0.07 -0.04 7.69 7.83 2ah5A1 ALA 157 H -0.10 0.52 -0.18 -0.55 8.40 8.09 2ah5A1 ALA 157 HA -0.26 0.38 1.10 -0.75 4.34 4.81 2ah5A1 ALA 157 HB3 -0.68 -0.02 -0.08 -0.04 1.41 0.58 2ah5A1 ILE 158 H -0.35 0.39 0.31 -0.55 8.25 8.04 2ah5A1 ILE 158 HA -0.11 0.20 0.61 -0.75 4.18 4.12 2ah5A1 ILE 158 HB -0.00 0.08 -0.12 -0.04 1.89 1.80 2ah5A1 ILE 158 HG12 -0.05 -0.01 -0.35 -0.04 1.49 1.03 2ah5A1 ILE 158 HG13 -0.07 -0.05 -0.48 -0.04 1.21 0.56 2ah5A1 ILE 158 HG23 0.08 0.02 -0.07 -0.04 0.93 0.91 2ah5A1 ILE 158 HD13 -0.08 0.00 -0.20 -0.04 0.88 0.55 2ah5A1 ILE 159 H -0.07 0.60 0.20 -0.55 8.25 8.43 2ah5A1 ILE 159 HA 0.01 0.32 1.01 -0.75 4.18 4.76 2ah5A1 ILE 159 HB 0.13 0.00 -0.05 -0.04 1.89 1.94 2ah5A1 ILE 159 HG12 0.02 -0.09 -0.36 -0.04 1.49 1.02 2ah5A1 ILE 159 HG13 0.11 0.05 -0.23 -0.04 1.21 1.10 2ah5A1 ILE 159 HG23 -0.01 0.04 0.05 -0.04 0.93 0.97 2ah5A1 ILE 159 HD13 0.08 -0.01 -0.12 -0.04 0.88 0.79 2ah5A1 ILE 160 H -0.17 0.81 0.37 -0.55 8.25 8.71 2ah5A1 ILE 160 HA -0.10 0.27 0.92 -0.75 4.18 4.52 2ah5A1 ILE 160 HB -0.47 -0.01 0.22 -0.04 1.89 1.58 2ah5A1 ILE 160 HG12 -0.09 0.02 -0.11 -0.04 1.49 1.26 2ah5A1 ILE 160 HG13 -0.37 0.08 -0.13 -0.04 1.21 0.74 2ah5A1 ILE 160 HG23 0.09 -0.02 -0.12 -0.04 0.93 0.83 2ah5A1 ILE 160 HD13 -0.26 0.00 -0.11 -0.04 0.88 0.47 2ah5A1 GLY 161 H -0.11 0.72 0.32 -0.55 8.43 8.82 2ah5A1 GLY 161 HA2 -0.05 0.06 0.83 -0.51 4.01 4.34 2ah5A1 GLY 161 HA3 -0.05 -0.02 0.25 -0.51 4.01 3.68 2ah5A1 ASP 162 H -0.09 0.09 0.17 -0.55 8.40 8.03 2ah5A1 ASP 162 HA -0.22 0.34 1.01 -0.75 4.63 5.01 2ah5A1 ASP 162 HB2 -0.24 -0.06 0.22 -0.04 2.71 2.58 2ah5A1 ASP 162 HB3 -0.39 0.12 0.00 -0.04 2.70 2.40 2ah5A1 THR 163 H -0.03 0.07 0.05 -0.55 8.28 7.82 2ah5A1 THR 163 HA 0.01 0.28 1.09 -0.75 4.39 5.02 2ah5A1 THR 163 HB 0.24 0.01 0.12 -0.04 4.32 4.65 2ah5A1 THR 163 HG23 0.15 0.03 -0.10 -0.04 1.22 1.26 2ah5A1 LYS 164 H -0.11 0.18 0.13 -0.55 8.42 8.07 2ah5A1 LYS 164 HA -0.50 0.18 0.36 -0.75 4.32 3.61 2ah5A1 LYS 164 HB2 -0.45 0.10 0.02 -0.04 1.87 1.51 2ah5A1 LYS 164 HB3 -0.12 -0.00 0.06 -0.04 1.79 1.69 2ah5A1 LYS 164 HG2 -0.48 -0.15 0.11 -0.04 1.46 0.89 2ah5A1 LYS 164 HG3 -1.16 0.04 -0.13 -0.04 1.46 0.17 2ah5A1 LYS 164 HD2 -0.12 -0.01 0.03 -0.04 1.69 1.55 2ah5A1 LYS 164 HD3 -0.26 0.03 0.02 -0.04 1.68 1.43 2ah5A1 LYS 164 HE2 -0.45 -0.01 -0.05 -0.04 2.99 2.44 2ah5A1 LYS 164 HE3 -0.08 0.04 -0.02 -0.04 2.99 2.89 2ah5A1 PHE 165 H -0.12 0.00 -0.25 -0.55 8.34 7.42 2ah5A1 PHE 165 HA -0.11 0.12 0.45 -0.75 4.62 4.33 2ah5A1 PHE 165 HB2 -0.03 -0.03 -0.00 -0.04 3.15 3.05 2ah5A1 PHE 165 HB3 -0.03 -0.05 0.03 -0.04 3.06 2.97 2ah5A1 PHE 165 HD2 -0.03 -0.07 -0.03 -0.04 7.28 7.12 2ah5A1 PHE 165 HE2 -0.00 0.04 -0.08 -0.04 7.38 7.29 2ah5A1 PHE 165 HZ 0.00 0.04 -0.01 -0.04 7.32 7.31 2ah5A1 ASP 166 H 0.04 0.04 -0.32 -0.55 8.40 7.62 2ah5A1 ASP 166 HA 0.01 0.04 0.28 -0.75 4.63 4.21 2ah5A1 ASP 166 HB2 -0.05 0.22 0.06 -0.04 2.71 2.90 2ah5A1 ASP 166 HB3 -0.03 0.07 -0.01 -0.04 2.70 2.70 2ah5A1 LEU 168 HA -0.11 -0.02 0.32 -0.75 4.35 3.80 2ah5A1 LEU 168 HB2 -0.18 -0.01 0.09 -0.04 1.64 1.51 2ah5A1 LEU 168 HB3 -0.08 -0.07 -0.05 -0.04 1.64 1.40 2ah5A1 LEU 168 HG -0.60 0.09 0.09 -0.04 1.64 1.18 2ah5A1 LEU 168 HD13 -0.16 -0.03 -0.06 -0.04 0.93 0.65 2ah5A1 LEU 168 HD23 0.11 -0.00 0.03 -0.04 0.89 0.99 2ah5A1 GLY 169 H -0.06 0.63 -0.63 -0.55 8.43 7.83 2ah5A1 GLY 169 HA2 -0.02 -0.12 0.41 -0.51 4.01 3.78 2ah5A1 GLY 169 HA3 -0.01 0.02 0.17 -0.51 4.01 3.68 2ah5A1 ALA 170 H -0.04 0.54 0.17 -0.55 8.40 8.52 2ah5A1 ALA 170 HA -0.02 -0.02 0.35 -0.75 4.34 3.90 2ah5A1 ALA 170 HB3 -0.03 0.07 -0.11 -0.04 1.41 1.29 2ah5A1 ARG 171 H -0.03 0.12 -0.29 -0.55 8.46 7.70 2ah5A1 ARG 171 HA -0.00 0.13 0.31 -0.75 4.34 4.02 2ah5A1 ARG 171 HB2 0.02 0.06 0.06 -0.04 1.90 2.00 2ah5A1 ARG 171 HB3 0.00 0.03 0.14 -0.04 1.80 1.94 2ah5A1 ARG 171 HG2 0.02 -0.01 -0.30 -0.04 1.67 1.33 2ah5A1 ARG 171 HG3 0.02 0.00 0.01 -0.04 1.67 1.66 2ah5A1 ARG 171 HD2 0.05 0.06 -0.00 -0.04 3.22 3.28 2ah5A1 ARG 171 HD3 0.05 -0.03 -0.00 -0.04 3.22 3.20 2ah5A1 GLU 172 H -0.02 0.62 -0.06 -0.55 8.60 8.60 2ah5A1 GLU 172 HA 0.01 0.02 0.43 -0.75 4.29 4.00 2ah5A1 GLU 172 HB2 -0.01 0.07 0.16 -0.04 2.09 2.26 2ah5A1 GLU 172 HB3 0.02 -0.07 -0.01 -0.04 1.99 1.89 2ah5A1 GLU 172 HG2 0.02 -0.04 0.03 -0.04 2.34 2.31 2ah5A1 GLU 172 HG3 0.01 0.02 0.03 -0.04 2.34 2.36 2ah5A1 THR 173 H -0.05 0.31 -0.44 -0.55 8.28 7.55 2ah5A1 THR 173 HA -0.06 0.11 0.59 -0.75 4.39 4.27 2ah5A1 THR 173 HB -0.20 -0.04 0.02 -0.04 4.32 4.07 2ah5A1 THR 173 HG23 -0.53 -0.03 -0.02 -0.04 1.22 0.60 2ah5A1 GLY 174 H -0.01 0.32 -0.19 -0.55 8.43 8.00 2ah5A1 GLY 174 HA2 -0.00 0.03 0.29 -0.51 4.01 3.82 2ah5A1 GLY 174 HA3 0.01 -0.00 0.56 -0.51 4.01 4.06 2ah5A1 ILE 175 H -0.03 0.08 -0.10 -0.55 8.25 7.66 2ah5A1 ILE 175 HA -0.04 0.36 0.72 -0.75 4.18 4.45 2ah5A1 ILE 175 HB -0.13 0.06 -0.17 -0.04 1.89 1.62 2ah5A1 ILE 175 HG12 -0.02 -0.07 -0.02 -0.04 1.49 1.34 2ah5A1 ILE 175 HG13 -0.04 0.12 -0.29 -0.04 1.21 0.96 2ah5A1 ILE 175 HG23 -0.04 0.00 -0.12 -0.04 0.93 0.73 2ah5A1 ILE 175 HD13 0.04 -0.05 -0.23 -0.04 0.88 0.60 2ah5A1 GLN 176 H -0.06 0.57 0.29 -0.55 8.47 8.72 2ah5A1 GLN 176 HA -0.03 0.11 0.56 -0.75 4.36 4.25 2ah5A1 GLN 176 HB2 -0.02 0.08 0.19 -0.04 2.15 2.36 2ah5A1 GLN 176 HB3 -0.04 -0.09 0.09 -0.04 2.02 1.94 2ah5A1 GLN 176 HG2 0.00 -0.02 0.05 -0.04 2.40 2.39 2ah5A1 GLN 176 HG3 -0.00 0.10 0.06 -0.04 2.39 2.51 2ah5A1 GLN 176 HE21 0.04 -0.02 0.01 -0.04 6.97 6.97 2ah5A1 GLN 176 HE22 0.02 0.07 0.03 -0.04 7.69 7.78 2ah5A1 LYS 177 H -0.06 0.20 0.22 -0.55 8.42 8.22 2ah5A1 LYS 177 HA -0.06 0.18 0.96 -0.75 4.32 4.64 2ah5A1 LYS 177 HB2 -0.06 -0.04 -0.09 -0.04 1.87 1.64 2ah5A1 LYS 177 HB3 -0.05 0.02 -0.06 -0.04 1.79 1.66 2ah5A1 LYS 177 HG2 -0.03 0.10 -0.12 -0.04 1.46 1.36 2ah5A1 LYS 177 HG3 -0.04 -0.08 0.15 -0.04 1.46 1.45 2ah5A1 LYS 177 HD2 0.00 0.02 -0.23 -0.04 1.69 1.44 2ah5A1 LYS 177 HD3 -0.03 -0.08 -0.19 -0.04 1.68 1.33 2ah5A1 LYS 177 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.94 2ah5A1 LYS 177 HE3 -0.00 -0.07 -0.13 -0.04 2.99 2.75 2ah5A1 LEU 178 H -0.09 0.82 0.32 -0.55 8.37 8.88 2ah5A1 LEU 178 HA -0.11 0.20 0.98 -0.75 4.35 4.67 2ah5A1 LEU 178 HB2 -0.14 0.01 -0.10 -0.04 1.64 1.37 2ah5A1 LEU 178 HB3 -0.07 -0.06 0.16 -0.04 1.64 1.63 2ah5A1 LEU 178 HG 0.02 0.00 -0.18 -0.04 1.64 1.44 2ah5A1 LEU 178 HD13 -0.10 0.01 -0.11 -0.04 0.93 0.68 2ah5A1 LEU 178 HD23 0.09 0.01 -0.37 -0.04 0.89 0.57 2ah5A1 ALA 179 H -0.09 0.47 0.26 -0.55 8.40 8.50 2ah5A1 ALA 179 HA -0.13 0.21 0.67 -0.75 4.34 4.34 2ah5A1 ALA 179 HB3 -0.09 -0.00 -0.01 -0.04 1.41 1.27 2ah5A1 ILE 180 H -0.28 0.54 0.37 -0.55 8.25 8.34 2ah5A1 ILE 180 HA -0.33 0.29 1.05 -0.75 4.18 4.43 2ah5A1 ILE 180 HB -2.07 -0.07 0.02 -0.04 1.89 -0.27 2ah5A1 ILE 180 HG12 -0.80 0.00 -0.17 -0.04 1.49 0.47 2ah5A1 ILE 180 HG13 -0.58 0.03 -0.25 -0.04 1.21 0.37 2ah5A1 ILE 180 HG23 -0.29 0.03 -0.25 -0.04 0.93 0.38 2ah5A1 ILE 180 HD13 -1.84 0.02 -0.18 -0.04 0.88 -1.16 2ah5A1 THR 181 H -0.26 0.41 0.30 -0.55 8.28 8.19 2ah5A1 THR 181 HA -0.19 0.29 0.92 -0.75 4.39 4.66 2ah5A1 THR 181 HB -0.02 -0.02 0.15 -0.04 4.32 4.38 2ah5A1 THR 181 HG23 -0.07 0.01 -0.24 -0.04 1.22 0.88 2ah5A1 TRP 182 H -0.48 0.05 0.02 -0.55 7.97 7.02 2ah5A1 TRP 182 HA -0.07 0.15 0.74 -0.75 4.62 4.68 2ah5A1 TRP 182 HB2 -0.22 -0.02 0.19 -0.04 3.23 3.14 2ah5A1 TRP 182 HB3 -0.12 0.18 0.10 -0.04 3.23 3.34 2ah5A1 TRP 182 HD1 -1.97 -0.04 -0.36 -0.04 7.22 4.81 2ah5A1 TRP 182 HE1 -0.48 0.46 -0.04 -0.04 10.20 10.09 2ah5A1 TRP 182 HE3 -0.09 -0.03 -0.67 -0.04 7.59 6.76 2ah5A1 TRP 182 HZ2 0.01 0.08 -0.11 -0.04 7.44 7.38 2ah5A1 TRP 182 HZ3 -0.02 0.01 -0.55 -0.04 7.13 6.53 2ah5A1 TRP 182 HH2 0.04 0.05 -0.13 -0.04 7.19 7.11 2ah5A1 GLY 183 H -0.42 -0.01 -0.48 -0.55 8.43 6.97 2ah5A1 GLY 183 HA2 -0.35 0.09 0.63 -0.51 4.01 3.87 2ah5A1 GLY 183 HA3 -0.52 0.24 0.43 -0.51 4.01 3.64 2ah5A1 PHE 184 H -0.18 0.05 0.23 -0.55 8.34 7.89 2ah5A1 PHE 184 HA 0.08 0.17 0.39 -0.75 4.62 4.51 2ah5A1 PHE 184 HB2 0.09 -0.04 0.11 -0.04 3.15 3.26 2ah5A1 PHE 184 HB3 0.10 0.17 0.10 -0.04 3.06 3.39 2ah5A1 PHE 184 HD2 0.16 0.13 -0.17 -0.04 7.28 7.36 2ah5A1 PHE 184 HE2 0.24 -0.01 0.01 -0.04 7.38 7.58 2ah5A1 PHE 184 HZ 0.16 -0.32 0.15 -0.04 7.32 7.27 2ah5A1 GLY 185 H 0.04 0.02 0.11 -0.55 8.43 8.05 2ah5A1 GLY 185 HA2 0.08 0.02 0.60 -0.51 4.01 4.21 2ah5A1 GLY 185 HA3 0.03 0.22 0.51 -0.51 4.01 4.26 2ah5A1 GLU 186 H 0.03 0.06 0.22 -0.55 8.60 8.37 2ah5A1 GLU 186 HA 0.01 0.24 0.69 -0.75 4.29 4.47 2ah5A1 GLU 186 HB2 0.01 -0.13 0.13 -0.04 2.09 2.06 2ah5A1 GLU 186 HB3 0.01 -0.03 0.10 -0.04 1.99 2.03 2ah5A1 GLU 186 HG2 0.04 0.05 0.09 -0.04 2.34 2.47 2ah5A1 GLU 186 HG3 0.02 0.00 0.07 -0.04 2.34 2.38 2ah5A1 GLN 187 H -0.01 0.24 0.18 -0.55 8.47 8.33 2ah5A1 GLN 187 HA -0.03 0.10 0.23 -0.75 4.36 3.90 2ah5A1 GLN 187 HB2 -0.03 0.09 0.11 -0.04 2.15 2.28 2ah5A1 GLN 187 HB3 -0.02 -0.02 0.10 -0.04 2.02 2.03 2ah5A1 GLN 187 HG2 -0.04 0.01 -0.21 -0.04 2.40 2.12 2ah5A1 GLN 187 HG3 -0.04 0.00 -0.04 -0.04 2.39 2.26 2ah5A1 GLN 187 HE21 -0.06 0.01 -0.07 -0.04 6.97 6.81 2ah5A1 GLN 187 HE22 -0.05 0.02 -0.09 -0.04 7.69 7.53 2ah5A1 ALA 188 H -0.01 0.08 -0.16 -0.55 8.40 7.76 2ah5A1 ALA 188 HA -0.03 0.10 0.37 -0.75 4.34 4.03 2ah5A1 ALA 188 HB3 -0.02 0.01 0.03 -0.04 1.41 1.40 2ah5A1 ASP 189 H 0.00 0.12 -0.24 -0.55 8.40 7.73 2ah5A1 ASP 189 HA 0.01 0.08 0.44 -0.75 4.63 4.40 2ah5A1 ASP 189 HB2 0.03 0.13 0.17 -0.04 2.71 3.00 2ah5A1 ASP 189 HB3 0.09 -0.02 0.01 -0.04 2.70 2.74 2ah5A1 LEU 190 H 0.02 0.36 -0.16 -0.55 8.37 8.04 2ah5A1 LEU 190 HA 0.13 0.02 0.10 -0.75 4.35 3.85 2ah5A1 LEU 190 HB2 -0.02 0.07 0.00 -0.04 1.64 1.64 2ah5A1 LEU 190 HB3 -0.02 -0.01 -0.11 -0.04 1.64 1.46 2ah5A1 LEU 190 HG -0.02 0.03 -0.16 -0.04 1.64 1.46 2ah5A1 LEU 190 HD13 -0.09 0.01 -0.22 -0.04 0.93 0.59 2ah5A1 LEU 190 HD23 -0.06 -0.02 -0.49 -0.04 0.89 0.29 2ah5A1 LEU 191 H -0.01 0.50 -0.23 -0.55 8.37 8.08 2ah5A1 LEU 191 HA -0.02 0.07 0.37 -0.75 4.35 4.01 2ah5A1 LEU 191 HB2 -0.04 0.08 0.06 -0.04 1.64 1.69 2ah5A1 LEU 191 HB3 -0.04 -0.01 0.03 -0.04 1.64 1.57 2ah5A1 LEU 191 HG -0.04 0.04 -0.02 -0.04 1.64 1.58 2ah5A1 LEU 191 HD13 -0.04 -0.03 -0.08 -0.04 0.93 0.74 2ah5A1 LEU 191 HD23 -0.05 -0.00 -0.05 -0.04 0.89 0.74 2ah5A1 ASN 192 H -0.07 0.36 -0.34 -0.55 8.53 7.93 2ah5A1 ASN 192 HA -0.16 0.01 0.47 -0.75 4.76 4.33 2ah5A1 ASN 192 HB2 -0.38 0.21 0.14 -0.04 2.88 2.81 2ah5A1 ASN 192 HB3 -0.44 -0.06 0.08 -0.04 2.79 2.33 2ah5A1 ASN 192 HD21 -0.09 -0.08 -0.02 -0.04 7.03 6.80 2ah5A1 ASN 192 HD22 -0.15 -0.04 0.04 -0.04 7.74 7.55 2ah5A1 TYR 193 H 0.04 0.37 -0.57 -0.55 8.29 7.58 2ah5A1 TYR 193 HA -0.05 0.15 0.79 -0.75 4.56 4.70 2ah5A1 TYR 193 HB2 -0.06 0.09 -0.00 -0.04 3.06 3.04 2ah5A1 TYR 193 HB3 -0.05 -0.03 0.08 -0.04 2.98 2.93 2ah5A1 TYR 193 HD2 -0.06 0.07 -0.02 -0.04 7.15 7.10 2ah5A1 TYR 193 HE2 -0.09 -0.09 -0.05 -0.04 6.85 6.58 2ah5A1 GLN 194 H -0.02 0.43 -0.22 -0.55 8.47 8.12 2ah5A1 GLN 194 HA -0.02 0.02 0.34 -0.75 4.36 3.94 2ah5A1 GLN 194 HB2 -0.00 0.09 -0.14 -0.04 2.15 2.06 2ah5A1 GLN 194 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 2ah5A1 GLN 194 HG2 -0.03 -0.06 -0.05 -0.04 2.40 2.23 2ah5A1 GLN 194 HG3 -0.03 -0.00 -0.00 -0.04 2.39 2.31 2ah5A1 GLN 194 HE21 -0.12 0.20 -0.02 -0.04 6.97 7.00 2ah5A1 GLN 194 HE22 -0.07 -0.04 -0.02 -0.04 7.69 7.52 2ah5A1 PRO 195 HA -0.03 0.09 0.51 -0.51 4.44 4.50 2ah5A1 PRO 195 HB2 -0.08 0.08 -0.04 -0.04 2.28 2.20 2ah5A1 PRO 195 HB3 -0.05 -0.06 -0.04 -0.04 2.02 1.83 2ah5A1 PRO 195 HG2 -0.06 -0.01 -0.11 -0.04 2.03 1.81 2ah5A1 PRO 195 HG3 -0.05 -0.06 -0.14 -0.04 2.03 1.75 2ah5A1 PRO 195 HD2 -0.03 0.05 0.15 -0.04 3.68 3.81 2ah5A1 PRO 195 HD3 0.02 0.26 -0.08 -0.04 3.65 3.81 2ah5A1 ASP 196 H -0.08 0.60 0.43 -0.55 8.40 8.80 2ah5A1 ASP 196 HA -0.04 0.11 0.51 -0.75 4.63 4.45 2ah5A1 ASP 196 HB2 -0.17 0.02 0.14 -0.04 2.71 2.66 2ah5A1 ASP 196 HB3 -0.06 0.00 0.11 -0.04 2.70 2.72 2ah5A1 TYR 197 H -0.13 0.28 0.10 -0.55 8.29 7.99 2ah5A1 TYR 197 HA -0.19 0.10 0.49 -0.75 4.56 4.21 2ah5A1 TYR 197 HB2 -1.06 0.16 -0.20 -0.04 3.06 1.92 2ah5A1 TYR 197 HB3 -0.63 -0.08 -0.07 -0.04 2.98 2.16 2ah5A1 TYR 197 HD2 -0.06 0.00 -0.12 -0.04 7.15 6.93 2ah5A1 TYR 197 HE2 0.06 -0.05 -0.17 -0.04 6.85 6.66 2ah5A1 ILE 198 H -0.86 0.27 0.16 -0.55 8.25 7.26 2ah5A1 ILE 198 HA -0.11 0.34 0.93 -0.75 4.18 4.58 2ah5A1 ILE 198 HB -0.14 0.04 -0.19 -0.04 1.89 1.57 2ah5A1 ILE 198 HG12 -0.07 -0.10 -0.22 -0.04 1.49 1.06 2ah5A1 ILE 198 HG13 -0.10 0.15 -0.03 -0.04 1.21 1.20 2ah5A1 ILE 198 HG23 -0.19 -0.01 -0.09 -0.04 0.93 0.60 2ah5A1 ILE 198 HD13 -0.07 -0.01 -0.14 -0.04 0.88 0.62 2ah5A1 ALA 199 H -0.05 0.60 0.28 -0.55 8.40 8.68 2ah5A1 ALA 199 HA 0.08 0.13 0.82 -0.75 4.34 4.61 2ah5A1 ALA 199 HB3 0.28 0.04 -0.14 -0.04 1.41 1.55 2ah5A1 HIS 200 H 0.22 0.20 0.13 -0.55 8.41 8.41 2ah5A1 HIS 200 HA 0.15 0.04 0.95 -0.75 4.63 5.01 2ah5A1 HIS 200 HB2 0.08 0.06 0.09 -0.04 3.26 3.46 2ah5A1 HIS 200 HB3 0.04 0.02 -0.00 -0.04 3.20 3.21 2ah5A1 HIS 200 HD2 0.06 0.02 -0.07 -0.04 6.97 6.94 2ah5A1 HIS 200 HE1 0.03 0.04 -0.01 -0.04 7.75 7.76 2ah5A1 LYS 201 H 0.03 0.13 0.00 -0.55 8.42 8.03 2ah5A1 LYS 201 HA -0.10 0.29 0.79 -0.75 4.32 4.56 2ah5A1 LYS 201 HB2 -0.26 -0.07 0.04 -0.04 1.87 1.54 2ah5A1 LYS 201 HB3 -0.17 -0.03 -0.02 -0.04 1.79 1.52 2ah5A1 LYS 201 HG2 -0.12 0.09 0.02 -0.04 1.46 1.41 2ah5A1 LYS 201 HG3 -0.46 -0.01 -0.32 -0.04 1.46 0.62 2ah5A1 LYS 201 HD2 -0.21 0.00 -0.05 -0.04 1.69 1.40 2ah5A1 LYS 201 HD3 -0.13 -0.05 -0.03 -0.04 1.68 1.43 2ah5A1 LYS 201 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 2ah5A1 LYS 201 HE3 0.02 0.03 -0.02 -0.04 2.99 2.98 2ah5A1 PRO 202 HA -0.24 0.10 0.28 -0.51 4.44 4.06 2ah5A1 PRO 202 HB2 -0.31 -0.02 0.02 -0.04 2.28 1.93 2ah5A1 PRO 202 HB3 -0.37 0.07 -0.04 -0.04 2.02 1.65 2ah5A1 PRO 202 HG2 -0.71 0.42 0.05 -0.04 2.03 1.75 2ah5A1 PRO 202 HG3 -2.07 0.05 0.00 -0.04 2.03 -0.02 2ah5A1 PRO 202 HD2 -0.44 0.07 0.14 -0.04 3.68 3.41 2ah5A1 PRO 202 HD3 -0.92 0.17 0.17 -0.04 3.65 3.02 2ah5A1 LEU 203 H -0.12 0.11 -0.18 -0.55 8.37 7.64 2ah5A1 LEU 203 HA 0.01 0.15 0.36 -0.75 4.35 4.11 2ah5A1 LEU 203 HB2 -0.03 -0.00 0.03 -0.04 1.64 1.60 2ah5A1 LEU 203 HB3 0.00 0.06 0.08 -0.04 1.64 1.74 2ah5A1 LEU 203 HG -0.08 -0.06 0.02 -0.04 1.64 1.48 2ah5A1 LEU 203 HD13 -0.03 0.01 -0.01 -0.04 0.93 0.86 2ah5A1 LEU 203 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.68 2ah5A1 GLU 204 H 0.03 0.22 -0.34 -0.55 8.60 7.96 2ah5A1 GLU 204 HA 0.12 0.08 0.46 -0.75 4.29 4.20 2ah5A1 GLU 204 HB2 0.01 -0.10 0.13 -0.04 2.09 2.09 2ah5A1 GLU 204 HB3 0.15 0.07 0.12 -0.04 1.99 2.30 2ah5A1 GLU 204 HG2 0.23 0.12 0.06 -0.04 2.34 2.70 2ah5A1 GLU 204 HG3 0.12 0.02 0.10 -0.04 2.34 2.55 2ah5A1 VAL 205 H 0.20 0.43 -0.32 -0.55 8.24 8.00 2ah5A1 VAL 205 HA 0.27 0.02 0.21 -0.75 4.13 3.89 2ah5A1 VAL 205 HB 0.22 0.17 0.09 -0.04 2.12 2.56 2ah5A1 VAL 205 HG13 0.29 -0.00 -0.16 -0.04 0.97 1.06 2ah5A1 VAL 205 HG23 0.39 -0.03 -0.06 -0.04 0.95 1.22 2ah5A1 LEU 206 H 0.14 0.28 -0.45 -0.55 8.37 7.79 2ah5A1 LEU 206 HA 0.24 0.08 0.14 -0.75 4.35 4.05 2ah5A1 LEU 206 HB2 0.08 0.16 0.09 -0.04 1.64 1.94 2ah5A1 LEU 206 HB3 0.09 0.02 -0.06 -0.04 1.64 1.65 2ah5A1 LEU 206 HG 0.07 -0.06 0.02 -0.04 1.64 1.63 2ah5A1 LEU 206 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.89 2ah5A1 LEU 206 HD23 0.04 0.03 -0.05 -0.04 0.89 0.86 2ah5A1 ALA 207 H 0.11 0.24 -0.29 -0.55 8.40 7.92 2ah5A1 ALA 207 HA 0.05 0.03 0.30 -0.75 4.34 3.97 2ah5A1 ALA 207 HB3 0.14 0.02 0.07 -0.04 1.41 1.59 2ah5A1 TYR 208 H -0.27 0.30 -0.34 -0.55 8.29 7.43 2ah5A1 TYR 208 HA -0.52 0.05 0.41 -0.75 4.56 3.74 2ah5A1 TYR 208 HB2 -1.88 -0.08 0.06 -0.04 3.06 1.11 2ah5A1 TYR 208 HB3 -1.18 0.09 0.01 -0.04 2.98 1.85 2ah5A1 TYR 208 HD2 -0.93 -0.01 -0.06 -0.04 7.15 6.11 2ah5A1 TYR 208 HE2 -0.20 0.01 -0.04 -0.04 6.85 6.58 2ah5A1 PHE 209 H 0.06 0.28 -0.33 -0.55 8.34 7.80 2ah5A1 PHE 209 HA -0.16 0.14 0.54 -0.75 4.62 4.38 2ah5A1 PHE 209 HB2 0.04 0.05 0.03 -0.04 3.15 3.23 2ah5A1 PHE 209 HB3 0.16 0.02 0.09 -0.04 3.06 3.28 2ah5A1 PHE 209 HD2 -0.12 0.09 -0.07 -0.04 7.28 7.14 2ah5A1 PHE 209 HE2 -0.16 -0.03 -0.14 -0.04 7.38 7.02 2ah5A1 PHE 209 HZ -0.13 -0.07 -0.15 -0.04 7.32 6.93 2ah5A1 GLN 210 H -0.04 0.44 -0.64 -0.55 8.47 7.69 2ah5A1 GLN 210 HA 0.02 0.21 0.56 -0.75 4.36 4.40 2ah5A1 GLN 210 HB2 0.02 0.01 0.06 -0.04 2.15 2.20 2ah5A1 GLN 210 HB3 0.02 -0.07 0.05 -0.04 2.02 1.98 2ah5A1 GLN 210 HG2 0.08 0.11 -0.35 -0.04 2.40 2.20 2ah5A1 GLN 210 HG3 0.05 -0.11 -0.10 -0.04 2.39 2.18 2ah5A1 GLN 210 HE21 0.02 -0.02 0.02 -0.04 6.97 6.95 2ah5A1 GLN 210 HE22 0.02 -0.06 0.02 -0.04 7.69 7.63