============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 30 1.000 201.512 -9.492 11.040 -99.200 -91.000 HIS 44 0.900 201.734 -4.098 19.603 -99.200 -91.000 PHE 45 1.000 194.332 -5.459 17.107 -99.200 -91.000 PHE 49 1.000 200.922 -22.563 15.087 -99.200 -91.000 HIS 52 0.900 207.869 -16.175 26.337 -99.200 -91.000 TRP 68 1.040 197.968 7.863 27.535 -99.200 -91.000 TRP6 68 1.020 196.083 8.145 28.991 -99.200 -91.000 PHE 77 1.000 195.620 -16.605 14.183 -99.200 -91.000 PHE 79 1.000 192.894 -13.907 10.167 -99.200 -91.000 PHE 91 1.000 190.671 6.099 13.956 -99.200 -91.000 TYR 104 0.840 183.569 -12.553 16.474 -99.200 -91.000 PHE 106 1.000 185.482 -7.529 20.577 -99.200 -91.000 PHE 108 1.000 189.719 -4.209 20.798 -99.200 -91.000 TYR 119 0.840 204.949 4.516 12.276 -99.200 -91.000 PHE 126 1.000 199.810 -10.953 6.180 -99.200 -91.000 PHE 133 1.000 191.871 4.893 1.275 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2km2A10 ALA 1 HA 0.01 -0.04 0.22 -0.75 4.34 3.77 2km2A10 ALA 1 HB3 0.02 -0.04 0.07 -0.04 1.41 1.42 2km2A10 CYS 2 H 0.04 0.09 0.06 -0.55 8.50 8.14 2km2A10 CYS 2 HA 0.05 0.20 0.95 -0.75 4.58 5.02 2km2A10 CYS 2 HB2 0.08 0.07 0.02 -0.04 2.97 3.10 2km2A10 CYS 2 HB3 0.12 -0.18 0.36 -0.04 2.97 3.23 2km2A10 GLY 3 H 0.10 0.22 0.47 -0.55 8.43 8.67 2km2A10 GLY 3 HA2 0.06 -0.04 0.29 -0.51 4.01 3.81 2km2A10 GLY 3 HA3 0.04 0.15 0.70 -0.51 4.01 4.40 2km2A10 LEU 4 H 0.07 0.02 0.11 -0.55 8.37 8.02 2km2A10 LEU 4 HA 0.02 0.05 0.39 -0.75 4.35 4.06 2km2A10 LEU 4 HB2 0.04 0.03 0.15 -0.04 1.64 1.83 2km2A10 LEU 4 HB3 0.05 -0.07 0.18 -0.04 1.64 1.76 2km2A10 LEU 4 HG 0.00 0.03 -0.27 -0.04 1.64 1.36 2km2A10 LEU 4 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 2km2A10 LEU 4 HD23 0.03 -0.00 -0.07 -0.04 0.89 0.80 2km2A10 VAL 5 H -0.01 0.17 0.26 -0.55 8.24 8.10 2km2A10 VAL 5 HA -0.09 0.14 1.08 -0.75 4.13 4.50 2km2A10 VAL 5 HB -0.04 -0.02 0.19 -0.04 2.12 2.21 2km2A10 VAL 5 HG13 -0.15 -0.01 -0.07 -0.04 0.97 0.70 2km2A10 VAL 5 HG23 -0.01 0.01 -0.19 -0.04 0.95 0.72 2km2A10 ALA 6 H -0.18 0.63 0.39 -0.55 8.40 8.69 2km2A10 ALA 6 HA -0.07 0.18 0.97 -0.75 4.34 4.66 2km2A10 ALA 6 HB3 -0.05 0.03 0.00 -0.04 1.41 1.35 2km2A10 SER 7 H -0.05 0.26 0.23 -0.55 8.46 8.35 2km2A10 SER 7 HA -0.07 0.32 0.87 -0.75 4.49 4.86 2km2A10 SER 7 HB2 -0.00 -0.07 0.14 -0.04 3.95 3.98 2km2A10 SER 7 HB3 -0.06 0.07 -0.13 -0.04 3.93 3.77 2km2A10 ASN 8 H 0.01 0.18 0.26 -0.55 8.53 8.44 2km2A10 ASN 8 HA 0.01 -0.03 0.40 -0.75 4.76 4.40 2km2A10 ASN 8 HB2 0.00 -0.07 -0.16 -0.04 2.88 2.61 2km2A10 ASN 8 HB3 -0.01 0.29 0.19 -0.04 2.79 3.23 2km2A10 ASN 8 HD21 -0.01 0.05 0.13 -0.04 7.03 7.16 2km2A10 ASN 8 HD22 -0.01 -0.02 0.07 -0.04 7.74 7.75 2km2A10 LEU 9 H 0.01 0.18 -0.10 -0.55 8.37 7.91 2km2A10 LEU 9 HA 0.04 0.15 0.47 -0.75 4.35 4.26 2km2A10 LEU 9 HB2 0.02 -0.05 -0.17 -0.04 1.64 1.39 2km2A10 LEU 9 HB3 0.05 -0.01 -0.06 -0.04 1.64 1.58 2km2A10 LEU 9 HG -0.01 -0.00 -0.38 -0.04 1.64 1.20 2km2A10 LEU 9 HD13 -0.02 -0.02 -0.30 -0.04 0.93 0.55 2km2A10 LEU 9 HD23 0.03 0.01 -0.11 -0.04 0.89 0.79 2km2A10 ASN 10 H 0.03 -0.13 -0.22 -0.55 8.53 7.66 2km2A10 ASN 10 HA 0.03 -0.09 0.06 -0.75 4.76 4.01 2km2A10 ASN 10 HB2 0.03 -0.01 -0.13 -0.04 2.88 2.73 2km2A10 ASN 10 HB3 0.04 0.04 0.09 -0.04 2.79 2.92 2km2A10 ASN 10 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 2km2A10 ASN 10 HD22 0.02 -0.01 -0.03 -0.04 7.74 7.68 2km2A10 LEU 11 H 0.04 0.32 -0.05 -0.55 8.37 8.13 2km2A10 LEU 11 HA 0.18 0.11 0.73 -0.75 4.35 4.62 2km2A10 LEU 11 HB2 0.08 0.11 0.07 -0.04 1.64 1.86 2km2A10 LEU 11 HB3 0.01 -0.23 0.12 -0.04 1.64 1.49 2km2A10 LEU 11 HG 0.02 0.15 -0.08 -0.04 1.64 1.69 2km2A10 LEU 11 HD13 -0.10 0.01 0.02 -0.04 0.93 0.82 2km2A10 LEU 11 HD23 -0.06 -0.02 -0.09 -0.04 0.89 0.67 2km2A10 LYS 12 H 0.13 0.12 0.21 -0.55 8.42 8.32 2km2A10 LYS 12 HA 0.13 0.34 1.01 -0.75 4.32 5.05 2km2A10 LYS 12 HB2 0.10 -0.07 0.12 -0.04 1.87 1.98 2km2A10 LYS 12 HB3 0.08 0.10 0.10 -0.04 1.79 2.02 2km2A10 LYS 12 HG2 0.06 -0.04 0.04 -0.04 1.46 1.48 2km2A10 LYS 12 HG3 0.08 0.12 -0.05 -0.04 1.46 1.57 2km2A10 LYS 12 HD2 0.07 0.05 -0.24 -0.04 1.69 1.53 2km2A10 LYS 12 HD3 0.08 -0.01 -0.01 -0.04 1.68 1.70 2km2A10 LYS 12 HE2 0.05 -0.02 -0.03 -0.04 2.99 2.95 2km2A10 LYS 12 HE3 0.04 -0.03 -0.04 -0.04 2.99 2.92 2km2A10 PRO 13 HA 0.05 0.42 0.65 -0.51 4.44 5.05 2km2A10 PRO 13 HB2 -0.05 -0.07 0.12 -0.04 2.28 2.24 2km2A10 PRO 13 HB3 -0.12 -0.00 0.24 -0.04 2.02 2.10 2km2A10 PRO 13 HG2 0.02 -0.00 0.16 -0.04 2.03 2.17 2km2A10 PRO 13 HG3 0.02 0.03 0.17 -0.04 2.03 2.21 2km2A10 PRO 13 HD2 0.08 0.04 0.32 -0.04 3.68 4.09 2km2A10 PRO 13 HD3 0.18 0.46 0.32 -0.04 3.65 4.57 2km2A10 GLY 14 H -0.02 0.18 0.18 -0.55 8.43 8.23 2km2A10 GLY 14 HA2 -0.02 -0.04 0.33 -0.51 4.01 3.77 2km2A10 GLY 14 HA3 -0.00 0.17 0.74 -0.51 4.01 4.41 2km2A10 GLU 15 H -0.00 0.22 -0.10 -0.55 8.60 8.17 2km2A10 GLU 15 HA -0.04 0.13 0.90 -0.75 4.29 4.53 2km2A10 GLU 15 HB2 -0.07 0.18 0.09 -0.04 2.09 2.25 2km2A10 GLU 15 HB3 -0.24 -0.02 0.03 -0.04 1.99 1.72 2km2A10 GLU 15 HG2 0.06 -0.01 -0.07 -0.04 2.34 2.27 2km2A10 GLU 15 HG3 0.04 0.02 -0.44 -0.04 2.34 1.92 2km2A10 CYS 16 H -0.12 0.08 0.14 -0.55 8.50 8.05 2km2A10 CYS 16 HA -0.07 0.13 0.76 -0.75 4.58 4.64 2km2A10 CYS 16 HB2 -0.06 0.00 -0.01 -0.04 2.97 2.86 2km2A10 CYS 16 HB3 -0.04 0.03 -0.05 -0.04 2.97 2.86 2km2A10 LEU 17 H -0.08 0.46 0.25 -0.55 8.37 8.45 2km2A10 LEU 17 HA -0.20 0.20 0.91 -0.75 4.35 4.51 2km2A10 LEU 17 HB2 -0.15 -0.04 -0.05 -0.04 1.64 1.36 2km2A10 LEU 17 HB3 -0.05 0.06 0.26 -0.04 1.64 1.86 2km2A10 LEU 17 HG -0.03 -0.00 -0.20 -0.04 1.64 1.37 2km2A10 LEU 17 HD13 -0.06 0.04 0.03 -0.04 0.93 0.90 2km2A10 LEU 17 HD23 -0.02 -0.03 -0.09 -0.04 0.89 0.72 2km2A10 ARG 18 H -0.03 0.83 0.35 -0.55 8.46 9.06 2km2A10 ARG 18 HA -0.01 0.24 1.08 -0.75 4.34 4.89 2km2A10 ARG 18 HB2 -0.01 -0.03 -0.19 -0.04 1.90 1.63 2km2A10 ARG 18 HB3 0.01 0.07 0.04 -0.04 1.80 1.88 2km2A10 ARG 18 HG2 0.02 -0.06 -0.41 -0.04 1.67 1.18 2km2A10 ARG 18 HG3 0.01 -0.02 -0.24 -0.04 1.67 1.38 2km2A10 ARG 18 HD2 0.02 0.02 -0.14 -0.04 3.22 3.07 2km2A10 ARG 18 HD3 0.02 -0.05 -0.17 -0.04 3.22 2.98 2km2A10 VAL 19 H -0.01 0.52 0.28 -0.55 8.24 8.48 2km2A10 VAL 19 HA 0.03 0.06 1.14 -0.75 4.13 4.60 2km2A10 VAL 19 HB -0.06 -0.00 0.17 -0.04 2.12 2.19 2km2A10 VAL 19 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 2km2A10 VAL 19 HG23 0.00 0.03 -0.18 -0.04 0.95 0.76 2km2A10 ARG 20 H 0.05 0.49 0.26 -0.55 8.46 8.71 2km2A10 ARG 20 HA 0.07 0.14 0.98 -0.75 4.34 4.78 2km2A10 ARG 20 HB2 0.03 -0.01 -0.07 -0.04 1.90 1.81 2km2A10 ARG 20 HB3 0.04 0.01 0.12 -0.04 1.80 1.92 2km2A10 ARG 20 HG2 0.02 -0.01 -0.26 -0.04 1.67 1.38 2km2A10 ARG 20 HG3 0.03 0.02 -0.06 -0.04 1.67 1.62 2km2A10 ARG 20 HD2 0.02 -0.00 -0.08 -0.04 3.22 3.12 2km2A10 ARG 20 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.10 2km2A10 GLY 21 H 0.20 0.42 0.28 -0.55 8.43 8.77 2km2A10 GLY 21 HA2 -0.03 -0.10 0.88 -0.51 4.01 4.25 2km2A10 GLY 21 HA3 0.09 0.06 0.46 -0.51 4.01 4.11 2km2A10 GLU 22 H -0.70 0.97 0.44 -0.55 8.60 8.77 2km2A10 GLU 22 HA -0.30 0.11 0.95 -0.75 4.29 4.30 2km2A10 GLU 22 HB2 -0.17 0.02 -0.18 -0.04 2.09 1.71 2km2A10 GLU 22 HB3 -0.25 -0.02 0.04 -0.04 1.99 1.72 2km2A10 GLU 22 HG2 -0.19 0.07 -0.35 -0.04 2.34 1.83 2km2A10 GLU 22 HG3 -0.14 -0.02 -0.13 -0.04 2.34 2.02 2km2A10 VAL 23 H -0.24 0.49 0.17 -0.55 8.24 8.10 2km2A10 VAL 23 HA -0.35 0.04 0.93 -0.75 4.13 4.00 2km2A10 VAL 23 HB -0.08 0.16 0.33 -0.04 2.12 2.50 2km2A10 VAL 23 HG13 -0.02 -0.05 0.01 -0.04 0.97 0.87 2km2A10 VAL 23 HG23 0.03 -0.03 -0.08 -0.04 0.95 0.83 2km2A10 ALA 24 H -0.14 0.46 0.30 -0.55 8.40 8.48 2km2A10 ALA 24 HA -0.09 0.11 0.38 -0.75 4.34 3.98 2km2A10 ALA 24 HB3 -0.06 0.01 0.09 -0.04 1.41 1.41 2km2A10 PRO 25 HA -0.07 0.14 0.37 -0.51 4.44 4.37 2km2A10 PRO 25 HB2 -0.05 0.05 0.01 -0.04 2.28 2.25 2km2A10 PRO 25 HB3 -0.05 0.08 0.12 -0.04 2.02 2.14 2km2A10 PRO 25 HG2 -0.04 0.03 0.06 -0.04 2.03 2.03 2km2A10 PRO 25 HG3 -0.04 0.08 0.09 -0.04 2.03 2.12 2km2A10 PRO 25 HD2 -0.05 0.09 0.23 -0.04 3.68 3.91 2km2A10 PRO 25 HD3 -0.06 0.19 0.21 -0.04 3.65 3.95 2km2A10 ASP 26 H -0.06 0.09 -0.39 -0.55 8.40 7.49 2km2A10 ASP 26 HA -0.12 0.26 0.77 -0.75 4.63 4.79 2km2A10 ASP 26 HB2 -0.03 0.04 -0.02 -0.04 2.71 2.66 2km2A10 ASP 26 HB3 -0.02 -0.01 0.16 -0.04 2.70 2.78 2km2A10 ALA 27 H -0.16 0.28 -0.42 -0.55 8.40 7.55 2km2A10 ALA 27 HA 0.01 0.03 0.37 -0.75 4.34 3.99 2km2A10 ALA 27 HB3 -0.00 0.01 0.03 -0.04 1.41 1.40 2km2A10 LYS 28 H 0.02 0.85 0.16 -0.55 8.42 8.89 2km2A10 LYS 28 HA 0.20 0.00 0.37 -0.75 4.32 4.13 2km2A10 LYS 28 HB2 0.06 0.04 0.11 -0.04 1.87 2.04 2km2A10 LYS 28 HB3 0.06 -0.02 0.17 -0.04 1.79 1.95 2km2A10 LYS 28 HG2 0.06 -0.04 -0.15 -0.04 1.46 1.30 2km2A10 LYS 28 HG3 0.12 0.04 0.09 -0.04 1.46 1.67 2km2A10 LYS 28 HD2 0.06 -0.01 0.04 -0.04 1.69 1.73 2km2A10 LYS 28 HD3 0.04 -0.03 0.01 -0.04 1.68 1.66 2km2A10 LYS 28 HE2 0.02 -0.05 0.02 -0.04 2.99 2.94 2km2A10 LYS 28 HE3 0.05 0.14 0.08 -0.04 2.99 3.22 2km2A10 SER 29 H 0.09 0.14 -0.05 -0.55 8.46 8.09 2km2A10 SER 29 HA 0.08 0.23 0.62 -0.75 4.49 4.67 2km2A10 SER 29 HB2 0.02 0.09 -0.13 -0.04 3.95 3.89 2km2A10 SER 29 HB3 0.04 -0.07 -0.09 -0.04 3.93 3.77 2km2A10 PHE 30 H 0.14 0.57 0.17 -0.55 8.34 8.67 2km2A10 PHE 30 HA 0.03 -0.03 0.96 -0.75 4.62 4.84 2km2A10 PHE 30 HB2 0.09 -0.14 -0.16 -0.04 3.15 2.90 2km2A10 PHE 30 HB3 0.05 0.09 -0.03 -0.04 3.06 3.12 2km2A10 PHE 30 HD2 0.01 -0.12 -0.12 -0.04 7.28 7.01 2km2A10 PHE 30 HE2 -0.11 -0.00 -0.21 -0.04 7.38 7.01 2km2A10 PHE 30 HZ -0.23 0.01 -0.17 -0.04 7.32 6.89 2km2A10 VAL 31 H -0.62 0.17 0.04 -0.55 8.24 7.28 2km2A10 VAL 31 HA -0.50 0.33 1.12 -0.75 4.13 4.33 2km2A10 VAL 31 HB -0.19 0.02 0.00 -0.04 2.12 1.92 2km2A10 VAL 31 HG13 -0.10 0.03 -0.25 -0.04 0.97 0.61 2km2A10 VAL 31 HG23 -0.15 -0.07 0.17 -0.04 0.95 0.86 2km2A10 LEU 32 H -0.45 0.74 0.34 -0.55 8.37 8.45 2km2A10 LEU 32 HA -0.23 0.19 1.06 -0.75 4.35 4.62 2km2A10 LEU 32 HB2 -0.14 -0.03 -0.13 -0.04 1.64 1.30 2km2A10 LEU 32 HB3 -0.12 0.00 0.09 -0.04 1.64 1.57 2km2A10 LEU 32 HG 0.02 -0.02 -0.40 -0.04 1.64 1.20 2km2A10 LEU 32 HD13 0.03 0.04 -0.03 -0.04 0.93 0.92 2km2A10 LEU 32 HD23 0.05 -0.01 -0.13 -0.04 0.89 0.76 2km2A10 ASN 33 H -0.02 0.60 0.37 -0.55 8.53 8.94 2km2A10 ASN 33 HA 0.01 0.25 1.00 -0.75 4.76 5.27 2km2A10 ASN 33 HB2 0.12 0.00 0.05 -0.04 2.88 3.01 2km2A10 ASN 33 HB3 0.14 0.01 -0.23 -0.04 2.79 2.67 2km2A10 ASN 33 HD21 0.09 0.01 -0.14 -0.04 7.03 6.95 2km2A10 ASN 33 HD22 0.14 -0.03 -0.10 -0.04 7.74 7.70 2km2A10 LEU 34 H 0.03 0.32 0.25 -0.55 8.37 8.42 2km2A10 LEU 34 HA 0.10 0.30 0.98 -0.75 4.35 4.97 2km2A10 LEU 34 HB2 -0.01 0.03 0.04 -0.04 1.64 1.66 2km2A10 LEU 34 HB3 0.02 0.03 -0.22 -0.04 1.64 1.43 2km2A10 LEU 34 HG -0.00 -0.07 0.31 -0.04 1.64 1.84 2km2A10 LEU 34 HD13 -0.05 0.00 -0.09 -0.04 0.93 0.74 2km2A10 LEU 34 HD23 0.06 0.01 -0.13 -0.04 0.89 0.78 2km2A10 GLY 35 H 0.14 0.78 0.34 -0.55 8.43 9.15 2km2A10 GLY 35 HA2 -0.09 0.05 0.65 -0.51 4.01 4.11 2km2A10 GLY 35 HA3 -0.04 0.17 0.67 -0.51 4.01 4.30 2km2A10 LYS 36 H -0.05 0.45 0.39 -0.55 8.42 8.66 2km2A10 LYS 36 HA 0.01 -0.07 0.66 -0.75 4.32 4.17 2km2A10 LYS 36 HB2 -0.04 -0.06 0.26 -0.04 1.87 1.98 2km2A10 LYS 36 HB3 -0.01 0.03 0.10 -0.04 1.79 1.86 2km2A10 LYS 36 HG2 -0.03 0.07 0.14 -0.04 1.46 1.60 2km2A10 LYS 36 HG3 -0.05 -0.01 0.21 -0.04 1.46 1.57 2km2A10 LYS 36 HD2 -0.02 -0.01 0.07 -0.04 1.69 1.68 2km2A10 LYS 36 HD3 -0.03 -0.04 0.08 -0.04 1.68 1.66 2km2A10 LYS 36 HE2 -0.01 -0.01 0.03 -0.04 2.99 2.97 2km2A10 LYS 36 HE3 -0.00 0.02 0.05 -0.04 2.99 3.02 2km2A10 ASP 37 H -0.11 0.19 0.04 -0.55 8.40 7.97 2km2A10 ASP 37 HA -0.38 0.24 0.54 -0.75 4.63 4.28 2km2A10 ASP 37 HB2 -0.12 -0.09 -0.05 -0.04 2.71 2.41 2km2A10 ASP 37 HB3 -0.18 -0.11 0.15 -0.04 2.70 2.51 2km2A10 SER 38 H -0.48 0.21 0.08 -0.55 8.46 7.72 2km2A10 SER 38 HA -0.50 0.14 0.31 -0.75 4.49 3.69 2km2A10 SER 38 HB2 -0.25 0.06 0.08 -0.04 3.95 3.81 2km2A10 SER 38 HB3 -0.17 -0.06 0.10 -0.04 3.93 3.75 2km2A10 ASN 39 H -0.15 0.09 -0.14 -0.55 8.53 7.79 2km2A10 ASN 39 HA -0.08 0.24 0.57 -0.75 4.76 4.74 2km2A10 ASN 39 HB2 -0.05 -0.01 -0.16 -0.04 2.88 2.62 2km2A10 ASN 39 HB3 -0.02 -0.00 -0.24 -0.04 2.79 2.48 2km2A10 ASN 39 HD21 -0.04 0.03 -0.10 -0.04 7.03 6.88 2km2A10 ASN 39 HD22 -0.04 0.06 -0.08 -0.04 7.74 7.64 2km2A10 ASN 40 H -0.14 0.12 -0.71 -0.55 8.53 7.25 2km2A10 ASN 40 HA -0.04 0.15 1.12 -0.75 4.76 5.24 2km2A10 ASN 40 HB2 -0.08 -0.23 0.22 -0.04 2.88 2.74 2km2A10 ASN 40 HB3 -0.05 0.08 0.23 -0.04 2.79 3.01 2km2A10 ASN 40 HD21 -0.10 -0.16 -0.14 -0.04 7.03 6.59 2km2A10 ASN 40 HD22 -0.04 0.18 -0.12 -0.04 7.74 7.71 2km2A10 LEU 41 H -0.06 0.37 -0.16 -0.55 8.37 7.98 2km2A10 LEU 41 HA -0.05 0.06 0.75 -0.75 4.35 4.36 2km2A10 LEU 41 HB2 -0.05 -0.06 0.01 -0.04 1.64 1.49 2km2A10 LEU 41 HB3 -0.02 0.09 -0.10 -0.04 1.64 1.57 2km2A10 LEU 41 HG -0.11 -0.06 -0.32 -0.04 1.64 1.11 2km2A10 LEU 41 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.80 2km2A10 LEU 41 HD23 -0.02 -0.04 -0.30 -0.04 0.89 0.48 2km2A10 CYS 42 H -0.06 0.34 0.30 -0.55 8.50 8.54 2km2A10 CYS 42 HA -0.04 0.03 0.58 -0.75 4.58 4.40 2km2A10 CYS 42 HB2 -0.04 0.08 0.18 -0.04 2.97 3.15 2km2A10 CYS 42 HB3 0.05 0.02 0.04 -0.04 2.97 3.04 2km2A10 LEU 43 H -0.05 0.15 0.17 -0.55 8.37 8.08 2km2A10 LEU 43 HA -0.21 0.24 0.86 -0.75 4.35 4.48 2km2A10 LEU 43 HB2 -0.05 -0.03 0.06 -0.04 1.64 1.58 2km2A10 LEU 43 HB3 -0.52 0.00 -0.07 -0.04 1.64 1.01 2km2A10 LEU 43 HG 0.02 -0.15 -0.59 -0.04 1.64 0.87 2km2A10 LEU 43 HD13 0.15 0.00 -0.12 -0.04 0.93 0.92 2km2A10 LEU 43 HD23 -0.11 0.07 -0.08 -0.04 0.89 0.73 2km2A10 HIS 44 H -0.39 0.15 0.17 -0.55 8.41 7.79 2km2A10 HIS 44 HA -0.18 0.22 1.05 -0.75 4.63 4.96 2km2A10 HIS 44 HB2 -0.12 -0.03 -0.13 -0.04 3.26 2.94 2km2A10 HIS 44 HB3 -0.16 -0.15 0.34 -0.04 3.20 3.18 2km2A10 HIS 44 HD2 -0.08 -0.03 -0.05 -0.04 6.97 6.77 2km2A10 HIS 44 HE1 -0.05 -0.01 -0.10 -0.04 7.75 7.54 2km2A10 PHE 45 H -0.24 0.42 0.24 -0.55 8.34 8.22 2km2A10 PHE 45 HA -0.15 0.19 0.82 -0.75 4.62 4.72 2km2A10 PHE 45 HB2 -0.15 0.02 0.12 -0.04 3.15 3.09 2km2A10 PHE 45 HB3 -0.09 0.01 -0.03 -0.04 3.06 2.90 2km2A10 PHE 45 HD2 -0.09 0.02 -0.15 -0.04 7.28 7.03 2km2A10 PHE 45 HE2 -0.22 0.00 -0.15 -0.04 7.38 6.97 2km2A10 PHE 45 HZ -0.68 0.02 -0.14 -0.04 7.32 6.49 2km2A10 ASN 46 H 0.04 0.08 0.09 -0.55 8.53 8.20 2km2A10 ASN 46 HA -0.17 0.36 0.91 -0.75 4.76 5.11 2km2A10 ASN 46 HB2 -0.29 0.02 -0.13 -0.04 2.88 2.43 2km2A10 ASN 46 HB3 -0.08 -0.03 0.12 -0.04 2.79 2.75 2km2A10 ASN 46 HD21 -0.07 0.53 -0.02 -0.04 7.03 7.43 2km2A10 ASN 46 HD22 -0.04 -0.16 -0.19 -0.04 7.74 7.32 2km2A10 PRO 47 HA -0.08 0.18 0.38 -0.51 4.44 4.41 2km2A10 PRO 47 HB2 -0.35 0.03 -0.13 -0.04 2.28 1.79 2km2A10 PRO 47 HB3 -0.03 0.05 -0.02 -0.04 2.02 1.97 2km2A10 PRO 47 HG2 0.21 -0.08 0.03 -0.04 2.03 2.15 2km2A10 PRO 47 HG3 0.27 0.03 -0.05 -0.04 2.03 2.25 2km2A10 PRO 47 HD2 0.04 0.41 0.17 -0.04 3.68 4.25 2km2A10 PRO 47 HD3 0.09 0.03 -0.03 -0.04 3.65 3.70 2km2A10 ARG 48 H -0.16 0.22 0.12 -0.55 8.46 8.09 2km2A10 ARG 48 HA -0.01 0.23 1.00 -0.75 4.34 4.80 2km2A10 ARG 48 HB2 -0.07 -0.00 0.16 -0.04 1.90 1.94 2km2A10 ARG 48 HB3 -0.05 -0.11 -0.04 -0.04 1.80 1.56 2km2A10 ARG 48 HG2 -0.03 0.01 -0.07 -0.04 1.67 1.53 2km2A10 ARG 48 HG3 -0.04 0.20 -0.49 -0.04 1.67 1.30 2km2A10 ARG 48 HD2 -0.04 0.01 -0.00 -0.04 3.22 3.14 2km2A10 ARG 48 HD3 -0.08 -0.14 -0.01 -0.04 3.22 2.94 2km2A10 PHE 49 H 0.12 0.53 0.10 -0.55 8.34 8.54 2km2A10 PHE 49 HA -0.10 -0.07 0.48 -0.75 4.62 4.17 2km2A10 PHE 49 HB2 0.00 0.14 0.14 -0.04 3.15 3.40 2km2A10 PHE 49 HB3 -0.00 -0.05 0.25 -0.04 3.06 3.21 2km2A10 PHE 49 HD2 0.05 -0.01 -0.05 -0.04 7.28 7.24 2km2A10 PHE 49 HE2 0.05 -0.00 -0.01 -0.04 7.38 7.38 2km2A10 PHE 49 HZ 0.03 -0.00 0.00 -0.04 7.32 7.31 2km2A10 ASN 50 H 0.12 0.26 -0.08 -0.55 8.53 8.29 2km2A10 ASN 50 HA -0.13 0.22 0.66 -0.75 4.76 4.75 2km2A10 ASN 50 HB2 -0.20 0.06 -0.17 -0.04 2.88 2.53 2km2A10 ASN 50 HB3 0.14 -0.07 0.11 -0.04 2.79 2.93 2km2A10 ASN 50 HD21 0.07 -0.05 -0.01 -0.04 7.03 7.00 2km2A10 ASN 50 HD22 0.02 0.00 -0.03 -0.04 7.74 7.69 2km2A10 ALA 51 H -0.06 0.08 -0.10 -0.55 8.40 7.78 2km2A10 ALA 51 HA -0.06 0.25 0.76 -0.75 4.34 4.53 2km2A10 ALA 51 HB3 -0.14 -0.00 0.10 -0.04 1.41 1.32 2km2A10 HIS 52 H -0.19 0.12 0.12 -0.55 8.41 7.91 2km2A10 HIS 52 HA 0.00 0.11 0.40 -0.75 4.63 4.39 2km2A10 HIS 52 HB2 -0.00 -0.07 0.12 -0.04 3.26 3.27 2km2A10 HIS 52 HB3 -0.00 0.06 0.01 -0.04 3.20 3.23 2km2A10 HIS 52 HD2 0.01 0.06 -0.03 -0.04 6.97 6.95 2km2A10 HIS 52 HE1 0.01 0.01 -0.00 -0.04 7.75 7.72 2km2A10 GLY 53 H 0.05 -0.18 -0.17 -0.55 8.43 7.58 2km2A10 GLY 53 HA2 0.01 0.13 0.23 -0.51 4.01 3.86 2km2A10 GLY 53 HA3 0.03 0.07 0.43 -0.51 4.01 4.02 2km2A10 ASP 54 H -0.02 -0.15 0.04 -0.55 8.40 7.72 2km2A10 ASP 54 HA -0.03 0.27 0.88 -0.75 4.63 5.00 2km2A10 ASP 54 HB2 -0.03 -0.09 0.04 -0.04 2.71 2.59 2km2A10 ASP 54 HB3 -0.03 -0.00 0.15 -0.04 2.70 2.78 2km2A10 ALA 55 H -0.06 0.20 0.15 -0.55 8.40 8.14 2km2A10 ALA 55 HA -0.18 0.34 0.79 -0.75 4.34 4.54 2km2A10 ALA 55 HB3 -0.11 0.00 -0.07 -0.04 1.41 1.19 2km2A10 ASN 56 H -0.18 0.28 0.22 -0.55 8.53 8.31 2km2A10 ASN 56 HA -0.34 -0.02 0.24 -0.75 4.76 3.88 2km2A10 ASN 56 HB2 0.01 0.03 -0.14 -0.04 2.88 2.74 2km2A10 ASN 56 HB3 0.14 -0.00 0.14 -0.04 2.79 3.03 2km2A10 ASN 56 HD21 0.06 -0.02 -0.02 -0.04 7.03 7.01 2km2A10 ASN 56 HD22 0.12 0.02 0.05 -0.04 7.74 7.88 2km2A10 THR 57 H -0.13 0.13 -0.20 -0.55 8.28 7.53 2km2A10 THR 57 HA -0.02 0.20 0.99 -0.75 4.39 4.81 2km2A10 THR 57 HB -0.04 -0.11 0.06 -0.04 4.32 4.19 2km2A10 THR 57 HG23 0.00 -0.01 -0.07 -0.04 1.22 1.11 2km2A10 ILE 58 H 0.03 0.41 0.26 -0.55 8.25 8.40 2km2A10 ILE 58 HA 0.03 0.22 0.80 -0.75 4.18 4.47 2km2A10 ILE 58 HB 0.10 0.16 0.17 -0.04 1.89 2.28 2km2A10 ILE 58 HG12 0.04 -0.06 -0.15 -0.04 1.49 1.27 2km2A10 ILE 58 HG13 -0.01 -0.08 -0.51 -0.04 1.21 0.57 2km2A10 ILE 58 HG23 0.22 -0.03 -0.14 -0.04 0.93 0.94 2km2A10 ILE 58 HD13 0.21 -0.00 -0.03 -0.04 0.88 1.02 2km2A10 VAL 59 H 0.06 0.24 0.15 -0.55 8.24 8.14 2km2A10 VAL 59 HA 0.10 0.14 1.05 -0.75 4.13 4.66 2km2A10 VAL 59 HB 0.05 -0.01 0.16 -0.04 2.12 2.29 2km2A10 VAL 59 HG13 0.07 0.03 -0.10 -0.04 0.97 0.93 2km2A10 VAL 59 HG23 0.04 -0.01 -0.17 -0.04 0.95 0.77 2km2A10 CYS 60 H 0.14 0.23 -0.02 -0.55 8.50 8.30 2km2A10 CYS 60 HA -0.28 0.35 0.78 -0.75 4.58 4.68 2km2A10 CYS 60 HB2 -0.01 -0.01 -0.09 -0.04 2.97 2.83 2km2A10 CYS 60 HB3 0.26 -0.09 0.01 -0.04 2.97 3.12 2km2A10 ASN 61 H -0.06 0.41 0.39 -0.55 8.53 8.73 2km2A10 ASN 61 HA 0.03 0.34 1.04 -0.75 4.76 5.41 2km2A10 ASN 61 HB2 0.04 0.02 -0.12 -0.04 2.88 2.78 2km2A10 ASN 61 HB3 0.09 -0.01 0.07 -0.04 2.79 2.90 2km2A10 ASN 61 HD21 0.01 0.16 -0.35 -0.04 7.03 6.81 2km2A10 ASN 61 HD22 -0.02 -0.11 -0.14 -0.04 7.74 7.42 2km2A10 SER 62 H 0.02 0.51 0.08 -0.55 8.46 8.52 2km2A10 SER 62 HA -0.03 0.15 0.60 -0.75 4.49 4.45 2km2A10 SER 62 HB2 -0.00 0.11 -0.11 -0.04 3.95 3.91 2km2A10 SER 62 HB3 0.02 -0.12 0.12 -0.04 3.93 3.90 2km2A10 LYS 63 H -0.03 0.87 0.24 -0.55 8.42 8.95 2km2A10 LYS 63 HA 0.10 -0.22 0.98 -0.75 4.32 4.44 2km2A10 LYS 63 HB2 -0.03 0.08 -0.27 -0.04 1.87 1.61 2km2A10 LYS 63 HB3 -0.03 -0.02 0.03 -0.04 1.79 1.73 2km2A10 LYS 63 HG2 0.05 -0.20 0.04 -0.04 1.46 1.31 2km2A10 LYS 63 HG3 0.06 -0.05 0.08 -0.04 1.46 1.51 2km2A10 LYS 63 HD2 -0.04 -0.01 0.02 -0.04 1.69 1.62 2km2A10 LYS 63 HD3 -0.01 0.06 -0.03 -0.04 1.68 1.65 2km2A10 LYS 63 HE2 -0.03 0.03 -0.09 -0.04 2.99 2.85 2km2A10 LYS 63 HE3 -0.09 0.01 -0.12 -0.04 2.99 2.76 2km2A10 ASP 64 H 0.19 0.06 0.15 -0.55 8.40 8.25 2km2A10 ASP 64 HA -0.02 0.10 0.91 -0.75 4.63 4.87 2km2A10 ASP 64 HB2 -0.28 0.02 -0.00 -0.04 2.71 2.40 2km2A10 ASP 64 HB3 0.06 0.03 0.17 -0.04 2.70 2.92 2km2A10 GLY 65 H 0.01 0.14 -0.07 -0.55 8.43 7.96 2km2A10 GLY 65 HA2 0.00 -0.07 0.12 -0.51 4.01 3.55 2km2A10 GLY 65 HA3 0.05 0.12 0.33 -0.51 4.01 4.01 2km2A10 GLY 66 H 0.04 0.39 -0.46 -0.55 8.43 7.86 2km2A10 GLY 66 HA2 0.02 -0.03 0.25 -0.51 4.01 3.74 2km2A10 GLY 66 HA3 0.00 0.10 0.41 -0.51 4.01 4.01 2km2A10 ALA 67 H 0.22 0.02 -0.23 -0.55 8.40 7.86 2km2A10 ALA 67 HA -0.07 0.25 0.83 -0.75 4.34 4.60 2km2A10 ALA 67 HB3 0.03 0.06 0.02 -0.04 1.41 1.48 2km2A10 TRP 68 H 0.22 -0.08 -0.03 -0.55 7.97 7.53 2km2A10 TRP 68 HA -0.01 0.27 0.85 -0.75 4.62 4.98 2km2A10 TRP 68 HB2 -0.01 -0.31 0.23 -0.04 3.23 3.10 2km2A10 TRP 68 HB3 -0.00 0.04 0.09 -0.04 3.23 3.32 2km2A10 TRP 68 HD1 -0.01 -0.14 -0.16 -0.04 7.22 6.87 2km2A10 TRP 68 HE1 -0.00 0.02 -0.04 -0.04 10.20 10.13 2km2A10 TRP 68 HE3 0.00 -0.02 0.02 -0.04 7.59 7.55 2km2A10 TRP 68 HZ2 0.00 -0.01 -0.00 -0.04 7.44 7.39 2km2A10 TRP 68 HZ3 0.00 0.00 0.01 -0.04 7.13 7.10 2km2A10 TRP 68 HH2 0.00 0.00 0.01 -0.04 7.19 7.16 2km2A10 GLY 69 H 0.24 0.01 0.38 -0.55 8.43 8.52 2km2A10 GLY 69 HA2 0.05 0.08 0.34 -0.51 4.01 3.97 2km2A10 GLY 69 HA3 0.05 0.09 0.53 -0.51 4.01 4.17 2km2A10 THR 70 H 0.17 0.01 0.05 -0.55 8.28 7.96 2km2A10 THR 70 HA 0.11 0.06 0.39 -0.75 4.39 4.19 2km2A10 THR 70 HB 0.07 -0.02 0.12 -0.04 4.32 4.46 2km2A10 THR 70 HG23 0.10 0.01 -0.00 -0.04 1.22 1.29 2km2A10 GLU 71 H 0.07 0.14 0.29 -0.55 8.60 8.56 2km2A10 GLU 71 HA 0.06 0.31 1.16 -0.75 4.29 5.06 2km2A10 GLU 71 HB2 0.04 0.05 0.02 -0.04 2.09 2.16 2km2A10 GLU 71 HB3 0.05 -0.05 0.19 -0.04 1.99 2.13 2km2A10 GLU 71 HG2 0.06 0.07 -0.16 -0.04 2.34 2.27 2km2A10 GLU 71 HG3 0.06 0.01 -0.11 -0.04 2.34 2.25 2km2A10 GLN 72 H 0.11 0.81 0.37 -0.55 8.47 9.21 2km2A10 GLN 72 HA 0.09 0.19 0.89 -0.75 4.36 4.77 2km2A10 GLN 72 HB2 0.26 0.01 0.08 -0.04 2.15 2.46 2km2A10 GLN 72 HB3 0.14 -0.08 0.21 -0.04 2.02 2.25 2km2A10 GLN 72 HG2 0.07 0.02 -0.04 -0.04 2.40 2.41 2km2A10 GLN 72 HG3 0.10 -0.06 -0.68 -0.04 2.39 1.71 2km2A10 GLN 72 HE21 0.10 -0.01 0.01 -0.04 6.97 7.03 2km2A10 GLN 72 HE22 0.02 0.01 0.00 -0.04 7.69 7.68 2km2A10 ARG 73 H 0.14 0.22 0.22 -0.55 8.46 8.48 2km2A10 ARG 73 HA 0.13 0.15 1.06 -0.75 4.34 4.92 2km2A10 ARG 73 HB2 0.06 0.04 0.04 -0.04 1.90 2.00 2km2A10 ARG 73 HB3 0.07 0.05 -0.20 -0.04 1.80 1.68 2km2A10 ARG 73 HG2 0.07 -0.05 0.12 -0.04 1.67 1.76 2km2A10 ARG 73 HG3 0.06 -0.01 -0.02 -0.04 1.67 1.66 2km2A10 ARG 73 HD2 0.03 0.02 -0.04 -0.04 3.22 3.18 2km2A10 ARG 73 HD3 0.04 0.02 -0.03 -0.04 3.22 3.20 2km2A10 GLU 74 H 0.13 0.72 0.35 -0.55 8.60 9.26 2km2A10 GLU 74 HA 0.05 0.14 0.92 -0.75 4.29 4.64 2km2A10 GLU 74 HB2 0.38 0.01 -0.12 -0.04 2.09 2.32 2km2A10 GLU 74 HB3 0.20 0.02 0.08 -0.04 1.99 2.26 2km2A10 GLU 74 HG2 0.03 -0.18 -0.16 -0.04 2.34 1.99 2km2A10 GLU 74 HG3 -0.01 0.02 -0.00 -0.04 2.34 2.31 2km2A10 ALA 75 H -0.07 0.18 0.08 -0.55 8.40 8.04 2km2A10 ALA 75 HA -0.00 0.20 0.83 -0.75 4.34 4.61 2km2A10 ALA 75 HB3 -0.04 0.01 0.17 -0.04 1.41 1.50 2km2A10 VAL 76 H 0.01 0.20 -0.45 -0.55 8.24 7.45 2km2A10 VAL 76 HA -0.11 0.18 0.89 -0.75 4.13 4.34 2km2A10 VAL 76 HB -0.02 -0.03 0.02 -0.04 2.12 2.05 2km2A10 VAL 76 HG13 -0.04 -0.00 -0.16 -0.04 0.97 0.74 2km2A10 VAL 76 HG23 -0.31 0.02 -0.27 -0.04 0.95 0.35 2km2A10 PHE 77 H 0.01 0.17 -0.04 -0.55 8.34 7.93 2km2A10 PHE 77 HA 0.16 0.09 0.50 -0.75 4.62 4.61 2km2A10 PHE 77 HB2 0.08 0.11 -0.32 -0.04 3.15 2.97 2km2A10 PHE 77 HB3 0.03 0.06 0.01 -0.04 3.06 3.12 2km2A10 PHE 77 HD2 0.18 0.03 0.05 -0.04 7.28 7.50 2km2A10 PHE 77 HE2 0.19 0.01 -0.05 -0.04 7.38 7.50 2km2A10 PHE 77 HZ 0.19 -0.02 -0.25 -0.04 7.32 7.20 2km2A10 PRO 78 HA -0.39 0.16 0.46 -0.51 4.44 4.16 2km2A10 PRO 78 HB2 -0.57 0.03 0.23 -0.04 2.28 1.93 2km2A10 PRO 78 HB3 -0.33 0.03 0.12 -0.04 2.02 1.80 2km2A10 PRO 78 HG2 -1.15 0.01 0.01 -0.04 2.03 0.86 2km2A10 PRO 78 HG3 -0.33 -0.01 0.05 -0.04 2.03 1.70 2km2A10 PRO 78 HD2 -0.45 0.15 -0.04 -0.04 3.68 3.30 2km2A10 PRO 78 HD3 -0.21 0.04 -0.04 -0.04 3.65 3.40 2km2A10 PHE 79 H -1.26 0.42 -0.65 -0.55 8.34 6.30 2km2A10 PHE 79 HA -0.27 0.17 0.82 -0.75 4.62 4.58 2km2A10 PHE 79 HB2 -1.24 -0.02 -0.13 -0.04 3.15 1.72 2km2A10 PHE 79 HB3 -0.22 0.05 -0.08 -0.04 3.06 2.76 2km2A10 PHE 79 HD2 -0.35 0.02 -0.15 -0.04 7.28 6.76 2km2A10 PHE 79 HE2 -0.07 0.02 -0.10 -0.04 7.38 7.19 2km2A10 PHE 79 HZ -0.07 -0.03 -0.03 -0.04 7.32 7.15 2km2A10 GLN 80 H 0.04 0.15 0.07 -0.55 8.47 8.19 2km2A10 GLN 80 HA 0.16 0.20 0.87 -0.75 4.36 4.83 2km2A10 GLN 80 HB2 0.00 -0.06 -0.03 -0.04 2.15 2.01 2km2A10 GLN 80 HB3 0.02 0.14 0.00 -0.04 2.02 2.14 2km2A10 GLN 80 HG2 0.06 -0.00 -0.02 -0.04 2.40 2.40 2km2A10 GLN 80 HG3 0.07 0.14 -0.19 -0.04 2.39 2.36 2km2A10 GLN 80 HE21 -0.08 -0.18 -0.34 -0.04 6.97 6.32 2km2A10 GLN 80 HE22 -0.08 0.02 -0.15 -0.04 7.69 7.43 2km2A10 PRO 81 HA -0.07 0.02 0.43 -0.51 4.44 4.31 2km2A10 PRO 81 HB2 -0.18 0.24 0.04 -0.04 2.28 2.33 2km2A10 PRO 81 HB3 -0.39 -0.10 0.05 -0.04 2.02 1.54 2km2A10 PRO 81 HG2 -0.10 0.05 0.09 -0.04 2.03 2.02 2km2A10 PRO 81 HG3 -0.39 0.03 0.08 -0.04 2.03 1.71 2km2A10 PRO 81 HD2 0.03 0.10 0.20 -0.04 3.68 3.96 2km2A10 PRO 81 HD3 -0.01 0.14 0.17 -0.04 3.65 3.92 2km2A10 GLY 82 H -0.08 0.78 0.04 -0.55 8.43 8.63 2km2A10 GLY 82 HA2 -0.07 0.14 0.16 -0.51 4.01 3.73 2km2A10 GLY 82 HA3 -0.06 -0.05 0.33 -0.51 4.01 3.72 2km2A10 SER 83 H -0.05 0.16 -0.09 -0.55 8.46 7.93 2km2A10 SER 83 HA -0.03 0.14 0.88 -0.75 4.49 4.72 2km2A10 SER 83 HB2 -0.01 0.11 -0.35 -0.04 3.95 3.66 2km2A10 SER 83 HB3 0.02 0.08 -0.02 -0.04 3.93 3.97 2km2A10 VAL 84 H -0.02 0.16 0.17 -0.55 8.24 8.00 2km2A10 VAL 84 HA -0.07 0.04 0.84 -0.75 4.13 4.19 2km2A10 VAL 84 HB -0.05 -0.02 0.11 -0.04 2.12 2.12 2km2A10 VAL 84 HG13 -0.01 -0.01 0.08 -0.04 0.97 0.99 2km2A10 VAL 84 HG23 -0.03 0.06 0.05 -0.04 0.95 0.99 2km2A10 ALA 85 H 0.04 0.35 0.28 -0.55 8.40 8.53 2km2A10 ALA 85 HA 0.10 0.11 0.70 -0.75 4.34 4.49 2km2A10 ALA 85 HB3 0.22 -0.00 -0.18 -0.04 1.41 1.41 2km2A10 GLU 86 H 0.10 0.18 0.19 -0.55 8.60 8.53 2km2A10 GLU 86 HA 0.05 0.28 1.10 -0.75 4.29 4.96 2km2A10 GLU 86 HB2 0.05 -0.02 0.09 -0.04 2.09 2.17 2km2A10 GLU 86 HB3 0.03 0.04 -0.09 -0.04 1.99 1.93 2km2A10 GLU 86 HG2 0.04 -0.03 -0.06 -0.04 2.34 2.26 2km2A10 GLU 86 HG3 0.05 -0.09 -0.28 -0.04 2.34 1.98 2km2A10 VAL 87 H -0.04 0.48 0.29 -0.55 8.24 8.42 2km2A10 VAL 87 HA 0.03 0.18 1.01 -0.75 4.13 4.59 2km2A10 VAL 87 HB -0.15 -0.03 0.13 -0.04 2.12 2.03 2km2A10 VAL 87 HG13 -0.09 0.01 -0.15 -0.04 0.97 0.70 2km2A10 VAL 87 HG23 -0.32 -0.02 -0.26 -0.04 0.95 0.31 2km2A10 CYS 88 H 0.02 0.51 0.29 -0.55 8.50 8.77 2km2A10 CYS 88 HA -0.01 0.26 0.99 -0.75 4.58 5.07 2km2A10 CYS 88 HB2 0.01 -0.02 -0.03 -0.04 2.97 2.89 2km2A10 CYS 88 HB3 0.01 0.18 0.23 -0.04 2.97 3.35 2km2A10 ILE 89 H -0.02 1.05 0.45 -0.55 8.25 9.18 2km2A10 ILE 89 HA 0.01 0.12 1.05 -0.75 4.18 4.62 2km2A10 ILE 89 HB -0.00 0.01 0.12 -0.04 1.89 1.98 2km2A10 ILE 89 HG12 -0.01 0.00 -0.19 -0.04 1.49 1.25 2km2A10 ILE 89 HG13 -0.03 -0.02 -0.59 -0.04 1.21 0.53 2km2A10 ILE 89 HG23 0.06 -0.00 -0.17 -0.04 0.93 0.78 2km2A10 ILE 89 HD13 -0.00 -0.01 -0.14 -0.04 0.88 0.68 2km2A10 THR 90 H 0.04 0.63 0.36 -0.55 8.28 8.76 2km2A10 THR 90 HA 0.02 0.21 1.05 -0.75 4.39 4.91 2km2A10 THR 90 HB 0.01 0.07 0.19 -0.04 4.32 4.55 2km2A10 THR 90 HG23 -0.02 0.01 -0.16 -0.04 1.22 1.01 2km2A10 PHE 91 H 0.14 0.30 0.13 -0.55 8.34 8.35 2km2A10 PHE 91 HA 0.01 0.14 0.98 -0.75 4.62 5.00 2km2A10 PHE 91 HB2 0.00 -0.01 -0.13 -0.04 3.15 2.97 2km2A10 PHE 91 HB3 -0.01 0.03 0.04 -0.04 3.06 3.07 2km2A10 PHE 91 HD2 0.01 -0.01 -0.20 -0.04 7.28 7.03 2km2A10 PHE 91 HE2 -0.00 -0.01 -0.33 -0.04 7.38 7.00 2km2A10 PHE 91 HZ -0.01 0.15 -0.20 -0.04 7.32 7.22 2km2A10 ASP 92 H -0.35 0.43 0.27 -0.55 8.40 8.20 2km2A10 ASP 92 HA -0.31 0.08 0.98 -0.75 4.63 4.62 2km2A10 ASP 92 HB2 -0.16 0.26 0.15 -0.04 2.71 2.91 2km2A10 ASP 92 HB3 -0.15 -0.12 0.09 -0.04 2.70 2.48 2km2A10 GLN 93 H -0.24 0.12 0.17 -0.55 8.47 7.98 2km2A10 GLN 93 HA -0.27 0.18 0.38 -0.75 4.36 3.89 2km2A10 GLN 93 HB2 -0.10 0.05 0.13 -0.04 2.15 2.19 2km2A10 GLN 93 HB3 -0.10 -0.08 0.10 -0.04 2.02 1.91 2km2A10 GLN 93 HG2 -0.07 0.01 -0.14 -0.04 2.40 2.17 2km2A10 GLN 93 HG3 -0.05 0.08 0.03 -0.04 2.39 2.40 2km2A10 GLN 93 HE21 -0.00 0.07 -0.04 -0.04 6.97 6.96 2km2A10 GLN 93 HE22 -0.01 -0.03 -0.01 -0.04 7.69 7.60 2km2A10 ALA 94 H -0.14 -0.03 -0.18 -0.55 8.40 7.51 2km2A10 ALA 94 HA -0.07 0.07 0.40 -0.75 4.34 3.98 2km2A10 ALA 94 HB3 -0.07 -0.01 0.03 -0.04 1.41 1.32 2km2A10 ASN 95 H -0.14 0.09 -0.25 -0.55 8.53 7.68 2km2A10 ASN 95 HA -0.06 -0.04 0.48 -0.75 4.76 4.39 2km2A10 ASN 95 HB2 -0.05 -0.01 0.01 -0.04 2.88 2.78 2km2A10 ASN 95 HB3 -0.06 0.15 -0.47 -0.04 2.79 2.36 2km2A10 ASN 95 HD21 -0.06 0.00 -0.28 -0.04 7.03 6.65 2km2A10 ASN 95 HD22 -0.06 -0.01 -0.19 -0.04 7.74 7.45 2km2A10 LEU 96 H 0.03 0.81 0.33 -0.55 8.37 9.00 2km2A10 LEU 96 HA 0.02 0.07 0.97 -0.75 4.35 4.66 2km2A10 LEU 96 HB2 0.25 0.00 0.22 -0.04 1.64 2.07 2km2A10 LEU 96 HB3 0.18 -0.02 0.01 -0.04 1.64 1.77 2km2A10 LEU 96 HG 0.09 -0.04 -0.27 -0.04 1.64 1.38 2km2A10 LEU 96 HD13 0.20 -0.01 -0.17 -0.04 0.93 0.91 2km2A10 LEU 96 HD23 0.24 0.00 -0.06 -0.04 0.89 1.03 2km2A10 THR 97 H 0.04 0.53 0.32 -0.55 8.28 8.62 2km2A10 THR 97 HA 0.04 0.27 1.04 -0.75 4.39 4.99 2km2A10 THR 97 HB 0.00 -0.04 0.10 -0.04 4.32 4.34 2km2A10 THR 97 HG23 -0.01 0.00 -0.11 -0.04 1.22 1.06 2km2A10 VAL 98 H 0.08 0.38 0.26 -0.55 8.24 8.42 2km2A10 VAL 98 HA 0.03 0.18 1.09 -0.75 4.13 4.67 2km2A10 VAL 98 HB 0.09 -0.04 0.12 -0.04 2.12 2.25 2km2A10 VAL 98 HG13 -0.06 0.01 -0.18 -0.04 0.97 0.70 2km2A10 VAL 98 HG23 0.02 0.03 -0.24 -0.04 0.95 0.72 2km2A10 LYS 99 H 0.02 0.55 0.23 -0.55 8.42 8.67 2km2A10 LYS 99 HA 0.04 0.20 1.02 -0.75 4.32 4.82 2km2A10 LYS 99 HB2 0.01 -0.04 -0.13 -0.04 1.87 1.67 2km2A10 LYS 99 HB3 0.02 -0.04 0.09 -0.04 1.79 1.81 2km2A10 LYS 99 HG2 0.02 0.09 -0.29 -0.04 1.46 1.24 2km2A10 LYS 99 HG3 0.01 0.04 -0.08 -0.04 1.46 1.39 2km2A10 LYS 99 HD2 -0.00 -0.03 -0.09 -0.04 1.69 1.52 2km2A10 LYS 99 HD3 0.01 -0.04 -0.11 -0.04 1.68 1.50 2km2A10 LYS 99 HE2 0.01 0.03 -0.10 -0.04 2.99 2.89 2km2A10 LYS 99 HE3 0.00 0.04 -0.06 -0.04 2.99 2.93 2km2A10 LEU 100 H 0.08 0.40 0.18 -0.55 8.37 8.49 2km2A10 LEU 100 HA 0.15 0.19 0.85 -0.75 4.35 4.78 2km2A10 LEU 100 HB2 0.04 -0.15 0.11 -0.04 1.64 1.59 2km2A10 LEU 100 HB3 0.14 0.04 0.12 -0.04 1.64 1.89 2km2A10 LEU 100 HG 0.13 0.15 0.01 -0.04 1.64 1.88 2km2A10 LEU 100 HD13 0.11 -0.01 -0.08 -0.04 0.93 0.91 2km2A10 LEU 100 HD23 0.14 0.03 -0.23 -0.04 0.89 0.78 2km2A10 PRO 101 HA 0.03 0.11 0.39 -0.51 4.44 4.46 2km2A10 PRO 101 HB2 0.03 0.06 0.08 -0.04 2.28 2.40 2km2A10 PRO 101 HB3 0.07 0.02 0.21 -0.04 2.02 2.29 2km2A10 PRO 101 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 2km2A10 PRO 101 HG3 0.32 -0.04 0.15 -0.04 2.03 2.42 2km2A10 PRO 101 HD2 0.30 0.02 0.25 -0.04 3.68 4.21 2km2A10 PRO 101 HD3 0.23 0.49 0.38 -0.04 3.65 4.71 2km2A10 ASP 102 H -0.09 0.04 -0.31 -0.55 8.40 7.49 2km2A10 ASP 102 HA -0.08 0.11 0.43 -0.75 4.63 4.35 2km2A10 ASP 102 HB2 -0.26 0.06 0.14 -0.04 2.71 2.61 2km2A10 ASP 102 HB3 -0.07 -0.13 0.07 -0.04 2.70 2.52 2km2A10 GLY 103 H 0.02 0.20 -0.36 -0.55 8.43 7.75 2km2A10 GLY 103 HA2 0.01 0.05 0.24 -0.51 4.01 3.80 2km2A10 GLY 103 HA3 0.02 0.20 0.82 -0.51 4.01 4.54 2km2A10 TYR 104 H 0.13 -0.02 -0.16 -0.55 8.29 7.69 2km2A10 TYR 104 HA 0.02 0.09 0.50 -0.75 4.56 4.41 2km2A10 TYR 104 HB2 -0.02 0.03 0.04 -0.04 3.06 3.06 2km2A10 TYR 104 HB3 -0.02 -0.08 0.07 -0.04 2.98 2.91 2km2A10 TYR 104 HD2 0.03 -0.03 -0.18 -0.04 7.15 6.93 2km2A10 TYR 104 HE2 0.04 -0.03 -0.09 -0.04 6.85 6.73 2km2A10 GLU 105 H -0.56 0.19 0.25 -0.55 8.60 7.94 2km2A10 GLU 105 HA 0.03 0.31 1.07 -0.75 4.29 4.95 2km2A10 GLU 105 HB2 -0.05 0.04 -0.09 -0.04 2.09 1.94 2km2A10 GLU 105 HB3 -0.12 -0.04 0.10 -0.04 1.99 1.88 2km2A10 GLU 105 HG2 -0.02 0.00 -0.18 -0.04 2.34 2.10 2km2A10 GLU 105 HG3 0.01 0.16 -0.06 -0.04 2.34 2.41 2km2A10 PHE 106 H 0.19 0.34 0.29 -0.55 8.34 8.61 2km2A10 PHE 106 HA -0.01 0.19 0.96 -0.75 4.62 5.01 2km2A10 PHE 106 HB2 0.31 -0.01 -0.18 -0.04 3.15 3.23 2km2A10 PHE 106 HB3 0.25 -0.01 -0.01 -0.04 3.06 3.25 2km2A10 PHE 106 HD2 0.45 0.01 -0.03 -0.04 7.28 7.66 2km2A10 PHE 106 HE2 -0.09 -0.01 0.04 -0.04 7.38 7.28 2km2A10 PHE 106 HZ -0.03 -0.01 0.08 -0.04 7.32 7.31 2km2A10 LYS 107 H -1.07 0.15 0.18 -0.55 8.42 7.12 2km2A10 LYS 107 HA -0.09 0.30 1.00 -0.75 4.32 4.78 2km2A10 LYS 107 HB2 -0.40 -0.03 0.15 -0.04 1.87 1.55 2km2A10 LYS 107 HB3 -0.19 0.01 -0.04 -0.04 1.79 1.52 2km2A10 LYS 107 HG2 -0.16 -0.06 -0.24 -0.04 1.46 0.96 2km2A10 LYS 107 HG3 -0.13 0.00 -0.06 -0.04 1.46 1.23 2km2A10 LYS 107 HD2 -0.08 -0.00 -0.09 -0.04 1.69 1.47 2km2A10 LYS 107 HD3 -0.06 0.11 -0.06 -0.04 1.68 1.62 2km2A10 LYS 107 HE2 -0.06 -0.00 -0.13 -0.04 2.99 2.75 2km2A10 LYS 107 HE3 -0.07 -0.01 -0.10 -0.04 2.99 2.77 2km2A10 PHE 108 H 0.12 0.71 0.33 -0.55 8.34 8.95 2km2A10 PHE 108 HA -0.03 0.20 0.94 -0.75 4.62 4.98 2km2A10 PHE 108 HB2 0.12 0.01 0.00 -0.04 3.15 3.24 2km2A10 PHE 108 HB3 0.10 0.02 -0.04 -0.04 3.06 3.10 2km2A10 PHE 108 HD2 0.27 0.00 -0.25 -0.04 7.28 7.26 2km2A10 PHE 108 HE2 0.37 -0.03 -0.08 -0.04 7.38 7.59 2km2A10 PHE 108 HZ 0.29 -0.04 -0.14 -0.04 7.32 7.38 2km2A10 PRO 109 HA -0.03 0.08 0.48 -0.51 4.44 4.46 2km2A10 PRO 109 HB2 -0.03 0.02 -0.05 -0.04 2.28 2.18 2km2A10 PRO 109 HB3 -0.06 0.06 0.09 -0.04 2.02 2.07 2km2A10 PRO 109 HG2 -0.03 -0.01 0.12 -0.04 2.03 2.06 2km2A10 PRO 109 HG3 -0.10 0.06 0.09 -0.04 2.03 2.04 2km2A10 PRO 109 HD2 -0.33 0.09 0.26 -0.04 3.68 3.66 2km2A10 PRO 109 HD3 -0.23 0.19 0.16 -0.04 3.65 3.73 2km2A10 ASN 110 H -0.02 0.27 0.11 -0.55 8.53 8.34 2km2A10 ASN 110 HA 0.06 0.09 0.76 -0.75 4.76 4.92 2km2A10 ASN 110 HB2 0.04 -0.02 0.06 -0.04 2.88 2.92 2km2A10 ASN 110 HB3 -0.03 -0.06 -0.09 -0.04 2.79 2.56 2km2A10 ASN 110 HD21 -0.02 0.29 0.17 -0.04 7.03 7.43 2km2A10 ASN 110 HD22 -0.06 0.01 0.14 -0.04 7.74 7.79 2km2A10 ARG 111 H -0.01 0.31 -0.06 -0.55 8.46 8.15 2km2A10 ARG 111 HA -0.07 0.06 0.30 -0.75 4.34 3.88 2km2A10 ARG 111 HB2 -0.11 -0.03 0.06 -0.04 1.90 1.77 2km2A10 ARG 111 HB3 -0.19 -0.01 0.03 -0.04 1.80 1.59 2km2A10 ARG 111 HG2 -0.04 0.01 -0.01 -0.04 1.67 1.59 2km2A10 ARG 111 HG3 -0.02 0.05 -0.04 -0.04 1.67 1.63 2km2A10 ARG 111 HD2 -0.01 0.00 0.00 -0.04 3.22 3.17 2km2A10 ARG 111 HD3 -0.03 -0.02 0.00 -0.04 3.22 3.13 2km2A10 LEU 112 H -0.04 -0.02 -0.48 -0.55 8.37 7.28 2km2A10 LEU 112 HA -0.16 0.08 0.58 -0.75 4.35 4.10 2km2A10 LEU 112 HB2 0.01 0.03 0.03 -0.04 1.64 1.68 2km2A10 LEU 112 HB3 -0.04 -0.08 -0.02 -0.04 1.64 1.46 2km2A10 LEU 112 HG -0.16 -0.02 -0.10 -0.04 1.64 1.32 2km2A10 LEU 112 HD13 -0.08 -0.00 -0.13 -0.04 0.93 0.67 2km2A10 LEU 112 HD23 -0.33 -0.00 -0.10 -0.04 0.89 0.42 2km2A10 ASN 113 H -0.05 0.11 0.09 -0.55 8.53 8.13 2km2A10 ASN 113 HA 0.01 0.26 0.58 -0.75 4.76 4.85 2km2A10 ASN 113 HB2 -0.01 -0.06 0.09 -0.04 2.88 2.86 2km2A10 ASN 113 HB3 -0.00 0.01 0.15 -0.04 2.79 2.91 2km2A10 ASN 113 HD21 -0.04 0.04 0.01 -0.04 7.03 7.01 2km2A10 ASN 113 HD22 -0.02 -0.05 0.03 -0.04 7.74 7.66 2km2A10 LEU 114 H 0.09 0.06 -0.76 -0.55 8.37 7.22 2km2A10 LEU 114 HA 0.05 -0.03 0.38 -0.75 4.35 4.00 2km2A10 LEU 114 HB2 0.01 -0.07 0.02 -0.04 1.64 1.56 2km2A10 LEU 114 HB3 0.23 0.08 -0.04 -0.04 1.64 1.87 2km2A10 LEU 114 HG -0.06 -0.02 -0.40 -0.04 1.64 1.12 2km2A10 LEU 114 HD13 -0.03 -0.05 0.13 -0.04 0.93 0.93 2km2A10 LEU 114 HD23 -0.35 -0.01 -0.13 -0.04 0.89 0.37 2km2A10 GLU 115 H 0.07 0.06 0.21 -0.55 8.60 8.40 2km2A10 GLU 115 HA 0.17 0.16 0.69 -0.75 4.29 4.57 2km2A10 GLU 115 HB2 0.07 0.01 0.12 -0.04 2.09 2.25 2km2A10 GLU 115 HB3 0.06 0.05 0.09 -0.04 1.99 2.15 2km2A10 GLU 115 HG2 0.05 -0.12 0.09 -0.04 2.34 2.32 2km2A10 GLU 115 HG3 0.06 0.04 -0.30 -0.04 2.34 2.10 2km2A10 ALA 116 H 0.04 -0.00 0.01 -0.55 8.40 7.89 2km2A10 ALA 116 HA 0.06 0.39 0.63 -0.75 4.34 4.66 2km2A10 ALA 116 HB3 0.04 -0.01 -0.29 -0.04 1.41 1.11 2km2A10 ILE 117 H -0.07 0.46 0.16 -0.55 8.25 8.24 2km2A10 ILE 117 HA -0.14 0.05 0.67 -0.75 4.18 4.01 2km2A10 ILE 117 HB -0.09 0.02 0.05 -0.04 1.89 1.83 2km2A10 ILE 117 HG12 -0.48 -0.01 -0.20 -0.04 1.49 0.76 2km2A10 ILE 117 HG13 -0.59 -0.00 -0.27 -0.04 1.21 0.31 2km2A10 ILE 117 HG23 -0.06 0.01 -0.21 -0.04 0.93 0.62 2km2A10 ILE 117 HD13 -0.19 0.01 -0.14 -0.04 0.88 0.52 2km2A10 ASN 118 H -0.00 0.22 0.09 -0.55 8.53 8.29 2km2A10 ASN 118 HA 0.02 -0.06 0.87 -0.75 4.76 4.84 2km2A10 ASN 118 HB2 0.04 0.13 0.21 -0.04 2.88 3.23 2km2A10 ASN 118 HB3 0.04 -0.08 0.17 -0.04 2.79 2.87 2km2A10 ASN 118 HD21 -0.00 0.03 -0.10 -0.04 7.03 6.92 2km2A10 ASN 118 HD22 0.01 0.05 -0.26 -0.04 7.74 7.49 2km2A10 TYR 119 H 0.11 0.56 0.41 -0.55 8.29 8.81 2km2A10 TYR 119 HA -0.01 0.21 0.94 -0.75 4.56 4.95 2km2A10 TYR 119 HB2 -0.02 0.27 -0.39 -0.04 3.06 2.87 2km2A10 TYR 119 HB3 -0.03 -0.09 -0.30 -0.04 2.98 2.52 2km2A10 TYR 119 HD2 -0.01 -0.02 -0.26 -0.04 7.15 6.82 2km2A10 TYR 119 HE2 -0.00 0.01 -0.14 -0.04 6.85 6.68 2km2A10 MET 120 H -0.38 0.48 0.18 -0.55 8.47 8.20 2km2A10 MET 120 HA 0.01 0.23 0.98 -0.75 4.52 4.99 2km2A10 MET 120 HB2 -0.02 -0.02 -0.35 -0.04 2.15 1.72 2km2A10 MET 120 HB3 -0.06 -0.03 -0.04 -0.04 2.03 1.86 2km2A10 MET 120 HG2 -0.02 0.02 -0.23 -0.04 2.63 2.36 2km2A10 MET 120 HG3 0.00 0.03 0.01 -0.04 2.56 2.56 2km2A10 MET 120 HE3 0.00 -0.00 -0.16 -0.04 2.10 1.90 2km2A10 ALA 121 H 0.00 0.65 0.38 -0.55 8.40 8.89 2km2A10 ALA 121 HA -0.05 0.26 0.86 -0.75 4.34 4.65 2km2A10 ALA 121 HB3 -0.04 -0.01 -0.05 -0.04 1.41 1.28 2km2A10 ALA 122 H 0.03 0.56 0.17 -0.55 8.40 8.62 2km2A10 ALA 122 HA -0.03 0.24 0.98 -0.75 4.34 4.77 2km2A10 ALA 122 HB3 0.24 -0.01 -0.01 -0.04 1.41 1.59 2km2A10 ASP 123 H -0.05 0.46 0.20 -0.55 8.40 8.46 2km2A10 ASP 123 HA 0.13 -0.07 1.07 -0.75 4.63 5.00 2km2A10 ASP 123 HB2 0.04 0.01 -0.11 -0.04 2.71 2.61 2km2A10 ASP 123 HB3 0.02 0.02 0.20 -0.04 2.70 2.90 2km2A10 GLY 124 H 0.26 0.22 0.19 -0.55 8.43 8.56 2km2A10 GLY 124 HA2 0.14 0.19 0.54 -0.51 4.01 4.37 2km2A10 GLY 124 HA3 0.36 -0.16 0.61 -0.51 4.01 4.30 2km2A10 ASP 125 H 0.31 0.32 0.21 -0.55 8.40 8.70 2km2A10 ASP 125 HA 0.07 0.18 0.63 -0.75 4.63 4.75 2km2A10 ASP 125 HB2 0.13 -0.01 -0.07 -0.04 2.71 2.72 2km2A10 ASP 125 HB3 0.03 -0.05 0.12 -0.04 2.70 2.77 2km2A10 PHE 126 H 0.24 -0.00 -0.49 -0.55 8.34 7.53 2km2A10 PHE 126 HA -0.23 0.14 0.89 -0.75 4.62 4.67 2km2A10 PHE 126 HB2 -1.08 -0.01 -0.14 -0.04 3.15 1.88 2km2A10 PHE 126 HB3 -1.27 -0.06 -0.05 -0.04 3.06 1.63 2km2A10 PHE 126 HD2 -0.35 -0.05 -0.43 -0.04 7.28 6.41 2km2A10 PHE 126 HE2 -0.19 0.00 -0.27 -0.04 7.38 6.87 2km2A10 PHE 126 HZ -0.15 -0.00 -0.09 -0.04 7.32 7.04 2km2A10 LYS 127 H -0.84 0.95 0.37 -0.55 8.42 8.34 2km2A10 LYS 127 HA -0.06 0.14 0.88 -0.75 4.32 4.53 2km2A10 LYS 127 HB2 -0.16 -0.01 -0.02 -0.04 1.87 1.64 2km2A10 LYS 127 HB3 -0.30 0.02 0.22 -0.04 1.79 1.68 2km2A10 LYS 127 HG2 -0.11 -0.04 -0.33 -0.04 1.46 0.93 2km2A10 LYS 127 HG3 -0.06 0.08 -0.01 -0.04 1.46 1.43 2km2A10 LYS 127 HD2 -0.08 0.00 -0.05 -0.04 1.69 1.53 2km2A10 LYS 127 HD3 -0.11 -0.05 -0.07 -0.04 1.68 1.41 2km2A10 LYS 127 HE2 -0.05 -0.01 -0.08 -0.04 2.99 2.80 2km2A10 LYS 127 HE3 -0.04 0.08 -0.03 -0.04 2.99 2.96 2km2A10 ILE 128 H 0.08 0.21 0.15 -0.55 8.25 8.13 2km2A10 ILE 128 HA 0.22 0.05 0.72 -0.75 4.18 4.42 2km2A10 ILE 128 HB 0.26 -0.01 -0.03 -0.04 1.89 2.08 2km2A10 ILE 128 HG12 0.07 -0.00 -0.29 -0.04 1.49 1.23 2km2A10 ILE 128 HG13 0.13 0.08 -0.13 -0.04 1.21 1.25 2km2A10 ILE 128 HG23 0.08 0.00 0.15 -0.04 0.93 1.13 2km2A10 ILE 128 HD13 0.07 -0.01 -0.13 -0.04 0.88 0.77 2km2A10 LYS 129 H 0.02 0.26 0.40 -0.55 8.42 8.54 2km2A10 LYS 129 HA -0.00 0.16 0.78 -0.75 4.32 4.51 2km2A10 LYS 129 HB2 -0.02 0.04 0.09 -0.04 1.87 1.94 2km2A10 LYS 129 HB3 -0.02 -0.01 0.06 -0.04 1.79 1.79 2km2A10 LYS 129 HG2 -0.04 0.04 -0.10 -0.04 1.46 1.32 2km2A10 LYS 129 HG3 -0.08 -0.05 -0.21 -0.04 1.46 1.09 2km2A10 LYS 129 HD2 -0.06 0.00 -0.09 -0.04 1.69 1.50 2km2A10 LYS 129 HD3 -0.04 0.00 -0.04 -0.04 1.68 1.56 2km2A10 LYS 129 HE2 -0.06 0.01 -0.06 -0.04 2.99 2.84 2km2A10 LYS 129 HE3 -0.11 -0.02 -0.08 -0.04 2.99 2.74 2km2A10 CYS 130 H 0.04 0.32 0.23 -0.55 8.50 8.55 2km2A10 CYS 130 HA 0.02 0.11 0.66 -0.75 4.58 4.62 2km2A10 CYS 130 HB2 0.02 0.07 0.04 -0.04 2.97 3.05 2km2A10 CYS 130 HB3 0.02 -0.05 -0.20 -0.04 2.97 2.70 2km2A10 VAL 131 H 0.03 0.22 0.16 -0.55 8.24 8.10 2km2A10 VAL 131 HA 0.04 0.08 1.03 -0.75 4.13 4.53 2km2A10 VAL 131 HB 0.04 -0.01 0.12 -0.04 2.12 2.23 2km2A10 VAL 131 HG13 0.06 0.03 -0.11 -0.04 0.97 0.91 2km2A10 VAL 131 HG23 0.04 -0.01 -0.22 -0.04 0.95 0.71 2km2A10 ALA 132 H 0.05 0.77 0.52 -0.55 8.40 9.18 2km2A10 ALA 132 HA 0.09 0.08 1.02 -0.75 4.34 4.77 2km2A10 ALA 132 HB3 0.05 0.01 -0.01 -0.04 1.41 1.41 2km2A10 PHE 133 H 0.21 0.06 0.12 -0.55 8.34 8.18 2km2A10 PHE 133 HA 0.01 0.10 0.61 -0.75 4.62 4.59 2km2A10 PHE 133 HB2 0.01 0.01 0.16 -0.04 3.15 3.28 2km2A10 PHE 133 HB3 0.01 -0.06 0.21 -0.04 3.06 3.18 2km2A10 PHE 133 HD2 0.01 -0.05 0.05 -0.04 7.28 7.25 2km2A10 PHE 133 HE2 0.01 0.03 0.02 -0.04 7.38 7.41 2km2A10 PHE 133 HZ 0.02 0.02 0.05 -0.04 7.32 7.37 2km2A10 ASP 134 H 0.21 0.00 0.12 -0.55 8.40 8.19 2km2A10 ASP 134 HA -0.08 0.18 0.31 -0.75 4.63 4.29 2km2A10 ASP 134 HB2 -0.04 -0.01 0.19 -0.04 2.71 2.82 2km2A10 ASP 134 HB3 0.13 -0.00 0.14 -0.04 2.70 2.93