============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 9 0.840 9.902 -0.233 38.613 -99.200 -91.000 PHE 10 1.000 5.626 -0.772 45.531 -99.200 -91.000 PHE 27 1.000 14.514 7.200 54.573 -99.200 -91.000 PHE 38 1.000 9.568 -1.631 49.838 -99.200 -91.000 PHE 48 1.000 9.766 -15.157 48.617 -99.200 -91.000 TYR 50 0.840 6.533 -5.837 48.584 -99.200 -91.000 PHE 55 1.000 -0.421 -0.152 48.099 -99.200 -91.000 HIS 56 0.900 -3.927 -5.624 53.373 -99.200 -91.000 PHE 62 1.000 -3.661 5.682 60.375 -99.200 -91.000 PHE 69 1.000 5.181 -12.018 49.287 -99.200 -91.000 PHE 72 1.000 -2.448 -12.465 46.425 -99.200 -91.000 TYR 81 0.840 16.303 -10.632 55.964 -99.200 -91.000 PHE 85 1.000 12.710 -7.807 58.521 -99.200 -91.000 HIS 94 0.900 5.993 6.062 61.619 -99.200 -91.000 PHE 95 1.000 9.066 10.898 56.570 -99.200 -91.000 PHE 113 1.000 4.323 -1.779 50.992 -99.200 -91.000 PHE 114 1.000 2.575 2.133 58.411 -99.200 -91.000 TRP 122 1.040 -1.099 7.454 65.823 -99.200 -91.000 TRP6 122 1.020 -1.728 9.429 64.711 -99.200 -91.000 HIS 127 0.900 3.657 0.182 62.946 -99.200 -91.000 PHE 130 1.000 10.280 0.158 54.277 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xo7B1 MET 1 HA -0.19 -0.04 0.17 -0.75 4.52 3.70 1xo7B1 MET 1 HB2 -0.11 -0.05 0.00 -0.04 2.15 1.96 1xo7B1 MET 1 HB3 -0.13 0.02 -0.16 -0.04 2.03 1.71 1xo7B1 MET 1 HG2 -0.21 0.05 -0.05 -0.04 2.63 2.38 1xo7B1 MET 1 HG3 -0.18 -0.03 -0.01 -0.04 2.56 2.30 1xo7B1 MET 1 HE3 -0.05 -0.01 -0.04 -0.04 2.10 1.96 1xo7B1 PRO 2 HA -0.30 -0.00 0.45 -0.51 4.44 4.08 1xo7B1 PRO 2 HB2 -2.15 -0.01 -0.14 -0.04 2.28 -0.06 1xo7B1 PRO 2 HB3 -1.01 -0.04 0.00 -0.04 2.02 0.94 1xo7B1 PRO 2 HG2 -0.61 0.03 0.00 -0.04 2.03 1.42 1xo7B1 PRO 2 HG3 -0.36 0.02 0.04 -0.04 2.03 1.70 1xo7B1 PRO 2 HD2 -0.41 0.09 0.10 -0.04 3.68 3.42 1xo7B1 PRO 2 HD3 -0.25 0.13 0.11 -0.04 3.65 3.60 1xo7B1 VAL 3 H -0.13 0.05 0.12 -0.55 8.24 7.73 1xo7B1 VAL 3 HA -0.03 0.15 0.55 -0.75 4.13 4.05 1xo7B1 VAL 3 HB -0.01 -0.12 0.10 -0.04 2.12 2.05 1xo7B1 VAL 3 HG13 0.02 0.01 -0.18 -0.04 0.97 0.77 1xo7B1 VAL 3 HG23 -0.04 0.04 -0.00 -0.04 0.95 0.90 1xo7B1 VAL 4 H 0.08 0.20 0.11 -0.55 8.24 8.08 1xo7B1 VAL 4 HA 0.23 0.15 0.55 -0.75 4.13 4.30 1xo7B1 VAL 4 HB 0.07 0.03 0.13 -0.04 2.12 2.31 1xo7B1 VAL 4 HG13 0.04 -0.04 -0.06 -0.04 0.97 0.87 1xo7B1 VAL 4 HG23 0.17 0.02 -0.13 -0.04 0.95 0.97 1xo7B1 THR 5 H 0.10 0.59 0.48 -0.55 8.28 8.90 1xo7B1 THR 5 HA 0.04 0.23 0.84 -0.75 4.39 4.74 1xo7B1 THR 5 HB 0.04 0.05 0.11 -0.04 4.32 4.48 1xo7B1 THR 5 HG23 0.06 0.05 -0.09 -0.04 1.22 1.20 1xo7B1 ASP 6 H 0.04 0.23 0.35 -0.55 8.40 8.48 1xo7B1 ASP 6 HA 0.03 0.17 0.63 -0.75 4.63 4.70 1xo7B1 ASP 6 HB2 0.04 -0.09 -0.08 -0.04 2.71 2.54 1xo7B1 ASP 6 HB3 0.04 0.03 0.00 -0.04 2.70 2.72 1xo7B1 LYS 7 H 0.03 0.21 0.21 -0.55 8.42 8.32 1xo7B1 LYS 7 HA -0.00 0.39 1.06 -0.75 4.32 5.01 1xo7B1 LYS 7 HB2 0.03 -0.06 0.09 -0.04 1.87 1.89 1xo7B1 LYS 7 HB3 0.02 0.04 -0.00 -0.04 1.79 1.81 1xo7B1 LYS 7 HG2 -0.00 0.01 -0.08 -0.04 1.46 1.35 1xo7B1 LYS 7 HG3 0.01 -0.06 -0.42 -0.04 1.46 0.95 1xo7B1 LYS 7 HD2 0.02 -0.01 -0.08 -0.04 1.69 1.58 1xo7B1 LYS 7 HD3 0.01 -0.01 -0.11 -0.04 1.68 1.54 1xo7B1 LYS 7 HE2 0.01 0.03 -0.08 -0.04 2.99 2.91 1xo7B1 LYS 7 HE3 0.01 -0.01 -0.12 -0.04 2.99 2.84 1xo7B1 VAL 8 H -0.02 0.64 0.36 -0.55 8.24 8.66 1xo7B1 VAL 8 HA -0.05 0.22 1.00 -0.75 4.13 4.54 1xo7B1 VAL 8 HB 0.06 -0.03 0.08 -0.04 2.12 2.18 1xo7B1 VAL 8 HG13 -0.50 0.00 -0.17 -0.04 0.97 0.26 1xo7B1 VAL 8 HG23 -0.02 -0.00 -0.13 -0.04 0.95 0.76 1xo7B1 TYR 9 H -0.24 0.58 0.29 -0.55 8.29 8.37 1xo7B1 TYR 9 HA -0.10 0.37 1.22 -0.75 4.56 5.29 1xo7B1 TYR 9 HB2 0.03 0.01 -0.03 -0.04 3.06 3.03 1xo7B1 TYR 9 HB3 -0.01 -0.05 -0.07 -0.04 2.98 2.81 1xo7B1 TYR 9 HD2 0.04 -0.04 -0.32 -0.04 7.15 6.78 1xo7B1 TYR 9 HE2 0.03 0.06 -0.39 -0.04 6.85 6.50 1xo7B1 PHE 10 H 0.15 0.67 0.35 -0.55 8.34 8.95 1xo7B1 PHE 10 HA 0.05 0.27 0.73 -0.75 4.62 4.92 1xo7B1 PHE 10 HB2 0.13 -0.09 0.16 -0.04 3.15 3.31 1xo7B1 PHE 10 HB3 0.16 0.03 -0.05 -0.04 3.06 3.15 1xo7B1 PHE 10 HD2 0.12 0.08 0.04 -0.04 7.28 7.47 1xo7B1 PHE 10 HE2 -0.03 -0.01 -0.10 -0.04 7.38 7.20 1xo7B1 PHE 10 HZ -0.77 -0.00 -0.11 -0.04 7.32 6.40 1xo7B1 ASP 11 H 0.28 0.70 0.21 -0.55 8.40 9.04 1xo7B1 ASP 11 HA 0.16 0.14 0.90 -0.75 4.63 5.08 1xo7B1 ASP 11 HB2 0.17 -0.06 0.15 -0.04 2.71 2.93 1xo7B1 ASP 11 HB3 0.11 0.03 -0.01 -0.04 2.70 2.79 1xo7B1 ILE 12 H 0.11 0.64 0.34 -0.55 8.25 8.79 1xo7B1 ILE 12 HA 0.11 0.33 0.89 -0.75 4.18 4.76 1xo7B1 ILE 12 HB 0.06 -0.03 0.15 -0.04 1.89 2.03 1xo7B1 ILE 12 HG12 0.17 0.03 -0.09 -0.04 1.49 1.55 1xo7B1 ILE 12 HG13 0.05 -0.02 -0.11 -0.04 1.21 1.09 1xo7B1 ILE 12 HG23 0.02 0.00 -0.18 -0.04 0.93 0.73 1xo7B1 ILE 12 HD13 0.25 0.01 -0.26 -0.04 0.88 0.84 1xo7B1 THR 13 H 0.07 0.52 0.38 -0.55 8.28 8.70 1xo7B1 THR 13 HA 0.04 0.20 0.75 -0.75 4.39 4.62 1xo7B1 THR 13 HB 0.03 -0.06 -0.20 -0.04 4.32 4.06 1xo7B1 THR 13 HG23 0.04 -0.00 -0.29 -0.04 1.22 0.93 1xo7B1 ILE 14 H 0.02 0.63 0.17 -0.55 8.25 8.53 1xo7B1 ILE 14 HA 0.03 0.33 0.79 -0.75 4.18 4.58 1xo7B1 ILE 14 HB 0.01 0.02 0.09 -0.04 1.89 1.97 1xo7B1 ILE 14 HG12 0.01 0.06 -0.01 -0.04 1.49 1.51 1xo7B1 ILE 14 HG13 0.01 -0.09 -0.41 -0.04 1.21 0.67 1xo7B1 ILE 14 HG23 0.01 0.02 -0.16 -0.04 0.93 0.77 1xo7B1 ILE 14 HD13 -0.01 -0.00 -0.13 -0.04 0.88 0.70 1xo7B1 GLY 15 H 0.03 0.65 0.01 -0.55 8.43 8.57 1xo7B1 GLY 15 HA2 0.02 -0.02 0.31 -0.51 4.01 3.81 1xo7B1 GLY 15 HA3 0.01 0.07 0.43 -0.51 4.01 4.01 1xo7B1 ASP 16 H 0.02 0.09 -0.31 -0.55 8.40 7.66 1xo7B1 ASP 16 HA 0.02 -0.04 0.14 -0.75 4.63 4.00 1xo7B1 ASP 16 HB2 0.01 -0.04 -0.13 -0.04 2.71 2.51 1xo7B1 ASP 16 HB3 0.01 0.10 0.16 -0.04 2.70 2.92 1xo7B1 GLU 17 H 0.02 0.45 -0.44 -0.55 8.60 8.09 1xo7B1 GLU 17 HA 0.02 0.20 0.85 -0.75 4.29 4.60 1xo7B1 GLU 17 HB2 0.01 0.15 0.11 -0.04 2.09 2.33 1xo7B1 GLU 17 HB3 0.01 0.02 0.02 -0.04 1.99 2.01 1xo7B1 GLU 17 HG2 0.01 0.11 -0.16 -0.04 2.34 2.26 1xo7B1 GLU 17 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.27 1xo7B1 PRO 18 HA 0.03 0.05 0.46 -0.51 4.44 4.47 1xo7B1 PRO 18 HB2 0.02 0.01 -0.09 -0.04 2.28 2.18 1xo7B1 PRO 18 HB3 0.03 0.01 0.05 -0.04 2.02 2.07 1xo7B1 PRO 18 HG2 0.02 0.04 0.09 -0.04 2.03 2.13 1xo7B1 PRO 18 HG3 0.02 0.03 0.07 -0.04 2.03 2.10 1xo7B1 PRO 18 HD2 0.01 0.10 0.22 -0.04 3.68 3.98 1xo7B1 PRO 18 HD3 0.02 0.19 0.20 -0.04 3.65 4.02 1xo7B1 VAL 19 H 0.03 0.45 0.40 -0.55 8.24 8.57 1xo7B1 VAL 19 HA 0.02 0.19 0.89 -0.75 4.13 4.47 1xo7B1 VAL 19 HB 0.02 -0.02 0.03 -0.04 2.12 2.11 1xo7B1 VAL 19 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 1xo7B1 VAL 19 HG23 0.01 0.01 -0.20 -0.04 0.95 0.74 1xo7B1 GLY 20 H 0.04 0.31 0.33 -0.55 8.43 8.57 1xo7B1 GLY 20 HA2 0.04 0.05 0.22 -0.51 4.01 3.80 1xo7B1 GLY 20 HA3 0.03 0.16 0.82 -0.51 4.01 4.51 1xo7B1 ARG 21 H 0.04 0.17 0.17 -0.55 8.46 8.29 1xo7B1 ARG 21 HA 0.12 0.34 0.76 -0.75 4.34 4.81 1xo7B1 ARG 21 HB2 0.06 -0.01 -0.03 -0.04 1.90 1.87 1xo7B1 ARG 21 HB3 0.04 -0.04 0.12 -0.04 1.80 1.87 1xo7B1 ARG 21 HG2 0.07 -0.07 -0.39 -0.04 1.67 1.24 1xo7B1 ARG 21 HG3 0.16 0.09 -0.13 -0.04 1.67 1.75 1xo7B1 ARG 21 HD2 -0.02 -0.01 -0.09 -0.04 3.22 3.06 1xo7B1 ARG 21 HD3 -0.01 -0.01 -0.14 -0.04 3.22 3.01 1xo7B1 VAL 22 H 0.16 0.67 0.41 -0.55 8.24 8.92 1xo7B1 VAL 22 HA 0.05 0.19 0.85 -0.75 4.13 4.46 1xo7B1 VAL 22 HB 0.20 -0.02 0.17 -0.04 2.12 2.42 1xo7B1 VAL 22 HG13 0.03 -0.00 -0.19 -0.04 0.97 0.76 1xo7B1 VAL 22 HG23 0.07 0.03 -0.02 -0.04 0.95 0.99 1xo7B1 VAL 23 H 0.01 0.58 0.19 -0.55 8.24 8.48 1xo7B1 VAL 23 HA -0.01 0.36 1.11 -0.75 4.13 4.83 1xo7B1 VAL 23 HB 0.00 -0.12 0.11 -0.04 2.12 2.07 1xo7B1 VAL 23 HG13 0.01 0.01 -0.16 -0.04 0.97 0.78 1xo7B1 VAL 23 HG23 0.04 0.01 -0.20 -0.04 0.95 0.76 1xo7B1 ILE 24 H -0.11 0.80 0.33 -0.55 8.25 8.72 1xo7B1 ILE 24 HA -0.13 0.18 0.80 -0.75 4.18 4.27 1xo7B1 ILE 24 HB -0.15 -0.03 0.07 -0.04 1.89 1.74 1xo7B1 ILE 24 HG12 -0.15 0.02 -0.19 -0.04 1.49 1.13 1xo7B1 ILE 24 HG13 -0.18 -0.07 -0.37 -0.04 1.21 0.56 1xo7B1 ILE 24 HG23 -0.37 -0.01 -0.27 -0.04 0.93 0.24 1xo7B1 ILE 24 HD13 -0.25 0.00 -0.16 -0.04 0.88 0.43 1xo7B1 GLY 25 H -0.11 0.65 0.35 -0.55 8.43 8.77 1xo7B1 GLY 25 HA2 -0.05 0.16 0.87 -0.51 4.01 4.48 1xo7B1 GLY 25 HA3 -0.05 0.04 0.37 -0.51 4.01 3.86 1xo7B1 LEU 26 H -0.04 0.58 0.45 -0.55 8.37 8.81 1xo7B1 LEU 26 HA -0.37 0.26 0.92 -0.75 4.35 4.41 1xo7B1 LEU 26 HB2 0.02 -0.10 0.07 -0.04 1.64 1.59 1xo7B1 LEU 26 HB3 0.03 0.02 0.00 -0.04 1.64 1.65 1xo7B1 LEU 26 HG -0.06 0.05 -0.32 -0.04 1.64 1.28 1xo7B1 LEU 26 HD13 0.16 -0.02 -0.20 -0.04 0.93 0.82 1xo7B1 LEU 26 HD23 -0.11 0.02 -0.16 -0.04 0.89 0.59 1xo7B1 PHE 27 H -0.20 0.75 0.24 -0.55 8.34 8.58 1xo7B1 PHE 27 HA 0.01 0.41 0.62 -0.75 4.62 4.92 1xo7B1 PHE 27 HB2 0.04 0.03 0.17 -0.04 3.15 3.35 1xo7B1 PHE 27 HB3 0.02 -0.07 0.09 -0.04 3.06 3.06 1xo7B1 PHE 27 HD2 -0.00 0.06 -0.48 -0.04 7.28 6.82 1xo7B1 PHE 27 HE2 0.04 0.04 -0.26 -0.04 7.38 7.16 1xo7B1 PHE 27 HZ 0.08 0.05 -0.27 -0.04 7.32 7.14 1xo7B1 GLY 28 H 0.13 0.31 0.13 -0.55 8.43 8.45 1xo7B1 GLY 28 HA2 0.10 0.06 -0.04 -0.51 4.01 3.62 1xo7B1 GLY 28 HA3 0.08 0.09 0.22 -0.51 4.01 3.88 1xo7B1 ASN 29 H 0.09 0.14 -0.14 -0.55 8.53 8.07 1xo7B1 ASN 29 HA 0.04 0.21 0.84 -0.75 4.76 5.10 1xo7B1 ASN 29 HB2 0.03 -0.01 0.04 -0.04 2.88 2.90 1xo7B1 ASN 29 HB3 0.02 0.05 0.09 -0.04 2.79 2.91 1xo7B1 ASN 29 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 1xo7B1 ASN 29 HD22 0.01 0.02 -0.00 -0.04 7.74 7.73 1xo7B1 ASP 30 H 0.11 0.24 -0.25 -0.55 8.40 7.94 1xo7B1 ASP 30 HA 0.03 0.24 0.95 -0.75 4.63 5.10 1xo7B1 ASP 30 HB2 0.13 0.06 0.12 -0.04 2.71 2.97 1xo7B1 ASP 30 HB3 0.05 -0.01 0.01 -0.04 2.70 2.70 1xo7B1 VAL 31 H 0.13 0.50 0.06 -0.55 8.24 8.38 1xo7B1 VAL 31 HA 0.09 0.23 0.84 -0.75 4.13 4.53 1xo7B1 VAL 31 HB 0.13 -0.20 0.17 -0.04 2.12 2.18 1xo7B1 VAL 31 HG13 0.11 0.03 -0.13 -0.04 0.97 0.94 1xo7B1 VAL 31 HG23 0.22 0.02 0.12 -0.04 0.95 1.27 1xo7B1 PRO 32 HA 0.06 0.04 0.38 -0.51 4.44 4.42 1xo7B1 PRO 32 HB2 0.03 -0.01 -0.00 -0.04 2.28 2.26 1xo7B1 PRO 32 HB3 0.04 0.25 0.16 -0.04 2.02 2.43 1xo7B1 PRO 32 HG2 0.03 -0.06 0.06 -0.04 2.03 2.01 1xo7B1 PRO 32 HG3 0.03 0.11 0.01 -0.04 2.03 2.14 1xo7B1 PRO 32 HD2 0.05 0.22 -0.13 -0.04 3.68 3.78 1xo7B1 PRO 32 HD3 0.05 0.15 -0.54 -0.04 3.65 3.28 1xo7B1 LYS 33 H 0.04 0.18 -0.16 -0.55 8.42 7.93 1xo7B1 LYS 33 HA 0.04 0.11 0.43 -0.75 4.32 4.15 1xo7B1 LYS 33 HB2 -0.05 0.05 0.08 -0.04 1.87 1.91 1xo7B1 LYS 33 HB3 0.03 -0.01 0.02 -0.04 1.79 1.80 1xo7B1 LYS 33 HG2 -0.55 -0.02 -0.10 -0.04 1.46 0.75 1xo7B1 LYS 33 HG3 -0.48 0.02 0.03 -0.04 1.46 0.99 1xo7B1 LYS 33 HD2 -0.18 0.03 -0.01 -0.04 1.69 1.49 1xo7B1 LYS 33 HD3 -0.04 0.01 -0.05 -0.04 1.68 1.57 1xo7B1 LYS 33 HE2 -1.13 -0.01 -0.03 -0.04 2.99 1.77 1xo7B1 LYS 33 HE3 -0.57 0.04 -0.01 -0.04 2.99 2.41 1xo7B1 THR 34 H 0.11 0.13 -0.28 -0.55 8.28 7.70 1xo7B1 THR 34 HA 0.23 0.09 0.42 -0.75 4.39 4.38 1xo7B1 THR 34 HB 0.09 0.11 0.12 -0.04 4.32 4.60 1xo7B1 THR 34 HG23 -0.19 0.01 -0.06 -0.04 1.22 0.94 1xo7B1 VAL 35 H 0.07 0.65 -0.05 -0.55 8.24 8.35 1xo7B1 VAL 35 HA 0.05 0.02 0.38 -0.75 4.13 3.82 1xo7B1 VAL 35 HB 0.08 0.13 0.06 -0.04 2.12 2.34 1xo7B1 VAL 35 HG13 0.08 -0.02 -0.17 -0.04 0.97 0.82 1xo7B1 VAL 35 HG23 0.13 -0.03 -0.19 -0.04 0.95 0.82 1xo7B1 GLU 36 H 0.05 0.58 -0.18 -0.55 8.60 8.51 1xo7B1 GLU 36 HA 0.01 0.00 0.37 -0.75 4.29 3.91 1xo7B1 GLU 36 HB2 0.04 0.06 0.13 -0.04 2.09 2.28 1xo7B1 GLU 36 HB3 0.09 0.08 0.16 -0.04 1.99 2.28 1xo7B1 GLU 36 HG2 -0.07 -0.02 -0.23 -0.04 2.34 1.98 1xo7B1 GLU 36 HG3 -0.03 -0.04 0.03 -0.04 2.34 2.26 1xo7B1 ASN 37 H -0.01 0.50 -0.18 -0.55 8.53 8.30 1xo7B1 ASN 37 HA -0.25 -0.03 0.48 -0.75 4.76 4.21 1xo7B1 ASN 37 HB2 -0.25 0.03 0.15 -0.04 2.88 2.77 1xo7B1 ASN 37 HB3 0.01 0.17 0.17 -0.04 2.79 3.09 1xo7B1 ASN 37 HD21 0.28 0.33 0.13 -0.04 7.03 7.73 1xo7B1 ASN 37 HD22 0.27 -0.01 -0.01 -0.04 7.74 7.95 1xo7B1 PHE 38 H 0.10 0.51 -0.12 -0.55 8.34 8.27 1xo7B1 PHE 38 HA 0.07 0.02 0.40 -0.75 4.62 4.35 1xo7B1 PHE 38 HB2 -0.31 0.09 0.07 -0.04 3.15 2.96 1xo7B1 PHE 38 HB3 -0.05 0.05 0.09 -0.04 3.06 3.10 1xo7B1 PHE 38 HD2 0.05 0.03 -0.13 -0.04 7.28 7.19 1xo7B1 PHE 38 HE2 -0.72 -0.01 -0.12 -0.04 7.38 6.50 1xo7B1 PHE 38 HZ -0.52 -0.01 -0.14 -0.04 7.32 6.61 1xo7B1 LYS 39 H 0.09 0.76 -0.08 -0.55 8.42 8.63 1xo7B1 LYS 39 HA -0.05 -0.01 0.44 -0.75 4.32 3.95 1xo7B1 LYS 39 HB2 -0.01 0.12 0.13 -0.04 1.87 2.07 1xo7B1 LYS 39 HB3 -0.03 -0.05 -0.01 -0.04 1.79 1.65 1xo7B1 LYS 39 HG2 0.05 -0.07 -0.04 -0.04 1.46 1.36 1xo7B1 LYS 39 HG3 0.11 0.10 -0.00 -0.04 1.46 1.62 1xo7B1 LYS 39 HD2 0.04 -0.08 -0.09 -0.04 1.69 1.52 1xo7B1 LYS 39 HD3 0.03 0.03 -0.12 -0.04 1.68 1.58 1xo7B1 LYS 39 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 1xo7B1 LYS 39 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.90 1xo7B1 GLN 40 H -0.13 0.62 -0.09 -0.55 8.47 8.33 1xo7B1 GLN 40 HA -0.18 -0.01 0.48 -0.75 4.36 3.89 1xo7B1 GLN 40 HB2 -0.23 0.13 0.18 -0.04 2.15 2.20 1xo7B1 GLN 40 HB3 -0.27 -0.08 0.07 -0.04 2.02 1.70 1xo7B1 GLN 40 HG2 -0.14 -0.05 0.05 -0.04 2.40 2.21 1xo7B1 GLN 40 HG3 -0.12 0.10 0.08 -0.04 2.39 2.41 1xo7B1 GLN 40 HE21 -0.09 0.01 -0.02 -0.04 6.97 6.83 1xo7B1 GLN 40 HE22 -0.08 -0.02 -0.00 -0.04 7.69 7.55 1xo7B1 LEU 41 H -0.28 0.56 -0.09 -0.55 8.37 8.02 1xo7B1 LEU 41 HA -0.52 0.14 0.70 -0.75 4.35 3.92 1xo7B1 LEU 41 HB2 -0.73 0.12 0.16 -0.04 1.64 1.15 1xo7B1 LEU 41 HB3 -1.34 -0.13 0.09 -0.04 1.64 0.21 1xo7B1 LEU 41 HG -0.23 0.15 0.11 -0.04 1.64 1.62 1xo7B1 LEU 41 HD13 0.01 -0.00 0.05 -0.04 0.93 0.94 1xo7B1 LEU 41 HD23 -0.17 -0.01 -0.07 -0.04 0.89 0.60 1xo7B1 ALA 42 H -0.29 0.56 -0.14 -0.55 8.40 7.98 1xo7B1 ALA 42 HA 0.01 -0.03 0.55 -0.75 4.34 4.11 1xo7B1 ALA 42 HB3 -0.20 0.02 0.08 -0.04 1.41 1.28 1xo7B1 SER 43 H -0.19 0.37 -0.14 -0.55 8.46 7.96 1xo7B1 SER 43 HA -0.11 0.14 0.61 -0.75 4.49 4.37 1xo7B1 SER 43 HB2 -0.09 0.02 0.13 -0.04 3.95 3.96 1xo7B1 SER 43 HB3 -0.10 -0.02 0.14 -0.04 3.93 3.91 1xo7B1 GLY 44 H -0.27 0.30 -0.16 -0.55 8.43 7.76 1xo7B1 GLY 44 HA2 -0.35 0.31 0.29 -0.51 4.01 3.75 1xo7B1 GLY 44 HA3 -0.20 0.07 0.31 -0.51 4.01 3.68 1xo7B1 GLU 45 H -0.23 0.12 -0.08 -0.55 8.60 7.86 1xo7B1 GLU 45 HA -0.16 0.11 0.34 -0.75 4.29 3.83 1xo7B1 GLU 45 HB2 -0.22 -0.04 0.06 -0.04 2.09 1.86 1xo7B1 GLU 45 HB3 -0.15 0.02 0.02 -0.04 1.99 1.84 1xo7B1 GLU 45 HG2 -0.11 0.04 0.04 -0.04 2.34 2.27 1xo7B1 GLU 45 HG3 -0.15 -0.05 0.04 -0.04 2.34 2.15 1xo7B1 ASN 46 H -0.52 0.13 -0.25 -0.55 8.53 7.34 1xo7B1 ASN 46 HA -0.25 0.18 0.71 -0.75 4.76 4.65 1xo7B1 ASN 46 HB2 -1.41 -0.01 -0.00 -0.04 2.88 1.42 1xo7B1 ASN 46 HB3 -0.36 0.03 0.14 -0.04 2.79 2.57 1xo7B1 ASN 46 HD21 -0.29 -0.02 -0.01 -0.04 7.03 6.66 1xo7B1 ASN 46 HD22 -0.55 0.02 -0.05 -0.04 7.74 7.11 1xo7B1 GLY 47 H -0.27 0.55 -0.37 -0.55 8.43 7.80 1xo7B1 GLY 47 HA2 -0.09 0.03 0.30 -0.51 4.01 3.74 1xo7B1 GLY 47 HA3 -0.04 0.13 0.77 -0.51 4.01 4.36 1xo7B1 PHE 48 H -0.65 0.12 -0.20 -0.55 8.34 7.05 1xo7B1 PHE 48 HA -0.21 0.20 0.62 -0.75 4.62 4.48 1xo7B1 PHE 48 HB2 -0.33 -0.06 0.03 -0.04 3.15 2.75 1xo7B1 PHE 48 HB3 -0.07 0.13 -0.18 -0.04 3.06 2.90 1xo7B1 PHE 48 HD2 -0.35 0.04 -0.32 -0.04 7.28 6.60 1xo7B1 PHE 48 HE2 -0.05 0.02 -0.19 -0.04 7.38 7.12 1xo7B1 PHE 48 HZ -0.08 0.01 -0.11 -0.04 7.32 7.11 1xo7B1 GLY 49 H -0.67 0.31 0.18 -0.55 8.43 7.70 1xo7B1 GLY 49 HA2 -1.15 -0.05 0.37 -0.51 4.01 2.68 1xo7B1 GLY 49 HA3 -0.57 0.28 0.80 -0.51 4.01 4.02 1xo7B1 TYR 50 H -0.31 0.59 0.16 -0.55 8.29 8.18 1xo7B1 TYR 50 HA -0.01 -0.02 -0.05 -0.75 4.56 3.73 1xo7B1 TYR 50 HB2 -0.12 0.08 -0.01 -0.04 3.06 2.97 1xo7B1 TYR 50 HB3 -0.20 -0.06 -0.03 -0.04 2.98 2.64 1xo7B1 TYR 50 HD2 -0.01 -0.03 -0.11 -0.04 7.15 6.96 1xo7B1 TYR 50 HE2 -0.29 0.09 0.07 -0.04 6.85 6.67 1xo7B1 LYS 51 H -0.04 0.10 -0.20 -0.55 8.42 7.72 1xo7B1 LYS 51 HA 0.03 0.01 0.29 -0.75 4.32 3.90 1xo7B1 LYS 51 HB2 -0.01 0.00 0.07 -0.04 1.87 1.89 1xo7B1 LYS 51 HB3 -0.01 0.00 0.03 -0.04 1.79 1.77 1xo7B1 LYS 51 HG2 0.03 0.03 -0.13 -0.04 1.46 1.35 1xo7B1 LYS 51 HG3 0.04 0.07 0.05 -0.04 1.46 1.58 1xo7B1 LYS 51 HD2 0.01 -0.01 0.04 -0.04 1.69 1.69 1xo7B1 LYS 51 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 1xo7B1 LYS 51 HE2 0.03 -0.03 0.04 -0.04 2.99 2.99 1xo7B1 LYS 51 HE3 0.04 0.25 0.19 -0.04 2.99 3.43 1xo7B1 GLY 52 H 0.06 0.71 0.32 -0.55 8.43 8.97 1xo7B1 GLY 52 HA2 0.07 -0.03 0.32 -0.51 4.01 3.86 1xo7B1 GLY 52 HA3 0.11 0.05 0.38 -0.51 4.01 4.04 1xo7B1 SER 53 H 0.12 0.52 -0.12 -0.55 8.46 8.43 1xo7B1 SER 53 HA 0.43 0.16 0.66 -0.75 4.49 4.99 1xo7B1 SER 53 HB2 0.11 -0.18 -0.07 -0.04 3.95 3.77 1xo7B1 SER 53 HB3 0.22 0.10 -0.11 -0.04 3.93 4.10 1xo7B1 ILE 54 H 0.15 0.09 0.15 -0.55 8.25 8.09 1xo7B1 ILE 54 HA 0.09 0.29 1.08 -0.75 4.18 4.88 1xo7B1 ILE 54 HB 0.12 0.05 0.02 -0.04 1.89 2.04 1xo7B1 ILE 54 HG12 0.23 -0.02 0.01 -0.04 1.49 1.68 1xo7B1 ILE 54 HG13 0.16 -0.15 -0.27 -0.04 1.21 0.90 1xo7B1 ILE 54 HG23 0.11 0.00 -0.28 -0.04 0.93 0.72 1xo7B1 ILE 54 HD13 0.13 0.07 -0.08 -0.04 0.88 0.96 1xo7B1 PHE 55 H 0.28 0.59 0.28 -0.55 8.34 8.94 1xo7B1 PHE 55 HA -0.10 0.09 0.93 -0.75 4.62 4.78 1xo7B1 PHE 55 HB2 -0.03 0.02 0.22 -0.04 3.15 3.32 1xo7B1 PHE 55 HB3 -0.09 0.05 0.04 -0.04 3.06 3.03 1xo7B1 PHE 55 HD2 -0.08 0.05 -0.28 -0.04 7.28 6.93 1xo7B1 PHE 55 HE2 -0.00 0.01 -0.20 -0.04 7.38 7.14 1xo7B1 PHE 55 HZ 0.36 -0.02 -0.15 -0.04 7.32 7.47 1xo7B1 HIS 56 H -0.21 0.20 0.21 -0.55 8.41 8.06 1xo7B1 HIS 56 HA 0.04 0.12 0.31 -0.75 4.63 4.35 1xo7B1 HIS 56 HB2 0.02 0.09 0.01 -0.04 3.26 3.34 1xo7B1 HIS 56 HB3 0.01 -0.07 -0.12 -0.04 3.20 2.97 1xo7B1 HIS 56 HD2 -0.01 0.13 -0.30 -0.04 6.97 6.75 1xo7B1 HIS 56 HE1 -0.10 -0.00 -0.14 -0.04 7.75 7.47 1xo7B1 ARG 57 H -0.38 0.26 0.00 -0.55 8.46 7.79 1xo7B1 ARG 57 HA -0.06 0.44 0.84 -0.75 4.34 4.81 1xo7B1 ARG 57 HB2 -0.17 0.06 -0.12 -0.04 1.90 1.63 1xo7B1 ARG 57 HB3 -0.41 -0.15 0.06 -0.04 1.80 1.26 1xo7B1 ARG 57 HG2 -0.12 -0.12 -0.25 -0.04 1.67 1.14 1xo7B1 ARG 57 HG3 -0.05 0.11 -0.15 -0.04 1.67 1.54 1xo7B1 ARG 57 HD2 0.00 0.00 -0.09 -0.04 3.22 3.09 1xo7B1 ARG 57 HD3 0.01 0.05 -0.07 -0.04 3.22 3.17 1xo7B1 VAL 58 H -0.01 0.74 0.25 -0.55 8.24 8.66 1xo7B1 VAL 58 HA -0.03 0.05 1.02 -0.75 4.13 4.42 1xo7B1 VAL 58 HB 0.00 0.06 0.05 -0.04 2.12 2.19 1xo7B1 VAL 58 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 1xo7B1 VAL 58 HG23 -0.00 -0.02 -0.19 -0.04 0.95 0.70 1xo7B1 ILE 59 H -0.02 0.62 0.27 -0.55 8.25 8.58 1xo7B1 ILE 59 HA 0.06 0.10 0.71 -0.75 4.18 4.30 1xo7B1 ILE 59 HB 0.16 -0.10 0.16 -0.04 1.89 2.06 1xo7B1 ILE 59 HG12 0.08 0.04 -0.00 -0.04 1.49 1.57 1xo7B1 ILE 59 HG13 0.03 -0.04 -0.46 -0.04 1.21 0.71 1xo7B1 ILE 59 HG23 0.20 0.02 -0.11 -0.04 0.93 1.00 1xo7B1 ILE 59 HD13 0.15 -0.01 -0.09 -0.04 0.88 0.89 1xo7B1 ARG 60 H 0.04 0.18 0.05 -0.55 8.46 8.19 1xo7B1 ARG 60 HA 0.04 0.03 0.32 -0.75 4.34 3.97 1xo7B1 ARG 60 HB2 0.02 0.26 0.12 -0.04 1.90 2.26 1xo7B1 ARG 60 HB3 0.03 -0.05 0.09 -0.04 1.80 1.84 1xo7B1 ARG 60 HG2 0.03 -0.03 -0.21 -0.04 1.67 1.42 1xo7B1 ARG 60 HG3 0.03 -0.08 -0.02 -0.04 1.67 1.56 1xo7B1 ARG 60 HD2 0.02 -0.05 -0.05 -0.04 3.22 3.10 1xo7B1 ARG 60 HD3 0.02 0.12 -0.01 -0.04 3.22 3.30 1xo7B1 ASN 61 H 0.06 0.12 0.13 -0.55 8.53 8.29 1xo7B1 ASN 61 HA 0.09 0.01 0.25 -0.75 4.76 4.36 1xo7B1 ASN 61 HB2 0.07 0.18 0.09 -0.04 2.88 3.17 1xo7B1 ASN 61 HB3 0.07 -0.02 0.18 -0.04 2.79 2.98 1xo7B1 ASN 61 HD21 0.03 0.00 -0.01 -0.04 7.03 7.02 1xo7B1 ASN 61 HD22 0.05 0.03 0.05 -0.04 7.74 7.83 1xo7B1 PHE 62 H 0.17 0.32 -0.19 -0.55 8.34 8.09 1xo7B1 PHE 62 HA 0.07 0.10 0.42 -0.75 4.62 4.46 1xo7B1 PHE 62 HB2 0.07 0.09 -0.13 -0.04 3.15 3.14 1xo7B1 PHE 62 HB3 0.02 0.05 0.05 -0.04 3.06 3.14 1xo7B1 PHE 62 HD2 0.04 -0.00 -0.05 -0.04 7.28 7.23 1xo7B1 PHE 62 HE2 -0.04 -0.03 -0.09 -0.04 7.38 7.18 1xo7B1 PHE 62 HZ 0.06 -0.01 -0.10 -0.04 7.32 7.22 1xo7B1 MET 63 H -0.04 0.55 0.31 -0.55 8.47 8.74 1xo7B1 MET 63 HA -0.09 0.12 0.73 -0.75 4.52 4.52 1xo7B1 MET 63 HB2 -0.16 0.01 -0.09 -0.04 2.15 1.87 1xo7B1 MET 63 HB3 -0.50 0.07 -0.23 -0.04 2.03 1.32 1xo7B1 MET 63 HG2 -1.65 0.01 -0.25 -0.04 2.63 0.70 1xo7B1 MET 63 HG3 -1.02 -0.08 -0.14 -0.04 2.56 1.27 1xo7B1 MET 63 HE3 -0.91 -0.00 -0.21 -0.04 2.10 0.94 1xo7B1 ILE 64 H -0.01 0.50 0.36 -0.55 8.25 8.56 1xo7B1 ILE 64 HA -0.04 0.27 1.14 -0.75 4.18 4.80 1xo7B1 ILE 64 HB -0.04 0.07 0.09 -0.04 1.89 1.97 1xo7B1 ILE 64 HG12 -0.06 0.03 0.08 -0.04 1.49 1.50 1xo7B1 ILE 64 HG13 0.07 -0.11 0.05 -0.04 1.21 1.19 1xo7B1 ILE 64 HG23 -0.08 -0.00 -0.16 -0.04 0.93 0.65 1xo7B1 ILE 64 HD13 -0.67 0.00 -0.05 -0.04 0.88 0.12 1xo7B1 GLN 65 H -0.02 0.80 0.37 -0.55 8.47 9.08 1xo7B1 GLN 65 HA -0.07 0.24 1.21 -0.75 4.36 4.99 1xo7B1 GLN 65 HB2 -0.12 -0.03 -0.16 -0.04 2.15 1.80 1xo7B1 GLN 65 HB3 -0.26 0.02 0.07 -0.04 2.02 1.81 1xo7B1 GLN 65 HG2 -0.18 -0.07 -0.17 -0.04 2.40 1.95 1xo7B1 GLN 65 HG3 -0.05 0.11 0.01 -0.04 2.39 2.42 1xo7B1 GLN 65 HE21 0.08 0.05 -0.06 -0.04 6.97 7.00 1xo7B1 GLN 65 HE22 0.14 -0.04 -0.06 -0.04 7.69 7.68 1xo7B1 GLY 66 H -0.69 0.67 0.42 -0.55 8.43 8.29 1xo7B1 GLY 66 HA2 -0.46 0.17 1.10 -0.51 4.01 4.30 1xo7B1 GLY 66 HA3 -1.35 0.05 0.25 -0.51 4.01 2.45 1xo7B1 GLY 67 H -0.33 0.29 0.13 -0.55 8.43 7.97 1xo7B1 GLY 67 HA2 0.30 0.07 0.26 -0.51 4.01 4.13 1xo7B1 GLY 67 HA3 0.24 0.27 0.59 -0.51 4.01 4.59 1xo7B1 ASP 68 H -0.05 0.16 -0.20 -0.55 8.40 7.76 1xo7B1 ASP 68 HA -0.27 0.17 0.65 -0.75 4.63 4.43 1xo7B1 ASP 68 HB2 -0.24 0.24 -0.07 -0.04 2.71 2.60 1xo7B1 ASP 68 HB3 -0.28 0.07 0.12 -0.04 2.70 2.57 1xo7B1 PHE 69 H -0.71 0.32 0.10 -0.55 8.34 7.50 1xo7B1 PHE 69 HA -0.60 0.18 0.37 -0.75 4.62 3.81 1xo7B1 PHE 69 HB2 -0.08 0.19 0.13 -0.04 3.15 3.35 1xo7B1 PHE 69 HB3 -0.01 -0.01 -0.13 -0.04 3.06 2.86 1xo7B1 PHE 69 HD2 -0.03 0.07 -0.14 -0.04 7.28 7.13 1xo7B1 PHE 69 HE2 -0.20 0.07 -0.02 -0.04 7.38 7.20 1xo7B1 PHE 69 HZ -0.08 0.15 -0.05 -0.04 7.32 7.30 1xo7B1 THR 70 H -0.69 -0.22 -0.21 -0.55 8.28 6.62 1xo7B1 THR 70 HA -0.21 0.38 0.96 -0.75 4.39 4.77 1xo7B1 THR 70 HB -0.21 0.15 0.03 -0.04 4.32 4.25 1xo7B1 THR 70 HG23 -0.55 0.03 -0.07 -0.04 1.22 0.59 1xo7B1 ASN 71 H -0.41 -0.25 0.00 -0.55 8.53 7.32 1xo7B1 ASN 71 HA -0.00 0.36 0.82 -0.75 4.76 5.18 1xo7B1 ASN 71 HB2 -0.16 -0.29 0.01 -0.04 2.88 2.40 1xo7B1 ASN 71 HB3 -0.06 0.11 0.01 -0.04 2.79 2.81 1xo7B1 ASN 71 HD21 -0.08 0.11 -0.14 -0.04 7.03 6.88 1xo7B1 ASN 71 HD22 -0.10 -0.09 -0.25 -0.04 7.74 7.27 1xo7B1 PHE 72 H -0.48 -0.02 0.02 -0.55 8.34 7.31 1xo7B1 PHE 72 HA -0.06 0.13 0.37 -0.75 4.62 4.30 1xo7B1 PHE 72 HB2 -0.02 0.19 -0.04 -0.04 3.15 3.24 1xo7B1 PHE 72 HB3 -0.01 -0.01 0.17 -0.04 3.06 3.17 1xo7B1 PHE 72 HD2 0.01 -0.04 -0.20 -0.04 7.28 7.00 1xo7B1 PHE 72 HE2 0.04 0.09 -0.15 -0.04 7.38 7.32 1xo7B1 PHE 72 HZ 0.07 0.07 -0.04 -0.04 7.32 7.38 1xo7B1 ASP 73 H -0.21 -0.39 -0.01 -0.55 8.40 7.24 1xo7B1 ASP 73 HA -0.07 0.29 0.79 -0.75 4.63 4.89 1xo7B1 ASP 73 HB2 -0.02 0.05 0.07 -0.04 2.71 2.76 1xo7B1 ASP 73 HB3 0.01 0.20 -0.31 -0.04 2.70 2.56 1xo7B1 GLY 74 H -0.46 -0.23 0.09 -0.55 8.43 7.27 1xo7B1 GLY 74 HA2 -0.59 0.00 0.26 -0.51 4.01 3.17 1xo7B1 GLY 74 HA3 -0.32 0.35 0.81 -0.51 4.01 4.34 1xo7B1 THR 75 H -0.17 -0.07 -0.16 -0.55 8.28 7.33 1xo7B1 THR 75 HA -0.07 0.28 0.46 -0.75 4.39 4.30 1xo7B1 THR 75 HB -0.06 0.05 0.09 -0.04 4.32 4.36 1xo7B1 THR 75 HG23 -0.05 0.03 -0.12 -0.04 1.22 1.04 1xo7B1 GLY 76 H -0.20 -0.22 -0.16 -0.55 8.43 7.31 1xo7B1 GLY 76 HA2 -0.16 0.40 0.55 -0.51 4.01 4.30 1xo7B1 GLY 76 HA3 -0.23 -0.22 0.27 -0.51 4.01 3.31 1xo7B1 GLY 77 H -0.43 -0.00 0.13 -0.55 8.43 7.58 1xo7B1 GLY 77 HA2 -0.98 -0.05 0.45 -0.51 4.01 2.92 1xo7B1 GLY 77 HA3 -0.32 0.15 0.80 -0.51 4.01 4.12 1xo7B1 LYS 78 H -0.29 0.30 0.18 -0.55 8.42 8.05 1xo7B1 LYS 78 HA -0.02 0.27 0.58 -0.75 4.32 4.39 1xo7B1 LYS 78 HB2 -0.07 0.14 -0.00 -0.04 1.87 1.89 1xo7B1 LYS 78 HB3 -0.15 0.06 -0.03 -0.04 1.79 1.63 1xo7B1 LYS 78 HG2 -0.31 -0.18 -0.18 -0.04 1.46 0.74 1xo7B1 LYS 78 HG3 -0.07 0.02 -0.19 -0.04 1.46 1.19 1xo7B1 LYS 78 HD2 -0.32 0.09 -0.15 -0.04 1.69 1.26 1xo7B1 LYS 78 HD3 -0.26 -0.02 -0.11 -0.04 1.68 1.24 1xo7B1 LYS 78 HE2 -0.53 -0.06 -0.11 -0.04 2.99 2.25 1xo7B1 LYS 78 HE3 -2.22 0.01 -0.15 -0.04 2.99 0.58 1xo7B1 SER 79 H 0.13 0.52 0.18 -0.55 8.46 8.74 1xo7B1 SER 79 HA 0.15 0.19 0.73 -0.75 4.49 4.81 1xo7B1 SER 79 HB2 -0.02 -0.11 0.10 -0.04 3.95 3.88 1xo7B1 SER 79 HB3 0.47 0.16 0.04 -0.04 3.93 4.56 1xo7B1 ILE 80 H -0.29 0.15 0.12 -0.55 8.25 7.67 1xo7B1 ILE 80 HA 0.08 0.16 0.45 -0.75 4.18 4.12 1xo7B1 ILE 80 HB -0.29 0.03 0.10 -0.04 1.89 1.70 1xo7B1 ILE 80 HG12 -1.03 -0.07 0.06 -0.04 1.49 0.41 1xo7B1 ILE 80 HG13 -1.51 0.06 -0.33 -0.04 1.21 -0.61 1xo7B1 ILE 80 HG23 -0.24 0.01 0.03 -0.04 0.93 0.68 1xo7B1 ILE 80 HD13 -0.43 0.01 -0.11 -0.04 0.88 0.31 1xo7B1 TYR 81 H -0.17 0.04 -0.50 -0.55 8.29 7.11 1xo7B1 TYR 81 HA -0.02 0.17 0.60 -0.75 4.56 4.56 1xo7B1 TYR 81 HB2 -0.03 0.06 -0.21 -0.04 3.06 2.84 1xo7B1 TYR 81 HB3 -0.03 0.01 0.03 -0.04 2.98 2.95 1xo7B1 TYR 81 HD2 -0.47 0.06 -0.08 -0.04 7.15 6.62 1xo7B1 TYR 81 HE2 -0.57 0.04 -0.04 -0.04 6.85 6.24 1xo7B1 GLY 82 H 0.08 0.32 -0.23 -0.55 8.43 8.04 1xo7B1 GLY 82 HA2 0.05 0.04 0.30 -0.51 4.01 3.90 1xo7B1 GLY 82 HA3 0.10 0.16 0.50 -0.51 4.01 4.27 1xo7B1 THR 83 H 0.04 0.16 0.13 -0.55 8.28 8.06 1xo7B1 THR 83 HA 0.01 0.03 0.53 -0.75 4.39 4.20 1xo7B1 THR 83 HB 0.03 -0.00 0.09 -0.04 4.32 4.40 1xo7B1 THR 83 HG23 -0.01 0.01 -0.03 -0.04 1.22 1.15 1xo7B1 ARG 84 H 0.10 0.12 -0.13 -0.55 8.46 8.00 1xo7B1 ARG 84 HA 0.16 0.47 0.83 -0.75 4.34 5.05 1xo7B1 ARG 84 HB2 0.05 -0.03 -0.08 -0.04 1.90 1.81 1xo7B1 ARG 84 HB3 0.02 -0.01 -0.11 -0.04 1.80 1.66 1xo7B1 ARG 84 HG2 0.04 0.21 -0.53 -0.04 1.67 1.34 1xo7B1 ARG 84 HG3 0.03 -0.17 -0.34 -0.04 1.67 1.15 1xo7B1 ARG 84 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.08 1xo7B1 ARG 84 HD3 0.01 0.00 -0.05 -0.04 3.22 3.14 1xo7B1 PHE 85 H 0.03 0.54 0.19 -0.55 8.34 8.54 1xo7B1 PHE 85 HA 0.02 0.17 0.41 -0.75 4.62 4.46 1xo7B1 PHE 85 HB2 -0.06 -0.07 0.11 -0.04 3.15 3.08 1xo7B1 PHE 85 HB3 0.13 0.05 -0.13 -0.04 3.06 3.07 1xo7B1 PHE 85 HD2 0.07 0.05 -0.15 -0.04 7.28 7.22 1xo7B1 PHE 85 HE2 0.08 0.05 -0.13 -0.04 7.38 7.34 1xo7B1 PHE 85 HZ 0.05 -0.02 -0.03 -0.04 7.32 7.28 1xo7B1 ASP 86 H 0.14 0.14 0.06 -0.55 8.40 8.19 1xo7B1 ASP 86 HA -0.04 0.02 0.39 -0.75 4.63 4.24 1xo7B1 ASP 86 HB2 0.05 -0.01 -0.00 -0.04 2.71 2.70 1xo7B1 ASP 86 HB3 0.01 0.08 -0.01 -0.04 2.70 2.74 1xo7B1 ASP 87 H -0.04 0.08 0.18 -0.55 8.40 8.07 1xo7B1 ASP 87 HA -0.07 0.06 0.65 -0.75 4.63 4.51 1xo7B1 ASP 87 HB2 -0.01 0.05 0.11 -0.04 2.71 2.82 1xo7B1 ASP 87 HB3 -0.00 -0.00 -0.18 -0.04 2.70 2.48 1xo7B1 GLU 88 H 0.04 0.13 0.17 -0.55 8.60 8.39 1xo7B1 GLU 88 HA 0.05 0.13 0.26 -0.75 4.29 3.98 1xo7B1 GLU 88 HB2 0.14 0.05 0.08 -0.04 2.09 2.31 1xo7B1 GLU 88 HB3 0.10 -0.02 0.13 -0.04 1.99 2.17 1xo7B1 GLU 88 HG2 0.06 0.14 0.02 -0.04 2.34 2.52 1xo7B1 GLU 88 HG3 0.06 0.05 0.08 -0.04 2.34 2.49 1xo7B1 ASN 89 H 0.05 0.11 -0.17 -0.55 8.53 7.98 1xo7B1 ASN 89 HA 0.04 0.13 0.59 -0.75 4.76 4.76 1xo7B1 ASN 89 HB2 0.05 0.24 -0.09 -0.04 2.88 3.04 1xo7B1 ASN 89 HB3 0.07 -0.02 0.07 -0.04 2.79 2.87 1xo7B1 ASN 89 HD21 0.03 -0.02 0.03 -0.04 7.03 7.02 1xo7B1 ASN 89 HD22 0.06 0.11 0.03 -0.04 7.74 7.90 1xo7B1 LEU 90 H 0.03 0.25 0.04 -0.55 8.37 8.14 1xo7B1 LEU 90 HA 0.06 0.24 0.78 -0.75 4.35 4.67 1xo7B1 LEU 90 HB2 0.03 0.05 0.03 -0.04 1.64 1.72 1xo7B1 LEU 90 HB3 0.05 -0.01 0.12 -0.04 1.64 1.76 1xo7B1 LEU 90 HG 0.02 -0.12 -0.31 -0.04 1.64 1.20 1xo7B1 LEU 90 HD13 0.01 0.06 -0.06 -0.04 0.93 0.90 1xo7B1 LEU 90 HD23 0.04 0.02 -0.42 -0.04 0.89 0.48 1xo7B1 LYS 91 H 0.04 0.00 -0.09 -0.55 8.42 7.82 1xo7B1 LYS 91 HA 0.04 0.25 0.88 -0.75 4.32 4.74 1xo7B1 LYS 91 HB2 0.03 0.04 0.03 -0.04 1.87 1.93 1xo7B1 LYS 91 HB3 0.02 -0.05 0.09 -0.04 1.79 1.81 1xo7B1 LYS 91 HG2 0.01 0.00 -0.24 -0.04 1.46 1.19 1xo7B1 LYS 91 HG3 0.02 0.02 0.00 -0.04 1.46 1.46 1xo7B1 LYS 91 HD2 0.01 0.01 0.00 -0.04 1.69 1.68 1xo7B1 LYS 91 HD3 0.01 -0.00 -0.00 -0.04 1.68 1.64 1xo7B1 LYS 91 HE2 0.00 0.01 -0.01 -0.04 2.99 2.96 1xo7B1 LYS 91 HE3 -0.00 0.01 -0.03 -0.04 2.99 2.93 1xo7B1 ILE 92 H 0.03 -0.01 -0.04 -0.55 8.25 7.69 1xo7B1 ILE 92 HA 0.02 0.07 0.53 -0.75 4.18 4.04 1xo7B1 ILE 92 HB 0.05 -0.04 0.17 -0.04 1.89 2.03 1xo7B1 ILE 92 HG12 -0.05 0.05 0.05 -0.04 1.49 1.50 1xo7B1 ILE 92 HG13 0.00 -0.07 0.03 -0.04 1.21 1.13 1xo7B1 ILE 92 HG23 0.08 0.04 -0.09 -0.04 0.93 0.92 1xo7B1 ILE 92 HD13 0.04 0.00 0.01 -0.04 0.88 0.90 1xo7B1 LYS 93 H 0.06 0.10 0.18 -0.55 8.42 8.21 1xo7B1 LYS 93 HA 0.08 0.09 0.45 -0.75 4.32 4.19 1xo7B1 LYS 93 HB2 0.11 -0.02 0.09 -0.04 1.87 2.00 1xo7B1 LYS 93 HB3 0.11 0.06 0.09 -0.04 1.79 2.01 1xo7B1 LYS 93 HG2 0.08 0.02 -0.01 -0.04 1.46 1.51 1xo7B1 LYS 93 HG3 0.05 0.06 0.10 -0.04 1.46 1.63 1xo7B1 LYS 93 HD2 0.06 -0.01 0.04 -0.04 1.69 1.73 1xo7B1 LYS 93 HD3 0.07 -0.02 0.06 -0.04 1.68 1.75 1xo7B1 LYS 93 HE2 0.05 -0.02 0.03 -0.04 2.99 3.00 1xo7B1 LYS 93 HE3 0.05 0.02 0.03 -0.04 2.99 3.05 1xo7B1 HIS 94 H 0.24 0.08 0.12 -0.55 8.41 8.31 1xo7B1 HIS 94 HA -0.36 0.11 0.65 -0.75 4.63 4.28 1xo7B1 HIS 94 HB2 -0.15 -0.01 -0.06 -0.04 3.26 3.00 1xo7B1 HIS 94 HB3 -0.22 0.01 -0.02 -0.04 3.20 2.93 1xo7B1 HIS 94 HD2 -0.10 -0.01 -0.13 -0.04 6.97 6.68 1xo7B1 HIS 94 HE1 0.14 0.10 -0.13 -0.04 7.75 7.81 1xo7B1 PHE 95 H -0.90 0.34 0.22 -0.55 8.34 7.45 1xo7B1 PHE 95 HA 0.02 0.08 0.50 -0.75 4.62 4.46 1xo7B1 PHE 95 HB2 0.01 0.04 0.03 -0.04 3.15 3.19 1xo7B1 PHE 95 HB3 0.01 0.09 -0.12 -0.04 3.06 3.00 1xo7B1 PHE 95 HD2 -0.00 0.24 -0.39 -0.04 7.28 7.08 1xo7B1 PHE 95 HE2 0.02 0.03 -0.14 -0.04 7.38 7.25 1xo7B1 PHE 95 HZ 0.19 0.03 -0.10 -0.04 7.32 7.39 1xo7B1 VAL 96 H 0.16 0.12 -0.01 -0.55 8.24 7.96 1xo7B1 VAL 96 HA 0.02 0.04 0.16 -0.75 4.13 3.60 1xo7B1 VAL 96 HB 0.11 -0.00 0.03 -0.04 2.12 2.21 1xo7B1 VAL 96 HG13 0.05 0.00 -0.27 -0.04 0.97 0.72 1xo7B1 VAL 96 HG23 0.07 -0.02 -0.23 -0.04 0.95 0.73 1xo7B1 GLY 97 H -0.02 0.56 0.23 -0.55 8.43 8.65 1xo7B1 GLY 97 HA2 -0.00 0.02 0.43 -0.51 4.01 3.94 1xo7B1 GLY 97 HA3 0.10 0.14 0.80 -0.51 4.01 4.54 1xo7B1 ALA 98 H -0.41 0.45 0.07 -0.55 8.40 7.96 1xo7B1 ALA 98 HA -0.48 0.17 0.73 -0.75 4.34 4.01 1xo7B1 ALA 98 HB3 -1.04 -0.04 0.14 -0.04 1.41 0.44 1xo7B1 VAL 99 H -0.51 0.66 0.25 -0.55 8.24 8.09 1xo7B1 VAL 99 HA -0.43 0.37 0.92 -0.75 4.13 4.24 1xo7B1 VAL 99 HB -0.98 -0.13 -0.04 -0.04 2.12 0.92 1xo7B1 VAL 99 HG13 -0.64 0.01 -0.14 -0.04 0.97 0.16 1xo7B1 VAL 99 HG23 -0.30 0.01 -0.25 -0.04 0.95 0.37 1xo7B1 SER 100 H -0.64 0.60 0.31 -0.55 8.46 8.18 1xo7B1 SER 100 HA -0.28 0.19 0.94 -0.75 4.49 4.59 1xo7B1 SER 100 HB2 -0.55 -0.05 -0.37 -0.04 3.95 2.94 1xo7B1 SER 100 HB3 -1.83 -0.01 -0.13 -0.04 3.93 1.93 1xo7B1 MET 101 H 0.23 0.52 0.22 -0.55 8.47 8.90 1xo7B1 MET 101 HA 0.30 0.13 1.01 -0.75 4.52 5.19 1xo7B1 MET 101 HB2 0.15 -0.20 0.19 -0.04 2.15 2.25 1xo7B1 MET 101 HB3 0.12 0.18 0.00 -0.04 2.03 2.30 1xo7B1 MET 101 HG2 0.05 -0.01 0.03 -0.04 2.63 2.66 1xo7B1 MET 101 HG3 -0.02 -0.06 0.01 -0.04 2.56 2.45 1xo7B1 MET 101 HE3 0.21 0.02 -0.18 -0.04 2.10 2.11 1xo7B1 ALA 102 H 0.31 0.27 0.11 -0.55 8.40 8.55 1xo7B1 ALA 102 HA 0.44 0.08 0.62 -0.75 4.34 4.72 1xo7B1 ALA 102 HB3 0.21 -0.01 -0.11 -0.04 1.41 1.46 1xo7B1 ASN 103 H 0.27 0.26 0.15 -0.55 8.53 8.66 1xo7B1 ASN 103 HA 0.08 0.20 0.37 -0.75 4.76 4.65 1xo7B1 ASN 103 HB2 0.01 -0.03 0.02 -0.04 2.88 2.83 1xo7B1 ASN 103 HB3 0.05 0.03 -0.24 -0.04 2.79 2.58 1xo7B1 ASN 103 HD21 -0.35 0.53 0.12 -0.04 7.03 7.29 1xo7B1 ASN 103 HD22 0.02 -0.15 -0.15 -0.04 7.74 7.42 1xo7B1 ALA 104 H 0.02 0.25 0.03 -0.55 8.40 8.15 1xo7B1 ALA 104 HA 0.03 0.18 0.87 -0.75 4.34 4.67 1xo7B1 ALA 104 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 1xo7B1 GLY 105 H -0.00 0.10 -0.19 -0.55 8.43 7.79 1xo7B1 GLY 105 HA2 -0.02 0.03 0.31 -0.51 4.01 3.82 1xo7B1 GLY 105 HA3 -0.01 0.23 0.81 -0.51 4.01 4.54 1xo7B1 PRO 106 HA -0.03 -0.02 0.31 -0.51 4.44 4.19 1xo7B1 PRO 106 HB2 -0.01 0.05 -0.02 -0.04 2.28 2.26 1xo7B1 PRO 106 HB3 -0.01 0.00 0.08 -0.04 2.02 2.05 1xo7B1 PRO 106 HG2 -0.01 0.05 0.07 -0.04 2.03 2.11 1xo7B1 PRO 106 HG3 -0.01 0.07 0.09 -0.04 2.03 2.14 1xo7B1 PRO 106 HD2 -0.01 0.16 0.17 -0.04 3.68 3.96 1xo7B1 PRO 106 HD3 -0.01 0.11 0.20 -0.04 3.65 3.91 1xo7B1 ASN 107 H -0.04 0.03 0.16 -0.55 8.53 8.14 1xo7B1 ASN 107 HA -0.07 -0.13 0.41 -0.75 4.76 4.21 1xo7B1 ASN 107 HB2 -0.01 0.17 -0.13 -0.04 2.88 2.87 1xo7B1 ASN 107 HB3 -0.01 -0.02 0.07 -0.04 2.79 2.79 1xo7B1 ASN 107 HD21 -0.00 0.04 -0.02 -0.04 7.03 7.00 1xo7B1 ASN 107 HD22 -0.00 0.09 -0.13 -0.04 7.74 7.65 1xo7B1 SER 108 H -0.07 0.07 -0.19 -0.55 8.46 7.73 1xo7B1 SER 108 HA -0.03 0.17 0.65 -0.75 4.49 4.53 1xo7B1 SER 108 HB2 -0.00 -0.02 0.07 -0.04 3.95 3.95 1xo7B1 SER 108 HB3 -0.01 0.19 -0.29 -0.04 3.93 3.78 1xo7B1 ASN 109 H -0.26 0.39 0.04 -0.55 8.53 8.15 1xo7B1 ASN 109 HA -0.09 0.18 0.45 -0.75 4.76 4.55 1xo7B1 ASN 109 HB2 -1.57 0.01 0.02 -0.04 2.88 1.31 1xo7B1 ASN 109 HB3 -0.50 0.03 -0.03 -0.04 2.79 2.24 1xo7B1 ASN 109 HD21 -0.20 -0.18 -0.14 -0.04 7.03 6.48 1xo7B1 ASN 109 HD22 -0.51 0.35 -0.31 -0.04 7.74 7.23 1xo7B1 GLY 110 H 0.08 0.12 0.06 -0.55 8.43 8.15 1xo7B1 GLY 110 HA2 0.23 0.20 0.79 -0.51 4.01 4.72 1xo7B1 GLY 110 HA3 0.09 0.06 0.26 -0.51 4.01 3.92 1xo7B1 SER 111 H 0.11 0.06 0.10 -0.55 8.46 8.19 1xo7B1 SER 111 HA 0.36 0.23 0.93 -0.75 4.49 5.26 1xo7B1 SER 111 HB2 0.52 -0.02 0.18 -0.04 3.95 4.59 1xo7B1 SER 111 HB3 0.32 0.28 -0.00 -0.04 3.93 4.49 1xo7B1 GLN 112 H 0.15 -0.00 0.14 -0.55 8.47 8.21 1xo7B1 GLN 112 HA 0.18 0.16 0.81 -0.75 4.36 4.75 1xo7B1 GLN 112 HB2 0.11 -0.00 0.09 -0.04 2.15 2.30 1xo7B1 GLN 112 HB3 0.09 0.05 0.08 -0.04 2.02 2.20 1xo7B1 GLN 112 HG2 0.02 -0.11 -0.27 -0.04 2.40 1.99 1xo7B1 GLN 112 HG3 -0.01 0.00 -0.11 -0.04 2.39 2.24 1xo7B1 GLN 112 HE21 -0.08 0.40 -0.26 -0.04 6.97 7.00 1xo7B1 GLN 112 HE22 -0.09 0.47 -0.11 -0.04 7.69 7.93 1xo7B1 PHE 113 H -0.26 0.54 0.38 -0.55 8.34 8.45 1xo7B1 PHE 113 HA 0.18 0.05 1.05 -0.75 4.62 5.15 1xo7B1 PHE 113 HB2 0.19 0.05 -0.00 -0.04 3.15 3.35 1xo7B1 PHE 113 HB3 0.35 0.06 -0.28 -0.04 3.06 3.14 1xo7B1 PHE 113 HD2 0.16 0.17 -0.20 -0.04 7.28 7.36 1xo7B1 PHE 113 HE2 -0.22 -0.01 -0.14 -0.04 7.38 6.96 1xo7B1 PHE 113 HZ -0.45 0.01 -0.14 -0.04 7.32 6.69 1xo7B1 PHE 114 H -0.20 0.63 0.39 -0.55 8.34 8.61 1xo7B1 PHE 114 HA -0.07 0.26 1.24 -0.75 4.62 5.30 1xo7B1 PHE 114 HB2 -0.17 0.07 -0.05 -0.04 3.15 2.96 1xo7B1 PHE 114 HB3 -0.15 -0.04 -0.26 -0.04 3.06 2.57 1xo7B1 PHE 114 HD2 -0.16 -0.04 -0.36 -0.04 7.28 6.68 1xo7B1 PHE 114 HE2 -0.30 0.07 -0.33 -0.04 7.38 6.78 1xo7B1 PHE 114 HZ -0.33 0.01 -0.20 -0.04 7.32 6.77 1xo7B1 VAL 115 H 0.17 0.55 0.39 -0.55 8.24 8.81 1xo7B1 VAL 115 HA -0.09 0.38 1.06 -0.75 4.13 4.73 1xo7B1 VAL 115 HB 0.06 -0.06 0.15 -0.04 2.12 2.22 1xo7B1 VAL 115 HG13 -0.02 0.04 -0.14 -0.04 0.97 0.80 1xo7B1 VAL 115 HG23 0.25 -0.02 -0.18 -0.04 0.95 0.96 1xo7B1 THR 116 H -0.09 0.50 0.24 -0.55 8.28 8.38 1xo7B1 THR 116 HA -0.01 0.22 0.84 -0.75 4.39 4.69 1xo7B1 THR 116 HB -0.02 0.14 0.14 -0.04 4.32 4.54 1xo7B1 THR 116 HG23 0.09 0.01 -0.05 -0.04 1.22 1.23 1xo7B1 THR 117 H 0.03 0.65 0.18 -0.55 8.28 8.58 1xo7B1 THR 117 HA 0.02 0.14 0.97 -0.75 4.39 4.77 1xo7B1 THR 117 HB 0.03 -0.01 0.09 -0.04 4.32 4.39 1xo7B1 THR 117 HG23 -0.01 0.02 -0.25 -0.04 1.22 0.94 1xo7B1 ALA 118 H 0.05 0.26 0.08 -0.55 8.40 8.25 1xo7B1 ALA 118 HA 0.07 0.13 0.65 -0.75 4.34 4.44 1xo7B1 ALA 118 HB3 0.15 0.02 -0.13 -0.04 1.41 1.40 1xo7B1 PRO 119 HA 0.00 -0.04 0.44 -0.51 4.44 4.33 1xo7B1 PRO 119 HB2 0.12 0.05 0.06 -0.04 2.28 2.46 1xo7B1 PRO 119 HB3 0.06 0.03 0.10 -0.04 2.02 2.17 1xo7B1 PRO 119 HG2 0.08 0.07 0.10 -0.04 2.03 2.25 1xo7B1 PRO 119 HG3 0.07 0.01 0.09 -0.04 2.03 2.16 1xo7B1 PRO 119 HD2 0.11 0.17 0.22 -0.04 3.68 4.14 1xo7B1 PRO 119 HD3 0.07 0.13 0.21 -0.04 3.65 4.02 1xo7B1 THR 120 H -0.20 0.10 -0.05 -0.55 8.28 7.58 1xo7B1 THR 120 HA -1.92 0.24 0.75 -0.75 4.39 2.70 1xo7B1 THR 120 HB -1.22 -0.05 0.12 -0.04 4.32 3.14 1xo7B1 THR 120 HG23 -0.03 0.08 -0.24 -0.04 1.22 1.00 1xo7B1 PRO 121 HA -0.06 0.06 0.49 -0.51 4.44 4.43 1xo7B1 PRO 121 HB2 0.11 0.08 -0.02 -0.04 2.28 2.41 1xo7B1 PRO 121 HB3 0.06 0.05 0.12 -0.04 2.02 2.21 1xo7B1 PRO 121 HG2 0.38 0.04 0.00 -0.04 2.03 2.41 1xo7B1 PRO 121 HG3 0.17 0.08 0.02 -0.04 2.03 2.26 1xo7B1 PRO 121 HD2 -0.05 0.24 -0.18 -0.04 3.68 3.64 1xo7B1 PRO 121 HD3 -0.02 0.05 0.02 -0.04 3.65 3.66 1xo7B1 TRP 122 H 0.12 0.12 -0.30 -0.55 7.97 7.35 1xo7B1 TRP 122 HA 0.02 0.14 0.53 -0.75 4.62 4.57 1xo7B1 TRP 122 HB2 -0.00 0.05 0.07 -0.04 3.23 3.30 1xo7B1 TRP 122 HB3 -0.01 -0.01 0.05 -0.04 3.23 3.22 1xo7B1 TRP 122 HD1 -0.00 0.02 -0.27 -0.04 7.22 6.93 1xo7B1 TRP 122 HE1 -0.08 0.01 -0.10 -0.04 10.20 9.99 1xo7B1 TRP 122 HE3 -0.01 -0.03 -0.02 -0.04 7.59 7.48 1xo7B1 TRP 122 HZ2 -0.53 0.02 -0.01 -0.04 7.44 6.88 1xo7B1 TRP 122 HZ3 -0.02 0.01 -0.05 -0.04 7.13 7.02 1xo7B1 TRP 122 HH2 -0.08 0.14 0.08 -0.04 7.19 7.28 1xo7B1 LEU 123 H -0.63 0.43 -0.41 -0.55 8.37 7.21 1xo7B1 LEU 123 HA 0.04 0.14 0.60 -0.75 4.35 4.37 1xo7B1 LEU 123 HB2 -1.03 0.08 0.02 -0.04 1.64 0.67 1xo7B1 LEU 123 HB3 -0.38 -0.07 -0.03 -0.04 1.64 1.12 1xo7B1 LEU 123 HG -0.87 -0.04 -0.08 -0.04 1.64 0.61 1xo7B1 LEU 123 HD13 -0.38 -0.01 -0.10 -0.04 0.93 0.40 1xo7B1 LEU 123 HD23 0.12 0.02 -0.13 -0.04 0.89 0.86 1xo7B1 ASP 124 H -0.02 0.36 -0.24 -0.55 8.40 7.95 1xo7B1 ASP 124 HA 0.28 -0.02 0.48 -0.75 4.63 4.61 1xo7B1 ASP 124 HB2 0.09 0.21 0.22 -0.04 2.71 3.19 1xo7B1 ASP 124 HB3 0.11 0.03 0.06 -0.04 2.70 2.86 1xo7B1 GLY 125 H 0.14 0.18 0.26 -0.55 8.43 8.47 1xo7B1 GLY 125 HA2 0.06 0.17 0.46 -0.51 4.01 4.20 1xo7B1 GLY 125 HA3 0.06 0.10 0.49 -0.51 4.01 4.15 1xo7B1 ARG 126 H 0.13 0.45 -0.19 -0.55 8.46 8.29 1xo7B1 ARG 126 HA -0.04 0.17 1.00 -0.75 4.34 4.71 1xo7B1 ARG 126 HB2 0.06 0.11 -0.05 -0.04 1.90 1.98 1xo7B1 ARG 126 HB3 -0.17 -0.10 0.03 -0.04 1.80 1.51 1xo7B1 ARG 126 HG2 0.01 -0.07 -0.07 -0.04 1.67 1.50 1xo7B1 ARG 126 HG3 0.05 0.04 -0.48 -0.04 1.67 1.24 1xo7B1 ARG 126 HD2 0.13 0.15 -0.02 -0.04 3.22 3.44 1xo7B1 ARG 126 HD3 0.09 -0.10 -0.04 -0.04 3.22 3.13 1xo7B1 HIS 127 H 0.23 0.24 0.18 -0.55 8.41 8.51 1xo7B1 HIS 127 HA 0.14 0.15 0.63 -0.75 4.63 4.81 1xo7B1 HIS 127 HB2 0.48 -0.07 -0.09 -0.04 3.26 3.55 1xo7B1 HIS 127 HB3 0.33 0.11 -0.05 -0.04 3.20 3.54 1xo7B1 HIS 127 HD2 0.09 0.01 -0.15 -0.04 6.97 6.87 1xo7B1 HIS 127 HE1 0.07 -0.08 -0.00 -0.04 7.75 7.70 1xo7B1 VAL 128 H 0.16 0.18 0.11 -0.55 8.24 8.14 1xo7B1 VAL 128 HA 0.09 0.25 0.78 -0.75 4.13 4.50 1xo7B1 VAL 128 HB 0.10 -0.03 0.20 -0.04 2.12 2.35 1xo7B1 VAL 128 HG13 0.13 0.03 -0.09 -0.04 0.97 1.00 1xo7B1 VAL 128 HG23 0.03 0.00 -0.05 -0.04 0.95 0.90 1xo7B1 VAL 129 H -0.01 0.26 0.24 -0.55 8.24 8.18 1xo7B1 VAL 129 HA -0.24 0.09 0.67 -0.75 4.13 3.90 1xo7B1 VAL 129 HB -0.05 -0.04 0.06 -0.04 2.12 2.05 1xo7B1 VAL 129 HG13 -0.08 0.02 -0.07 -0.04 0.97 0.80 1xo7B1 VAL 129 HG23 -0.74 0.02 -0.23 -0.04 0.95 -0.04 1xo7B1 PHE 130 H -0.58 0.60 0.42 -0.55 8.34 8.22 1xo7B1 PHE 130 HA 0.06 0.20 1.00 -0.75 4.62 5.12 1xo7B1 PHE 130 HB2 -0.09 -0.10 0.07 -0.04 3.15 2.99 1xo7B1 PHE 130 HB3 -0.03 0.00 -0.19 -0.04 3.06 2.80 1xo7B1 PHE 130 HD2 -0.27 0.03 -0.13 -0.04 7.28 6.87 1xo7B1 PHE 130 HE2 -1.17 -0.02 -0.38 -0.04 7.38 5.76 1xo7B1 PHE 130 HZ -0.68 0.02 -0.21 -0.04 7.32 6.40 1xo7B1 GLY 131 H -0.77 0.38 0.34 -0.55 8.43 7.84 1xo7B1 GLY 131 HA2 -1.89 0.05 0.48 -0.51 4.01 2.14 1xo7B1 GLY 131 HA3 -0.85 0.05 0.52 -0.51 4.01 3.22 1xo7B1 LYS 132 H -0.44 0.62 0.38 -0.55 8.42 8.43 1xo7B1 LYS 132 HA -0.09 0.21 0.83 -0.75 4.32 4.51 1xo7B1 LYS 132 HB2 0.29 0.10 -0.01 -0.04 1.87 2.21 1xo7B1 LYS 132 HB3 0.53 0.02 -0.12 -0.04 1.79 2.17 1xo7B1 LYS 132 HG2 0.16 -0.07 -0.12 -0.04 1.46 1.39 1xo7B1 LYS 132 HG3 0.06 -0.04 -0.34 -0.04 1.46 1.10 1xo7B1 LYS 132 HD2 0.04 0.07 -0.10 -0.04 1.69 1.66 1xo7B1 LYS 132 HD3 0.07 0.01 -0.12 -0.04 1.68 1.60 1xo7B1 LYS 132 HE2 0.23 -0.02 -0.12 -0.04 2.99 3.04 1xo7B1 LYS 132 HE3 0.07 -0.05 -0.08 -0.04 2.99 2.89 1xo7B1 VAL 133 H -0.01 0.65 0.29 -0.55 8.24 8.63 1xo7B1 VAL 133 HA -0.06 0.08 0.74 -0.75 4.13 4.14 1xo7B1 VAL 133 HB 0.01 0.01 0.20 -0.04 2.12 2.30 1xo7B1 VAL 133 HG13 -0.00 -0.02 -0.21 -0.04 0.97 0.70 1xo7B1 VAL 133 HG23 -0.03 0.04 0.01 -0.04 0.95 0.92 1xo7B1 VAL 134 H -0.03 0.53 0.47 -0.55 8.24 8.67 1xo7B1 VAL 134 HA 0.01 0.27 1.11 -0.75 4.13 4.77 1xo7B1 VAL 134 HB 0.00 0.01 0.09 -0.04 2.12 2.19 1xo7B1 VAL 134 HG13 0.01 0.02 -0.07 -0.04 0.97 0.89 1xo7B1 VAL 134 HG23 -0.01 -0.01 -0.17 -0.04 0.95 0.72 1xo7B1 GLU 135 H -0.00 0.41 0.32 -0.55 8.60 8.78 1xo7B1 GLU 135 HA 0.01 0.15 0.57 -0.75 4.29 4.25 1xo7B1 GLU 135 HB2 0.01 -0.08 0.09 -0.04 2.09 2.07 1xo7B1 GLU 135 HB3 0.01 0.05 0.02 -0.04 1.99 2.03 1xo7B1 GLU 135 HG2 0.00 0.06 0.18 -0.04 2.34 2.54 1xo7B1 GLU 135 HG3 0.00 0.04 -0.28 -0.04 2.34 2.06 1xo7B1 GLY 136 H 0.01 0.19 0.17 -0.55 8.43 8.25 1xo7B1 GLY 136 HA2 0.01 0.00 0.38 -0.51 4.01 3.90 1xo7B1 GLY 136 HA3 0.02 0.43 0.57 -0.51 4.01 4.52 1xo7B1 MET 137 H 0.01 0.16 -0.11 -0.55 8.47 7.99 1xo7B1 MET 137 HA 0.00 0.10 0.58 -0.75 4.52 4.46 1xo7B1 MET 137 HB2 0.01 0.07 0.04 -0.04 2.15 2.23 1xo7B1 MET 137 HB3 0.01 0.02 0.05 -0.04 2.03 2.07 1xo7B1 MET 137 HG2 0.02 0.08 -0.02 -0.04 2.63 2.67 1xo7B1 MET 137 HG3 0.01 -0.02 -0.01 -0.04 2.56 2.50 1xo7B1 MET 137 HE3 0.01 0.04 0.02 -0.04 2.10 2.13 1xo7B1 ASP 138 H 0.01 0.04 -0.26 -0.55 8.40 7.64 1xo7B1 ASP 138 HA 0.00 0.10 0.31 -0.75 4.63 4.29 1xo7B1 ASP 138 HB2 0.01 0.09 0.03 -0.04 2.71 2.80 1xo7B1 ASP 138 HB3 0.01 -0.00 0.07 -0.04 2.70 2.73 1xo7B1 VAL 139 H 0.01 0.26 -0.33 -0.55 8.24 7.63 1xo7B1 VAL 139 HA -0.00 0.10 0.33 -0.75 4.13 3.81 1xo7B1 VAL 139 HB 0.02 0.18 -0.01 -0.04 2.12 2.27 1xo7B1 VAL 139 HG13 0.01 0.01 -0.29 -0.04 0.97 0.66 1xo7B1 VAL 139 HG23 0.02 -0.01 -0.26 -0.04 0.95 0.67 1xo7B1 VAL 140 H -0.01 0.33 -0.15 -0.55 8.24 7.86 1xo7B1 VAL 140 HA -0.10 0.03 0.44 -0.75 4.13 3.75 1xo7B1 VAL 140 HB -0.02 0.15 0.16 -0.04 2.12 2.38 1xo7B1 VAL 140 HG13 -0.04 -0.00 -0.16 -0.04 0.97 0.73 1xo7B1 VAL 140 HG23 -0.02 0.01 0.00 -0.04 0.95 0.91 1xo7B1 LYS 141 H -0.01 0.50 -0.20 -0.55 8.42 8.15 1xo7B1 LYS 141 HA -0.01 0.01 0.38 -0.75 4.32 3.94 1xo7B1 LYS 141 HB2 -0.00 0.09 0.07 -0.04 1.87 1.99 1xo7B1 LYS 141 HB3 0.00 -0.01 0.02 -0.04 1.79 1.76 1xo7B1 LYS 141 HG2 0.00 0.23 0.02 -0.04 1.46 1.68 1xo7B1 LYS 141 HG3 0.01 -0.05 -0.06 -0.04 1.46 1.32 1xo7B1 LYS 141 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 1xo7B1 LYS 141 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.64 1xo7B1 LYS 141 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.94 1xo7B1 LYS 141 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 1xo7B1 LYS 142 H -0.02 0.44 -0.25 -0.55 8.42 8.04 1xo7B1 LYS 142 HA -0.01 0.03 0.42 -0.75 4.32 4.01 1xo7B1 LYS 142 HB2 -0.01 0.06 0.16 -0.04 1.87 2.04 1xo7B1 LYS 142 HB3 -0.01 -0.02 -0.06 -0.04 1.79 1.66 1xo7B1 LYS 142 HG2 0.00 -0.02 0.00 -0.04 1.46 1.40 1xo7B1 LYS 142 HG3 -0.00 -0.01 0.02 -0.04 1.46 1.43 1xo7B1 LYS 142 HD2 0.00 -0.07 -0.27 -0.04 1.69 1.31 1xo7B1 LYS 142 HD3 0.00 0.03 -0.04 -0.04 1.68 1.63 1xo7B1 LYS 142 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 1xo7B1 LYS 142 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.87 1xo7B1 VAL 143 H -0.05 0.58 -0.09 -0.55 8.24 8.13 1xo7B1 VAL 143 HA -0.05 0.05 0.62 -0.75 4.13 4.00 1xo7B1 VAL 143 HB -0.16 0.11 0.12 -0.04 2.12 2.15 1xo7B1 VAL 143 HG13 -0.22 -0.02 -0.15 -0.04 0.97 0.55 1xo7B1 VAL 143 HG23 -0.14 0.02 -0.03 -0.04 0.95 0.76 1xo7B1 GLU 144 H -0.05 0.62 -0.15 -0.55 8.60 8.47 1xo7B1 GLU 144 HA -0.03 -0.01 0.30 -0.75 4.29 3.80 1xo7B1 GLU 144 HB2 -0.03 0.02 0.03 -0.04 2.09 2.07 1xo7B1 GLU 144 HB3 -0.01 0.14 0.12 -0.04 1.99 2.20 1xo7B1 GLU 144 HG2 0.01 0.02 -0.10 -0.04 2.34 2.23 1xo7B1 GLU 144 HG3 0.01 -0.02 -0.03 -0.04 2.34 2.25 1xo7B1 ASN 145 H -0.01 0.30 -0.61 -0.55 8.53 7.66 1xo7B1 ASN 145 HA 0.01 0.08 0.58 -0.75 4.76 4.66 1xo7B1 ASN 145 HB2 0.00 0.08 0.07 -0.04 2.88 3.00 1xo7B1 ASN 145 HB3 0.00 0.02 -0.01 -0.04 2.79 2.76 1xo7B1 ASN 145 HD21 0.01 -0.04 0.03 -0.04 7.03 6.99 1xo7B1 ASN 145 HD22 0.01 -0.01 0.02 -0.04 7.74 7.72 1xo7B1 THR 146 H -0.01 0.51 -0.36 -0.55 8.28 7.87 1xo7B1 THR 146 HA 0.00 -0.03 0.41 -0.75 4.39 4.01 1xo7B1 THR 146 HB -0.01 0.06 0.19 -0.04 4.32 4.53 1xo7B1 THR 146 HG23 0.00 0.03 -0.07 -0.04 1.22 1.15 1xo7B1 LYS 147 H 0.01 0.02 0.19 -0.55 8.42 8.09 1xo7B1 LYS 147 HA 0.01 0.12 0.31 -0.75 4.32 4.01 1xo7B1 LYS 147 HB2 0.01 -0.06 0.16 -0.04 1.87 1.94 1xo7B1 LYS 147 HB3 0.01 0.00 -0.11 -0.04 1.79 1.65 1xo7B1 LYS 147 HG2 0.01 -0.00 0.04 -0.04 1.46 1.47 1xo7B1 LYS 147 HG3 0.01 0.05 0.09 -0.04 1.46 1.57 1xo7B1 LYS 147 HD2 0.01 0.09 0.04 -0.04 1.69 1.78 1xo7B1 LYS 147 HD3 0.01 -0.05 0.08 -0.04 1.68 1.68 1xo7B1 LYS 147 HE2 0.01 -0.03 0.02 -0.04 2.99 2.95 1xo7B1 LYS 147 HE3 0.01 0.01 0.03 -0.04 2.99 2.99 1xo7B1 THR 148 H 0.01 0.18 0.23 -0.55 8.28 8.15 1xo7B1 THR 148 HA 0.02 0.14 0.77 -0.75 4.39 4.56 1xo7B1 THR 148 HB 0.02 -0.12 -0.44 -0.04 4.32 3.74 1xo7B1 THR 148 HG23 0.01 0.10 -0.29 -0.04 1.22 1.00 1xo7B1 GLY 149 H 0.02 0.64 0.04 -0.55 8.43 8.59 1xo7B1 GLY 149 HA2 0.01 0.14 0.75 -0.51 4.01 4.40 1xo7B1 GLY 149 HA3 0.01 -0.02 0.38 -0.51 4.01 3.87 1xo7B1 LEU 150 H 0.02 0.14 0.18 -0.55 8.37 8.16 1xo7B1 LEU 150 HA 0.01 0.10 0.56 -0.75 4.35 4.27 1xo7B1 LEU 150 HB2 0.02 0.03 0.15 -0.04 1.64 1.79 1xo7B1 LEU 150 HB3 0.01 0.02 0.11 -0.04 1.64 1.75 1xo7B1 LEU 150 HG 0.01 0.02 0.05 -0.04 1.64 1.68 1xo7B1 LEU 150 HD13 0.01 -0.00 0.02 -0.04 0.93 0.92 1xo7B1 LEU 150 HD23 0.01 0.01 0.04 -0.04 0.89 0.90 1xo7B1 ASN 151 H 0.02 0.16 0.20 -0.55 8.53 8.36 1xo7B1 ASN 151 HA 0.02 0.03 0.26 -0.75 4.76 4.32 1xo7B1 ASN 151 HB2 0.03 0.14 -0.30 -0.04 2.88 2.71 1xo7B1 ASN 151 HB3 0.04 0.06 0.15 -0.04 2.79 2.99 1xo7B1 ASN 151 HD21 0.01 0.00 0.02 -0.04 7.03 7.03 1xo7B1 ASN 151 HD22 0.02 0.03 0.05 -0.04 7.74 7.80 1xo7B1 ASP 152 H 0.02 0.11 -0.28 -0.55 8.40 7.70 1xo7B1 ASP 152 HA 0.02 0.05 0.17 -0.75 4.63 4.12 1xo7B1 ASP 152 HB2 0.02 0.14 0.09 -0.04 2.71 2.92 1xo7B1 ASP 152 HB3 0.01 0.08 0.16 -0.04 2.70 2.91 1xo7B1 LYS 153 H 0.03 0.37 -0.46 -0.55 8.42 7.81 1xo7B1 LYS 153 HA 0.04 0.36 0.75 -0.75 4.32 4.72 1xo7B1 LYS 153 HB2 0.03 -0.10 0.12 -0.04 1.87 1.89 1xo7B1 LYS 153 HB3 0.05 0.04 0.00 -0.04 1.79 1.84 1xo7B1 LYS 153 HG2 0.08 0.11 0.08 -0.04 1.46 1.69 1xo7B1 LYS 153 HG3 0.05 0.03 -0.04 -0.04 1.46 1.46 1xo7B1 LYS 153 HD2 0.04 -0.05 0.01 -0.04 1.69 1.64 1xo7B1 LYS 153 HD3 0.03 -0.05 0.01 -0.04 1.68 1.64 1xo7B1 LYS 153 HE2 0.04 0.00 0.02 -0.04 2.99 3.00 1xo7B1 LYS 153 HE3 0.05 0.04 0.04 -0.04 2.99 3.09 1xo7B1 PRO 154 HA 0.02 0.18 0.50 -0.51 4.44 4.63 1xo7B1 PRO 154 HB2 0.04 -0.03 0.02 -0.04 2.28 2.27 1xo7B1 PRO 154 HB3 0.03 0.02 0.09 -0.04 2.02 2.11 1xo7B1 PRO 154 HG2 0.06 0.08 0.07 -0.04 2.03 2.20 1xo7B1 PRO 154 HG3 0.02 0.05 -0.02 -0.04 2.03 2.05 1xo7B1 PRO 154 HD2 0.06 0.07 0.19 -0.04 3.68 3.96 1xo7B1 PRO 154 HD3 0.03 0.28 0.17 -0.04 3.65 4.08 1xo7B1 LYS 155 H 0.02 0.62 0.32 -0.55 8.42 8.82 1xo7B1 LYS 155 HA 0.02 0.08 0.57 -0.75 4.32 4.23 1xo7B1 LYS 155 HB2 0.01 0.02 0.03 -0.04 1.87 1.89 1xo7B1 LYS 155 HB3 0.01 -0.04 0.01 -0.04 1.79 1.73 1xo7B1 LYS 155 HG2 0.01 -0.05 -0.07 -0.04 1.46 1.31 1xo7B1 LYS 155 HG3 0.02 -0.01 -0.18 -0.04 1.46 1.25 1xo7B1 LYS 155 HD2 0.01 -0.01 -0.21 -0.04 1.69 1.44 1xo7B1 LYS 155 HD3 0.01 -0.04 -0.09 -0.04 1.68 1.52 1xo7B1 LYS 155 HE2 0.01 -0.13 -0.47 -0.04 2.99 2.37 1xo7B1 LYS 155 HE3 0.01 0.04 -0.69 -0.04 2.99 2.31 1xo7B1 LYS 156 H 0.02 0.17 -0.04 -0.55 8.42 8.02 1xo7B1 LYS 156 HA 0.02 0.18 0.73 -0.75 4.32 4.50 1xo7B1 LYS 156 HB2 0.02 -0.01 0.02 -0.04 1.87 1.85 1xo7B1 LYS 156 HB3 0.02 -0.07 -0.02 -0.04 1.79 1.68 1xo7B1 LYS 156 HG2 0.01 0.11 -0.03 -0.04 1.46 1.51 1xo7B1 LYS 156 HG3 0.01 -0.04 -0.12 -0.04 1.46 1.27 1xo7B1 LYS 156 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 1xo7B1 LYS 156 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.57 1xo7B1 LYS 156 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.93 1xo7B1 LYS 156 HE3 0.01 0.05 0.01 -0.04 2.99 3.02 1xo7B1 ALA 157 H 0.02 0.13 0.07 -0.55 8.40 8.07 1xo7B1 ALA 157 HA 0.05 0.15 0.13 -0.75 4.34 3.92 1xo7B1 ALA 157 HB3 0.03 0.01 -0.04 -0.04 1.41 1.37 1xo7B1 VAL 158 H 0.09 0.24 0.22 -0.55 8.24 8.24 1xo7B1 VAL 158 HA 0.07 0.28 0.88 -0.75 4.13 4.60 1xo7B1 VAL 158 HB 0.18 -0.03 0.33 -0.04 2.12 2.56 1xo7B1 VAL 158 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.86 1xo7B1 VAL 158 HG23 0.03 0.04 0.07 -0.04 0.95 1.05 1xo7B1 LYS 159 H 0.09 0.61 0.36 -0.55 8.42 8.92 1xo7B1 LYS 159 HA 0.11 0.26 0.69 -0.75 4.32 4.63 1xo7B1 LYS 159 HB2 0.06 -0.03 -0.21 -0.04 1.87 1.65 1xo7B1 LYS 159 HB3 0.06 -0.12 -0.01 -0.04 1.79 1.68 1xo7B1 LYS 159 HG2 0.06 -0.08 -0.67 -0.04 1.46 0.73 1xo7B1 LYS 159 HG3 0.07 0.22 -0.30 -0.04 1.46 1.41 1xo7B1 LYS 159 HD2 0.03 -0.07 -0.11 -0.04 1.69 1.49 1xo7B1 LYS 159 HD3 0.04 0.08 -0.09 -0.04 1.68 1.66 1xo7B1 LYS 159 HE2 0.01 0.15 -0.12 -0.04 2.99 2.98 1xo7B1 LYS 159 HE3 0.03 -0.11 -0.20 -0.04 2.99 2.68 1xo7B1 ILE 160 H 0.05 0.74 0.22 -0.55 8.25 8.71 1xo7B1 ILE 160 HA 0.07 0.12 0.79 -0.75 4.18 4.40 1xo7B1 ILE 160 HB -0.08 0.10 0.20 -0.04 1.89 2.06 1xo7B1 ILE 160 HG12 -0.18 -0.03 -0.09 -0.04 1.49 1.15 1xo7B1 ILE 160 HG13 -0.03 0.01 -0.10 -0.04 1.21 1.05 1xo7B1 ILE 160 HG23 -0.16 -0.05 -0.17 -0.04 0.93 0.51 1xo7B1 ILE 160 HD13 -0.80 -0.02 -0.12 -0.04 0.88 -0.09 1xo7B1 ASN 161 H 0.08 0.46 0.15 -0.55 8.53 8.68 1xo7B1 ASN 161 HA 0.06 0.03 0.44 -0.75 4.76 4.53 1xo7B1 ASN 161 HB2 0.06 -0.05 0.01 -0.04 2.88 2.87 1xo7B1 ASN 161 HB3 0.08 0.00 0.05 -0.04 2.79 2.88 1xo7B1 ASN 161 HD21 0.04 0.00 -0.09 -0.04 7.03 6.95 1xo7B1 ASN 161 HD22 0.06 -0.03 -0.16 -0.04 7.74 7.57 1xo7B1 ASP 162 H 0.12 0.29 0.14 -0.55 8.40 8.40 1xo7B1 ASP 162 HA 0.07 0.18 0.46 -0.75 4.63 4.58 1xo7B1 ASP 162 HB2 0.15 0.02 0.10 -0.04 2.71 2.95 1xo7B1 ASP 162 HB3 0.09 0.15 0.00 -0.04 2.70 2.90 1xo7B1 CYS 163 H 0.04 0.38 0.23 -0.55 8.50 8.60 1xo7B1 CYS 163 HA -0.29 0.12 0.68 -0.75 4.58 4.33 1xo7B1 CYS 163 HB2 0.10 0.00 0.23 -0.04 2.97 3.26 1xo7B1 CYS 163 HB3 0.26 -0.02 -0.01 -0.04 2.97 3.16 1xo7B1 GLY 164 H -0.78 0.40 0.36 -0.55 8.43 7.87 1xo7B1 GLY 164 HA2 -0.22 0.16 0.30 -0.51 4.01 3.74 1xo7B1 GLY 164 HA3 -0.28 0.09 0.29 -0.51 4.01 3.60 1xo7B1 VAL 165 H -0.03 0.23 0.18 -0.55 8.24 8.08 1xo7B1 VAL 165 HA -0.01 0.18 1.01 -0.75 4.13 4.55 1xo7B1 VAL 165 HB -0.00 0.02 0.18 -0.04 2.12 2.28 1xo7B1 VAL 165 HG13 0.02 -0.01 -0.03 -0.04 0.97 0.91 1xo7B1 VAL 165 HG23 -0.05 -0.00 0.02 -0.04 0.95 0.87 1xo7B1 LEU 166 H 0.10 0.58 0.19 -0.55 8.37 8.70 1xo7B1 LEU 166 HA 0.13 0.17 0.35 -0.75 4.35 4.25 1xo7B1 LEU 166 HB2 0.07 -0.02 0.06 -0.04 1.64 1.71 1xo7B1 LEU 166 HB3 0.04 0.03 0.03 -0.04 1.64 1.70 1xo7B1 LEU 166 HG 0.23 -0.04 -0.21 -0.04 1.64 1.58 1xo7B1 LEU 166 HD13 0.03 -0.01 -0.10 -0.04 0.93 0.81 1xo7B1 LEU 166 HD23 -0.07 0.02 -0.13 -0.04 0.89 0.66