============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 15 1.040 20.175 39.637 57.330 -99.200 -91.000 TRP6 15 1.020 21.640 41.417 56.787 -99.200 -91.000 TYR 32 0.840 19.998 38.829 30.877 -99.200 -91.000 HIS 37 0.900 34.614 34.913 45.065 -99.200 -91.000 HIS 42 0.900 34.953 29.204 55.617 -99.200 -91.000 TYR 59 0.840 34.090 47.054 52.503 -99.200 -91.000 HIS 60 0.900 28.455 45.539 49.809 -99.200 -91.000 TRP 66 1.040 27.788 51.360 46.837 -99.200 -91.000 TRP6 66 1.020 28.671 49.217 46.366 -99.200 -91.000 TYR 71 0.840 27.185 40.863 47.118 -99.200 -91.000 PHE 73 1.000 16.779 37.216 47.469 -99.200 -91.000 TYR 82 0.840 21.949 34.555 56.632 -99.200 -91.000 TRP 87 1.040 12.387 37.519 45.304 -99.200 -91.000 TRP6 87 1.020 13.758 36.078 44.034 -99.200 -91.000 HIS 93 0.900 24.115 42.377 40.755 -99.200 -91.000 TRP 98 1.040 25.852 42.827 32.335 -99.200 -91.000 TRP6 98 1.020 24.439 41.070 31.649 -99.200 -91.000 PHE 107 1.000 26.485 30.239 45.986 -99.200 -91.000 TYR 111 0.840 32.289 29.896 48.343 -99.200 -91.000 TYR 141 0.840 16.464 30.744 36.552 -99.200 -91.000 HIS 146 0.900 31.047 39.944 39.868 -99.200 -91.000 TYR 160 0.840 32.695 31.034 35.225 -99.200 -91.000 TRP 166 1.040 23.909 25.529 39.161 -99.200 -91.000 TRP6 166 1.020 23.409 27.480 40.392 -99.200 -91.000 HIS 168 0.900 16.616 28.042 34.059 -99.200 -91.000 TYR 169 0.840 27.326 29.655 32.839 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9nA1 GLU 1 HA -0.01 -0.06 0.21 -0.75 4.29 3.67 2z9nA1 GLU 1 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.10 2z9nA1 GLU 1 HB3 -0.01 0.01 -0.08 -0.04 1.99 1.88 2z9nA1 GLU 1 HG2 -0.00 -0.02 0.06 -0.04 2.34 2.33 2z9nA1 GLU 1 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.32 2z9nA1 ASP 2 H -0.02 0.20 0.05 -0.55 8.40 8.08 2z9nA1 ASP 2 HA -0.02 0.17 1.00 -0.75 4.63 5.02 2z9nA1 ASP 2 HB2 -0.03 -0.05 0.10 -0.04 2.71 2.69 2z9nA1 ASP 2 HB3 -0.04 0.15 0.27 -0.04 2.70 3.04 2z9nA1 PRO 3 HA -0.05 0.37 0.79 -0.51 4.44 5.04 2z9nA1 PRO 3 HB2 -0.01 -0.06 0.17 -0.04 2.28 2.33 2z9nA1 PRO 3 HB3 -0.02 -0.04 0.10 -0.04 2.02 2.02 2z9nA1 PRO 3 HG2 -0.01 -0.01 -0.04 -0.04 2.03 1.94 2z9nA1 PRO 3 HG3 -0.02 0.09 -0.16 -0.04 2.03 1.90 2z9nA1 PRO 3 HD2 -0.02 0.09 0.03 -0.04 3.68 3.74 2z9nA1 PRO 3 HD3 -0.02 0.13 -0.55 -0.04 3.65 3.17 2z9nA1 PRO 4 HA -0.02 -0.01 0.45 -0.51 4.44 4.34 2z9nA1 PRO 4 HB2 -0.04 0.03 0.19 -0.04 2.28 2.43 2z9nA1 PRO 4 HB3 -0.02 -0.01 0.06 -0.04 2.02 2.00 2z9nA1 PRO 4 HG2 -0.03 0.05 0.03 -0.04 2.03 2.04 2z9nA1 PRO 4 HG3 -0.02 -0.02 -0.01 -0.04 2.03 1.94 2z9nA1 PRO 4 HD2 -0.04 0.43 0.02 -0.04 3.68 4.05 2z9nA1 PRO 4 HD3 -0.03 0.01 -0.36 -0.04 3.65 3.23 2z9nA1 ALA 5 H -0.02 0.25 0.30 -0.55 8.40 8.38 2z9nA1 ALA 5 HA -0.01 -0.03 0.32 -0.75 4.34 3.87 2z9nA1 ALA 5 HB3 -0.02 0.03 0.01 -0.04 1.41 1.40 2z9nA1 CYS 6 H -0.03 0.12 -0.44 -0.55 8.50 7.61 2z9nA1 CYS 6 HA -0.04 0.04 0.25 -0.75 4.58 4.08 2z9nA1 CYS 6 HB2 -0.02 0.06 0.03 -0.04 2.97 3.00 2z9nA1 CYS 6 HB3 0.01 -0.04 0.06 -0.04 2.97 2.96 2z9nA1 GLY 7 H 0.02 0.25 0.13 -0.55 8.43 8.28 2z9nA1 GLY 7 HA2 -0.01 0.08 0.35 -0.51 4.01 3.92 2z9nA1 GLY 7 HA3 -0.00 0.09 0.38 -0.51 4.01 3.96 2z9nA1 SER 8 H -0.01 0.17 0.13 -0.55 8.46 8.20 2z9nA1 SER 8 HA 0.02 0.18 1.01 -0.75 4.49 4.95 2z9nA1 SER 8 HB2 -0.01 0.01 -0.04 -0.04 3.95 3.87 2z9nA1 SER 8 HB3 -0.00 0.03 -0.00 -0.04 3.93 3.92 2z9nA1 ILE 9 H 0.04 0.24 0.19 -0.55 8.25 8.17 2z9nA1 ILE 9 HA -0.02 0.17 0.95 -0.75 4.18 4.52 2z9nA1 ILE 9 HB 0.12 0.00 0.02 -0.04 1.89 1.99 2z9nA1 ILE 9 HG12 0.03 -0.00 -0.17 -0.04 1.49 1.30 2z9nA1 ILE 9 HG13 0.04 -0.04 -0.52 -0.04 1.21 0.64 2z9nA1 ILE 9 HG23 0.16 -0.01 -0.35 -0.04 0.93 0.69 2z9nA1 ILE 9 HD13 0.24 0.01 -0.14 -0.04 0.88 0.95 2z9nA1 VAL 10 H -0.13 0.71 0.30 -0.55 8.24 8.57 2z9nA1 VAL 10 HA -0.01 0.13 0.60 -0.75 4.13 4.10 2z9nA1 VAL 10 HB -0.43 -0.08 0.17 -0.04 2.12 1.73 2z9nA1 VAL 10 HG13 0.12 0.02 -0.11 -0.04 0.97 0.96 2z9nA1 VAL 10 HG23 -0.38 0.01 -0.06 -0.04 0.95 0.47 2z9nA1 PRO 11 HA 0.11 0.06 0.49 -0.51 4.44 4.59 2z9nA1 PRO 11 HB2 0.02 -0.08 0.02 -0.04 2.28 2.20 2z9nA1 PRO 11 HB3 0.05 0.12 0.12 -0.04 2.02 2.27 2z9nA1 PRO 11 HG2 0.05 -0.08 0.04 -0.04 2.03 2.00 2z9nA1 PRO 11 HG3 0.04 0.11 0.07 -0.04 2.03 2.20 2z9nA1 PRO 11 HD2 0.06 0.04 0.28 -0.04 3.68 4.02 2z9nA1 PRO 11 HD3 0.05 0.38 0.35 -0.04 3.65 4.38 2z9nA1 ARG 12 H 0.02 0.24 0.21 -0.55 8.46 8.37 2z9nA1 ARG 12 HA -1.16 0.10 0.42 -0.75 4.34 2.95 2z9nA1 ARG 12 HB2 -0.26 0.02 0.04 -0.04 1.90 1.66 2z9nA1 ARG 12 HB3 -0.65 0.02 0.10 -0.04 1.80 1.23 2z9nA1 ARG 12 HG2 0.12 0.26 0.09 -0.04 1.67 2.10 2z9nA1 ARG 12 HG3 0.02 -0.15 0.19 -0.04 1.67 1.69 2z9nA1 ARG 12 HD2 -0.01 0.09 0.01 -0.04 3.22 3.26 2z9nA1 ARG 12 HD3 -0.08 -0.06 0.04 -0.04 3.22 3.08 2z9nA1 ARG 13 H -0.12 0.10 -0.23 -0.55 8.46 7.66 2z9nA1 ARG 13 HA -0.16 0.13 0.40 -0.75 4.34 3.96 2z9nA1 ARG 13 HB2 -0.04 -0.00 -0.01 -0.04 1.90 1.81 2z9nA1 ARG 13 HB3 -0.05 0.05 0.13 -0.04 1.80 1.89 2z9nA1 ARG 13 HG2 -0.08 0.07 0.02 -0.04 1.67 1.64 2z9nA1 ARG 13 HG3 -0.10 -0.12 0.04 -0.04 1.67 1.46 2z9nA1 ARG 13 HD2 -0.02 -0.02 0.02 -0.04 3.22 3.15 2z9nA1 ARG 13 HD3 -0.03 0.03 0.02 -0.04 3.22 3.20 2z9nA1 GLU 14 H -0.08 0.34 -0.80 -0.55 8.60 7.52 2z9nA1 GLU 14 HA 0.03 0.21 0.95 -0.75 4.29 4.72 2z9nA1 GLU 14 HB2 0.06 -0.06 -0.05 -0.04 2.09 1.99 2z9nA1 GLU 14 HB3 0.16 0.09 0.01 -0.04 1.99 2.20 2z9nA1 GLU 14 HG2 0.12 -0.01 -0.06 -0.04 2.34 2.35 2z9nA1 GLU 14 HG3 0.06 0.01 0.07 -0.04 2.34 2.44 2z9nA1 TRP 15 H 0.05 0.21 0.11 -0.55 7.97 7.80 2z9nA1 TRP 15 HA 0.09 0.14 0.81 -0.75 4.62 4.90 2z9nA1 TRP 15 HB2 0.06 0.08 0.28 -0.04 3.23 3.61 2z9nA1 TRP 15 HB3 0.31 -0.05 0.09 -0.04 3.23 3.54 2z9nA1 TRP 15 HD1 0.18 0.08 -0.24 -0.04 7.22 7.20 2z9nA1 TRP 15 HE1 0.09 0.20 0.05 -0.04 10.20 10.50 2z9nA1 TRP 15 HE3 0.00 0.11 -0.03 -0.04 7.59 7.63 2z9nA1 TRP 15 HZ2 0.03 0.23 0.10 -0.04 7.44 7.76 2z9nA1 TRP 15 HZ3 0.00 -0.05 -0.19 -0.04 7.13 6.85 2z9nA1 TRP 15 HH2 0.03 -0.06 -0.02 -0.04 7.19 7.11 2z9nA1 ARG 16 H -0.11 -0.05 -0.52 -0.55 8.46 7.23 2z9nA1 ARG 16 HA -0.21 0.03 0.27 -0.75 4.34 3.68 2z9nA1 ARG 16 HB2 -0.00 0.04 0.07 -0.04 1.90 1.97 2z9nA1 ARG 16 HB3 -0.06 -0.02 0.04 -0.04 1.80 1.73 2z9nA1 ARG 16 HG2 -0.00 0.06 -0.22 -0.04 1.67 1.46 2z9nA1 ARG 16 HG3 0.06 0.00 -0.41 -0.04 1.67 1.28 2z9nA1 ARG 16 HD2 0.00 -0.02 -0.05 -0.04 3.22 3.11 2z9nA1 ARG 16 HD3 -0.00 0.00 -0.05 -0.04 3.22 3.13 2z9nA1 ALA 17 H -0.96 0.26 0.02 -0.55 8.40 7.17 2z9nA1 ALA 17 HA -0.58 0.06 0.53 -0.75 4.34 3.59 2z9nA1 ALA 17 HB3 -1.55 -0.04 0.08 -0.04 1.41 -0.14 2z9nA1 LEU 18 H -0.11 0.02 0.10 -0.55 8.37 7.82 2z9nA1 LEU 18 HA -0.08 0.10 0.48 -0.75 4.35 4.10 2z9nA1 LEU 18 HB2 -0.00 -0.01 -0.01 -0.04 1.64 1.58 2z9nA1 LEU 18 HB3 -0.02 0.02 0.10 -0.04 1.64 1.70 2z9nA1 LEU 18 HG -0.01 -0.01 0.01 -0.04 1.64 1.59 2z9nA1 LEU 18 HD13 0.04 -0.00 -0.02 -0.04 0.93 0.90 2z9nA1 LEU 18 HD23 -0.01 0.01 0.00 -0.04 0.89 0.85 2z9nA1 ALA 19 H -0.04 0.09 0.10 -0.55 8.40 8.00 2z9nA1 ALA 19 HA -0.06 0.04 0.52 -0.75 4.34 4.09 2z9nA1 ALA 19 HB3 -0.03 0.02 0.06 -0.04 1.41 1.42 2z9nA1 SER 20 H -0.03 0.07 0.17 -0.55 8.46 8.13 2z9nA1 SER 20 HA 0.02 0.15 0.57 -0.75 4.49 4.48 2z9nA1 SER 20 HB2 0.00 0.01 0.12 -0.04 3.95 4.05 2z9nA1 SER 20 HB3 -0.00 0.01 0.13 -0.04 3.93 4.02 2z9nA1 GLU 21 H 0.03 0.58 0.33 -0.55 8.60 8.99 2z9nA1 GLU 21 HA 0.01 0.19 0.85 -0.75 4.29 4.58 2z9nA1 GLU 21 HB2 0.03 -0.03 0.13 -0.04 2.09 2.18 2z9nA1 GLU 21 HB3 0.02 -0.05 0.14 -0.04 1.99 2.06 2z9nA1 GLU 21 HG2 0.01 0.04 -0.25 -0.04 2.34 2.11 2z9nA1 GLU 21 HG3 0.03 0.10 0.03 -0.04 2.34 2.46 2z9nA1 CYS 22 H 0.02 0.03 -0.04 -0.55 8.50 7.96 2z9nA1 CYS 22 HA 0.01 0.04 0.53 -0.75 4.58 4.40 2z9nA1 CYS 22 HB2 0.01 0.04 -0.00 -0.04 2.97 2.97 2z9nA1 CYS 22 HB3 -0.00 0.03 0.05 -0.04 2.97 3.01 2z9nA1 ARG 23 H 0.00 0.09 0.19 -0.55 8.46 8.18 2z9nA1 ARG 23 HA 0.01 0.20 0.69 -0.75 4.34 4.49 2z9nA1 ARG 23 HB2 0.01 0.05 -0.06 -0.04 1.90 1.85 2z9nA1 ARG 23 HB3 0.00 -0.03 0.11 -0.04 1.80 1.85 2z9nA1 ARG 23 HG2 0.01 -0.03 0.06 -0.04 1.67 1.66 2z9nA1 ARG 23 HG3 0.01 0.12 -0.06 -0.04 1.67 1.70 2z9nA1 ARG 23 HD2 0.01 -0.02 -0.02 -0.04 3.22 3.14 2z9nA1 ARG 23 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.13 2z9nA1 GLU 24 H -0.00 0.06 0.09 -0.55 8.60 8.20 2z9nA1 GLU 24 HA 0.00 0.15 0.82 -0.75 4.29 4.51 2z9nA1 GLU 24 HB2 -0.01 -0.10 0.13 -0.04 2.09 2.07 2z9nA1 GLU 24 HB3 -0.01 0.05 0.01 -0.04 1.99 1.99 2z9nA1 GLU 24 HG2 -0.01 0.06 0.08 -0.04 2.34 2.44 2z9nA1 GLU 24 HG3 -0.01 -0.02 0.03 -0.04 2.34 2.30 2z9nA1 ARG 25 H 0.01 0.14 0.15 -0.55 8.46 8.20 2z9nA1 ARG 25 HA 0.03 0.18 1.08 -0.75 4.34 4.88 2z9nA1 ARG 25 HB2 0.03 -0.06 0.01 -0.04 1.90 1.83 2z9nA1 ARG 25 HB3 0.04 0.20 0.07 -0.04 1.80 2.06 2z9nA1 ARG 25 HG2 0.02 -0.03 -0.45 -0.04 1.67 1.17 2z9nA1 ARG 25 HG3 0.02 -0.00 -0.11 -0.04 1.67 1.54 2z9nA1 ARG 25 HD2 0.04 0.02 -0.11 -0.04 3.22 3.13 2z9nA1 ARG 25 HD3 0.03 -0.04 -0.10 -0.04 3.22 3.07 2z9nA1 LEU 26 H 0.06 0.76 0.29 -0.55 8.37 8.93 2z9nA1 LEU 26 HA 0.06 0.07 0.65 -0.75 4.35 4.37 2z9nA1 LEU 26 HB2 0.11 0.14 -0.02 -0.04 1.64 1.83 2z9nA1 LEU 26 HB3 0.11 0.10 -0.13 -0.04 1.64 1.68 2z9nA1 LEU 26 HG 0.08 -0.16 -0.30 -0.04 1.64 1.22 2z9nA1 LEU 26 HD13 0.15 -0.01 -0.27 -0.04 0.93 0.76 2z9nA1 LEU 26 HD23 0.12 0.04 -0.09 -0.04 0.89 0.92 2z9nA1 THR 27 H 0.05 0.18 0.15 -0.55 8.28 8.11 2z9nA1 THR 27 HA 0.04 0.00 0.56 -0.75 4.39 4.24 2z9nA1 THR 27 HB 0.03 -0.03 0.06 -0.04 4.32 4.33 2z9nA1 THR 27 HG23 0.04 0.03 0.09 -0.04 1.22 1.33 2z9nA1 ARG 28 H 0.04 -0.00 0.10 -0.55 8.46 8.04 2z9nA1 ARG 28 HA 0.07 0.19 -0.25 -0.75 4.34 3.60 2z9nA1 ARG 28 HB2 0.03 -0.09 0.16 -0.04 1.90 1.95 2z9nA1 ARG 28 HB3 0.02 0.12 0.05 -0.04 1.80 1.94 2z9nA1 ARG 28 HG2 0.07 0.06 -0.08 -0.04 1.67 1.69 2z9nA1 ARG 28 HG3 0.06 0.00 0.02 -0.04 1.67 1.71 2z9nA1 ARG 28 HD2 0.06 -0.06 -0.06 -0.04 3.22 3.11 2z9nA1 ARG 28 HD3 0.03 -0.04 -0.02 -0.04 3.22 3.15 2z9nA1 PRO 29 HA 0.03 0.39 0.22 -0.51 4.44 4.58 2z9nA1 PRO 29 HB2 0.02 -0.11 -0.05 -0.04 2.28 2.10 2z9nA1 PRO 29 HB3 0.01 0.10 -0.18 -0.04 2.02 1.91 2z9nA1 PRO 29 HG2 0.01 -0.08 0.05 -0.04 2.03 1.97 2z9nA1 PRO 29 HG3 0.00 0.08 0.07 -0.04 2.03 2.13 2z9nA1 PRO 29 HD2 0.02 0.02 0.04 -0.04 3.68 3.72 2z9nA1 PRO 29 HD3 0.01 -0.00 0.15 -0.04 3.65 3.77 2z9nA1 VAL 30 H 0.08 0.77 0.54 -0.55 8.24 9.08 2z9nA1 VAL 30 HA 0.12 0.03 0.61 -0.75 4.13 4.14 2z9nA1 VAL 30 HB 0.18 -0.01 0.07 -0.04 2.12 2.32 2z9nA1 VAL 30 HG13 0.23 -0.06 -0.23 -0.04 0.97 0.88 2z9nA1 VAL 30 HG23 0.16 0.07 -0.06 -0.04 0.95 1.08 2z9nA1 ARG 31 H 0.13 0.22 0.22 -0.55 8.46 8.48 2z9nA1 ARG 31 HA 0.01 0.07 0.89 -0.75 4.34 4.56 2z9nA1 ARG 31 HB2 -0.08 0.04 0.02 -0.04 1.90 1.84 2z9nA1 ARG 31 HB3 -0.23 0.07 0.14 -0.04 1.80 1.73 2z9nA1 ARG 31 HG2 -0.77 -0.02 -0.06 -0.04 1.67 0.78 2z9nA1 ARG 31 HG3 -0.20 -0.01 0.03 -0.04 1.67 1.44 2z9nA1 ARG 31 HD2 -0.47 0.02 -0.01 -0.04 3.22 2.72 2z9nA1 ARG 31 HD3 -0.26 -0.02 -0.01 -0.04 3.22 2.89 2z9nA1 TYR 32 H 0.34 0.29 0.27 -0.55 8.29 8.64 2z9nA1 TYR 32 HA 0.27 0.25 1.24 -0.75 4.56 5.56 2z9nA1 TYR 32 HB2 0.42 0.02 0.09 -0.04 3.06 3.55 2z9nA1 TYR 32 HB3 0.35 0.04 0.06 -0.04 2.98 3.38 2z9nA1 TYR 32 HD2 0.26 0.21 0.09 -0.04 7.15 7.67 2z9nA1 TYR 32 HE2 0.13 -0.01 -0.00 -0.04 6.85 6.92 2z9nA1 VAL 33 H 0.34 0.61 0.23 -0.55 8.24 8.87 2z9nA1 VAL 33 HA 0.21 0.27 1.02 -0.75 4.13 4.87 2z9nA1 VAL 33 HB 0.24 -0.06 0.01 -0.04 2.12 2.27 2z9nA1 VAL 33 HG13 0.12 -0.02 -0.21 -0.04 0.97 0.82 2z9nA1 VAL 33 HG23 0.06 -0.01 -0.26 -0.04 0.95 0.70 2z9nA1 VAL 34 H 0.12 0.59 0.26 -0.55 8.24 8.66 2z9nA1 VAL 34 HA 0.08 0.34 0.93 -0.75 4.13 4.72 2z9nA1 VAL 34 HB 0.06 -0.09 0.00 -0.04 2.12 2.05 2z9nA1 VAL 34 HG13 0.05 0.02 -0.27 -0.04 0.97 0.74 2z9nA1 VAL 34 HG23 0.12 0.01 -0.20 -0.04 0.95 0.85 2z9nA1 VAL 35 H 0.08 0.56 0.29 -0.55 8.24 8.62 2z9nA1 VAL 35 HA 0.07 0.31 0.98 -0.75 4.13 4.74 2z9nA1 VAL 35 HB 0.01 -0.03 0.09 -0.04 2.12 2.15 2z9nA1 VAL 35 HG13 0.06 -0.03 -0.09 -0.04 0.97 0.87 2z9nA1 VAL 35 HG23 0.13 0.02 -0.13 -0.04 0.95 0.92 2z9nA1 SER 36 H 0.07 0.39 0.41 -0.55 8.46 8.79 2z9nA1 SER 36 HA -0.01 -0.04 0.77 -0.75 4.49 4.46 2z9nA1 SER 36 HB2 -0.02 0.00 0.12 -0.04 3.95 4.01 2z9nA1 SER 36 HB3 -0.27 0.09 -0.26 -0.04 3.93 3.45 2z9nA1 HIS 37 H 0.05 0.04 0.25 -0.55 8.41 8.21 2z9nA1 HIS 37 HA 0.14 0.39 1.08 -0.75 4.63 5.48 2z9nA1 HIS 37 HB2 0.26 0.38 0.45 -0.04 3.26 4.30 2z9nA1 HIS 37 HB3 0.26 0.11 0.12 -0.04 3.20 3.65 2z9nA1 HIS 37 HD2 0.12 0.11 -0.28 -0.04 6.97 6.88 2z9nA1 HIS 37 HE1 0.04 -0.00 -0.22 -0.04 7.75 7.52 2z9nA1 THR 38 H 0.10 0.16 0.36 -0.55 8.28 8.35 2z9nA1 THR 38 HA 0.19 0.29 0.88 -0.75 4.39 4.99 2z9nA1 THR 38 HB 0.03 0.07 0.04 -0.04 4.32 4.41 2z9nA1 THR 38 HG23 -0.10 0.04 -0.18 -0.04 1.22 0.93 2z9nA1 ALA 39 H -0.39 0.20 -0.00 -0.55 8.40 7.66 2z9nA1 ALA 39 HA -0.45 -0.12 0.24 -0.75 4.34 3.26 2z9nA1 ALA 39 HB3 -0.18 0.06 0.02 -0.04 1.41 1.27 2z9nA1 GLY 40 H -0.16 -0.12 -0.41 -0.55 8.43 7.20 2z9nA1 GLY 40 HA2 -0.12 0.26 0.72 -0.51 4.01 4.35 2z9nA1 GLY 40 HA3 -0.11 0.07 0.16 -0.51 4.01 3.63 2z9nA1 SER 41 H -0.12 0.16 0.10 -0.55 8.46 8.05 2z9nA1 SER 41 HA -0.16 0.03 0.52 -0.75 4.49 4.12 2z9nA1 SER 41 HB2 -0.13 -0.02 0.13 -0.04 3.95 3.89 2z9nA1 SER 41 HB3 -0.20 0.11 0.07 -0.04 3.93 3.87 2z9nA1 HIS 42 H -0.34 0.06 0.18 -0.55 8.41 7.77 2z9nA1 HIS 42 HA -0.06 0.33 0.67 -0.75 4.63 4.82 2z9nA1 HIS 42 HB2 -0.01 -0.09 0.23 -0.04 3.26 3.36 2z9nA1 HIS 42 HB3 -0.12 0.00 0.18 -0.04 3.20 3.22 2z9nA1 HIS 42 HD2 -0.01 -0.07 -0.20 -0.04 6.97 6.64 2z9nA1 HIS 42 HE1 -0.06 0.04 0.01 -0.04 7.75 7.70 2z9nA1 CYS 43 H 0.17 0.32 0.23 -0.55 8.50 8.67 2z9nA1 CYS 43 HA 0.01 0.11 0.52 -0.75 4.58 4.46 2z9nA1 CYS 43 HB2 -0.02 -0.18 -0.04 -0.04 2.97 2.69 2z9nA1 CYS 43 HB3 -0.06 0.24 -0.19 -0.04 2.97 2.92 2z9nA1 ASP 44 H 0.06 0.19 0.09 -0.55 8.40 8.19 2z9nA1 ASP 44 HA 0.07 0.16 0.79 -0.75 4.63 4.89 2z9nA1 ASP 44 HB2 0.05 0.10 0.18 -0.04 2.71 3.00 2z9nA1 ASP 44 HB3 0.08 0.03 -0.08 -0.04 2.70 2.69 2z9nA1 THR 45 H 0.04 0.08 0.01 -0.55 8.28 7.86 2z9nA1 THR 45 HA 0.04 0.38 0.84 -0.75 4.39 4.91 2z9nA1 THR 45 HB 0.03 0.13 0.15 -0.04 4.32 4.59 2z9nA1 THR 45 HG23 0.03 0.04 -0.15 -0.04 1.22 1.10 2z9nA1 PRO 46 HA 0.16 0.06 0.32 -0.51 4.44 4.47 2z9nA1 PRO 46 HB2 0.07 0.05 0.00 -0.04 2.28 2.36 2z9nA1 PRO 46 HB3 0.08 0.09 0.04 -0.04 2.02 2.19 2z9nA1 PRO 46 HG2 0.04 0.11 0.06 -0.04 2.03 2.20 2z9nA1 PRO 46 HG3 0.05 0.09 0.02 -0.04 2.03 2.16 2z9nA1 PRO 46 HD2 0.04 0.11 0.21 -0.04 3.68 4.01 2z9nA1 PRO 46 HD3 0.05 0.22 0.20 -0.04 3.65 4.07 2z9nA1 ALA 47 H 0.05 0.04 -0.40 -0.55 8.40 7.54 2z9nA1 ALA 47 HA 0.06 0.20 0.41 -0.75 4.34 4.27 2z9nA1 ALA 47 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 2z9nA1 SER 48 H 0.02 0.03 -0.02 -0.55 8.46 7.94 2z9nA1 SER 48 HA -0.02 0.14 0.42 -0.75 4.49 4.28 2z9nA1 SER 48 HB2 -0.03 0.10 0.11 -0.04 3.95 4.08 2z9nA1 SER 48 HB3 -0.01 0.06 0.16 -0.04 3.93 4.11 2z9nA1 CYS 49 H -0.01 0.56 -0.14 -0.55 8.50 8.37 2z9nA1 CYS 49 HA -0.21 -0.01 0.39 -0.75 4.58 4.01 2z9nA1 CYS 49 HB2 0.06 0.15 -0.07 -0.04 2.97 3.07 2z9nA1 CYS 49 HB3 -0.35 0.01 0.07 -0.04 2.97 2.65 2z9nA1 ALA 50 H -0.04 0.47 -0.77 -0.55 8.40 7.51 2z9nA1 ALA 50 HA -0.08 0.06 0.69 -0.75 4.34 4.26 2z9nA1 ALA 50 HB3 0.16 0.10 0.17 -0.04 1.41 1.80 2z9nA1 GLN 51 H -0.07 0.43 -0.03 -0.55 8.47 8.25 2z9nA1 GLN 51 HA 0.03 0.18 0.73 -0.75 4.36 4.54 2z9nA1 GLN 51 HB2 -0.01 0.04 0.17 -0.04 2.15 2.31 2z9nA1 GLN 51 HB3 -0.05 0.01 0.21 -0.04 2.02 2.15 2z9nA1 GLN 51 HG2 -0.02 -0.05 -0.04 -0.04 2.40 2.26 2z9nA1 GLN 51 HG3 0.01 0.04 0.07 -0.04 2.39 2.46 2z9nA1 GLN 51 HE21 -0.01 -0.00 -0.00 -0.04 6.97 6.92 2z9nA1 GLN 51 HE22 -0.02 -0.01 -0.01 -0.04 7.69 7.61 2z9nA1 GLN 52 H -0.14 0.47 0.19 -0.55 8.47 8.44 2z9nA1 GLN 52 HA -0.12 0.03 0.33 -0.75 4.36 3.84 2z9nA1 GLN 52 HB2 -0.20 -0.08 0.05 -0.04 2.15 1.88 2z9nA1 GLN 52 HB3 -0.19 0.01 -0.09 -0.04 2.02 1.72 2z9nA1 GLN 52 HG2 -0.11 -0.02 -0.07 -0.04 2.40 2.16 2z9nA1 GLN 52 HG3 -0.11 0.19 -0.15 -0.04 2.39 2.28 2z9nA1 GLN 52 HE21 -0.11 -0.04 0.04 -0.04 6.97 6.82 2z9nA1 GLN 52 HE22 -0.12 -0.00 0.04 -0.04 7.69 7.57 2z9nA1 ALA 53 H -0.39 0.18 -0.80 -0.55 8.40 6.84 2z9nA1 ALA 53 HA -0.54 0.01 0.40 -0.75 4.34 3.45 2z9nA1 ALA 53 HB3 -1.32 0.08 0.01 -0.04 1.41 0.14 2z9nA1 GLN 54 H 0.02 0.30 -0.17 -0.55 8.47 8.07 2z9nA1 GLN 54 HA 0.46 -0.03 0.34 -0.75 4.36 4.38 2z9nA1 GLN 54 HB2 0.10 0.01 0.19 -0.04 2.15 2.41 2z9nA1 GLN 54 HB3 0.16 -0.05 0.07 -0.04 2.02 2.16 2z9nA1 GLN 54 HG2 0.54 0.08 0.11 -0.04 2.40 3.09 2z9nA1 GLN 54 HG3 0.27 0.32 0.38 -0.04 2.39 3.32 2z9nA1 GLN 54 HE21 0.09 -0.12 -0.03 -0.04 6.97 6.87 2z9nA1 GLN 54 HE22 0.16 0.17 -0.00 -0.04 7.69 7.97 2z9nA1 ASN 55 H -0.02 0.69 -0.11 -0.55 8.53 8.54 2z9nA1 ASN 55 HA 0.01 0.01 0.36 -0.75 4.76 4.38 2z9nA1 ASN 55 HB2 -0.08 0.07 0.08 -0.04 2.88 2.91 2z9nA1 ASN 55 HB3 -0.07 -0.02 -0.02 -0.04 2.79 2.64 2z9nA1 ASN 55 HD21 -0.05 -0.02 -0.09 -0.04 7.03 6.83 2z9nA1 ASN 55 HD22 -0.08 -0.03 -0.06 -0.04 7.74 7.53 2z9nA1 VAL 56 H -0.08 0.47 -0.29 -0.55 8.24 7.78 2z9nA1 VAL 56 HA -0.10 0.02 0.49 -0.75 4.13 3.78 2z9nA1 VAL 56 HB -0.12 0.19 0.22 -0.04 2.12 2.38 2z9nA1 VAL 56 HG13 -0.06 -0.03 -0.08 -0.04 0.97 0.75 2z9nA1 VAL 56 HG23 -0.09 0.02 0.06 -0.04 0.95 0.90 2z9nA1 GLN 57 H 0.05 0.66 0.06 -0.55 8.47 8.69 2z9nA1 GLN 57 HA 0.14 -0.05 0.46 -0.75 4.36 4.15 2z9nA1 GLN 57 HB2 0.47 0.00 0.08 -0.04 2.15 2.66 2z9nA1 GLN 57 HB3 0.40 0.09 0.11 -0.04 2.02 2.57 2z9nA1 GLN 57 HG2 0.19 -0.02 -0.20 -0.04 2.40 2.33 2z9nA1 GLN 57 HG3 0.28 -0.14 0.04 -0.04 2.39 2.53 2z9nA1 GLN 57 HE21 -0.04 -0.05 0.05 -0.04 6.97 6.90 2z9nA1 GLN 57 HE22 0.09 0.02 -0.07 -0.04 7.69 7.68 2z9nA1 SER 58 H 0.10 0.83 -0.06 -0.55 8.46 8.79 2z9nA1 SER 58 HA 0.07 0.02 0.55 -0.75 4.49 4.37 2z9nA1 SER 58 HB2 0.05 -0.05 0.03 -0.04 3.95 3.94 2z9nA1 SER 58 HB3 0.07 0.01 0.09 -0.04 3.93 4.06 2z9nA1 TYR 59 H 0.12 0.50 -0.15 -0.55 8.29 8.20 2z9nA1 TYR 59 HA -0.04 0.00 0.42 -0.75 4.56 4.18 2z9nA1 TYR 59 HB2 -0.06 0.09 0.18 -0.04 3.06 3.22 2z9nA1 TYR 59 HB3 -0.13 0.10 0.19 -0.04 2.98 3.10 2z9nA1 TYR 59 HD2 -0.01 -0.00 -0.00 -0.04 7.15 7.09 2z9nA1 TYR 59 HE2 -0.02 0.00 -0.02 -0.04 6.85 6.77 2z9nA1 HIS 60 H 0.06 0.42 -0.25 -0.55 8.41 8.09 2z9nA1 HIS 60 HA -0.52 0.02 0.40 -0.75 4.63 3.78 2z9nA1 HIS 60 HB2 0.12 0.10 0.12 -0.04 3.26 3.55 2z9nA1 HIS 60 HB3 0.22 0.09 -0.04 -0.04 3.20 3.43 2z9nA1 HIS 60 HD2 -0.07 -0.01 -0.06 -0.04 6.97 6.78 2z9nA1 HIS 60 HE1 -0.26 -0.04 0.07 -0.04 7.75 7.48 2z9nA1 VAL 61 H 0.08 0.41 -0.20 -0.55 8.24 7.98 2z9nA1 VAL 61 HA 0.05 0.23 0.57 -0.75 4.13 4.23 2z9nA1 VAL 61 HB 0.05 -0.10 0.17 -0.04 2.12 2.20 2z9nA1 VAL 61 HG13 0.04 0.02 -0.17 -0.04 0.97 0.82 2z9nA1 VAL 61 HG23 0.13 0.07 -0.17 -0.04 0.95 0.93 2z9nA1 ARG 62 H -0.01 0.48 0.17 -0.55 8.46 8.55 2z9nA1 ARG 62 HA -0.03 0.07 0.43 -0.75 4.34 4.05 2z9nA1 ARG 62 HB2 -0.01 0.10 0.11 -0.04 1.90 2.06 2z9nA1 ARG 62 HB3 -0.02 -0.04 0.03 -0.04 1.80 1.74 2z9nA1 ARG 62 HG2 0.01 -0.05 0.10 -0.04 1.67 1.69 2z9nA1 ARG 62 HG3 0.01 -0.05 0.04 -0.04 1.67 1.64 2z9nA1 ARG 62 HD2 0.00 -0.03 0.01 -0.04 3.22 3.16 2z9nA1 ARG 62 HD3 -0.01 0.02 0.04 -0.04 3.22 3.24 2z9nA1 ASN 63 H -0.19 0.36 -0.12 -0.55 8.53 8.03 2z9nA1 ASN 63 HA -0.14 0.20 0.94 -0.75 4.76 5.01 2z9nA1 ASN 63 HB2 -0.56 0.20 0.14 -0.04 2.88 2.62 2z9nA1 ASN 63 HB3 -0.23 -0.05 0.06 -0.04 2.79 2.54 2z9nA1 ASN 63 HD21 0.13 -0.05 -0.02 -0.04 7.03 7.05 2z9nA1 ASN 63 HD22 0.22 0.00 0.09 -0.04 7.74 8.02 2z9nA1 LEU 64 H -0.44 0.26 -0.08 -0.55 8.37 7.57 2z9nA1 LEU 64 HA -0.40 0.14 0.82 -0.75 4.35 4.15 2z9nA1 LEU 64 HB2 -1.34 0.17 0.13 -0.04 1.64 0.56 2z9nA1 LEU 64 HB3 -1.26 -0.06 0.14 -0.04 1.64 0.42 2z9nA1 LEU 64 HG -0.93 0.07 -0.08 -0.04 1.64 0.66 2z9nA1 LEU 64 HD13 -1.12 -0.03 -0.01 -0.04 0.93 -0.28 2z9nA1 LEU 64 HD23 -0.45 0.01 -0.07 -0.04 0.89 0.34 2z9nA1 GLY 65 H -0.21 0.09 -0.35 -0.55 8.43 7.41 2z9nA1 GLY 65 HA2 -0.04 0.25 0.34 -0.51 4.01 4.05 2z9nA1 GLY 65 HA3 -0.04 -0.06 0.29 -0.51 4.01 3.69 2z9nA1 TRP 66 H -0.04 0.45 -0.00 -0.55 7.97 7.83 2z9nA1 TRP 66 HA -0.04 0.12 0.72 -0.75 4.62 4.66 2z9nA1 TRP 66 HB2 -0.05 0.06 -0.06 -0.04 3.23 3.15 2z9nA1 TRP 66 HB3 -0.05 -0.10 0.05 -0.04 3.23 3.09 2z9nA1 TRP 66 HD1 -0.06 0.11 -0.15 -0.04 7.22 7.08 2z9nA1 TRP 66 HE1 -0.07 -0.02 -0.00 -0.04 10.20 10.06 2z9nA1 TRP 66 HE3 -0.43 -0.00 0.04 -0.04 7.59 7.16 2z9nA1 TRP 66 HZ2 -0.09 -0.03 -0.02 -0.04 7.44 7.27 2z9nA1 TRP 66 HZ3 -0.89 -0.07 0.07 -0.04 7.13 6.19 2z9nA1 TRP 66 HH2 -0.17 -0.04 -0.03 -0.04 7.19 6.91 2z9nA1 CYS 67 H 0.14 0.13 0.11 -0.55 8.50 8.33 2z9nA1 CYS 67 HA 0.08 0.14 0.33 -0.75 4.58 4.38 2z9nA1 CYS 67 HB2 0.04 -0.20 -0.15 -0.04 2.97 2.61 2z9nA1 CYS 67 HB3 0.04 0.09 -0.01 -0.04 2.97 3.05 2z9nA1 ASP 68 H 0.19 0.25 -0.40 -0.55 8.40 7.90 2z9nA1 ASP 68 HA 0.13 0.09 0.30 -0.75 4.63 4.39 2z9nA1 ASP 68 HB2 0.06 0.02 -0.15 -0.04 2.71 2.60 2z9nA1 ASP 68 HB3 0.08 0.08 -0.20 -0.04 2.70 2.61 2z9nA1 VAL 69 H 0.22 0.10 0.05 -0.55 8.24 8.06 2z9nA1 VAL 69 HA 0.45 0.03 0.42 -0.75 4.13 4.26 2z9nA1 VAL 69 HB 0.32 -0.03 0.11 -0.04 2.12 2.49 2z9nA1 VAL 69 HG13 0.23 0.06 -0.07 -0.04 0.97 1.15 2z9nA1 VAL 69 HG23 0.27 -0.03 -0.10 -0.04 0.95 1.05 2z9nA1 GLY 70 H 1.00 0.06 0.16 -0.55 8.43 9.11 2z9nA1 GLY 70 HA2 -0.11 0.02 0.44 -0.51 4.01 3.85 2z9nA1 GLY 70 HA3 -0.30 0.07 0.40 -0.51 4.01 3.67 2z9nA1 TYR 71 H -0.08 -0.02 -0.11 -0.55 8.29 7.53 2z9nA1 TYR 71 HA 0.02 0.13 0.56 -0.75 4.56 4.52 2z9nA1 TYR 71 HB2 0.01 -0.08 -0.15 -0.04 3.06 2.81 2z9nA1 TYR 71 HB3 -0.05 0.25 -0.01 -0.04 2.98 3.13 2z9nA1 TYR 71 HD2 0.05 0.01 -0.14 -0.04 7.15 7.03 2z9nA1 TYR 71 HE2 0.12 0.02 -0.07 -0.04 6.85 6.88 2z9nA1 ASN 72 H 0.04 0.45 0.30 -0.55 8.53 8.77 2z9nA1 ASN 72 HA -0.15 -0.20 0.64 -0.75 4.76 4.29 2z9nA1 ASN 72 HB2 0.02 -0.05 -0.02 -0.04 2.88 2.79 2z9nA1 ASN 72 HB3 -0.30 0.11 -0.01 -0.04 2.79 2.56 2z9nA1 ASN 72 HD21 0.06 0.15 0.07 -0.04 7.03 7.26 2z9nA1 ASN 72 HD22 -0.04 0.53 -0.04 -0.04 7.74 8.14 2z9nA1 PHE 73 H 0.06 0.42 0.03 -0.55 8.34 8.29 2z9nA1 PHE 73 HA -0.08 0.08 0.73 -0.75 4.62 4.60 2z9nA1 PHE 73 HB2 -0.22 -0.07 -0.09 -0.04 3.15 2.73 2z9nA1 PHE 73 HB3 -0.19 0.09 -0.08 -0.04 3.06 2.84 2z9nA1 PHE 73 HD2 -0.32 -0.02 -0.30 -0.04 7.28 6.60 2z9nA1 PHE 73 HE2 -0.91 0.04 -0.23 -0.04 7.38 6.24 2z9nA1 PHE 73 HZ -1.79 -0.03 -0.08 -0.04 7.32 5.37 2z9nA1 LEU 74 H 0.03 0.87 0.30 -0.55 8.37 9.02 2z9nA1 LEU 74 HA -0.16 0.21 0.90 -0.75 4.35 4.54 2z9nA1 LEU 74 HB2 -0.12 -0.04 0.07 -0.04 1.64 1.50 2z9nA1 LEU 74 HB3 -0.18 -0.02 0.06 -0.04 1.64 1.46 2z9nA1 LEU 74 HG -0.31 -0.01 -0.05 -0.04 1.64 1.23 2z9nA1 LEU 74 HD13 -0.13 0.00 -0.05 -0.04 0.93 0.71 2z9nA1 LEU 74 HD23 -0.02 -0.01 -0.33 -0.04 0.89 0.49 2z9nA1 ILE 75 H -0.17 0.50 0.29 -0.55 8.25 8.32 2z9nA1 ILE 75 HA -0.08 0.19 1.12 -0.75 4.18 4.65 2z9nA1 ILE 75 HB -0.79 -0.07 -0.05 -0.04 1.89 0.93 2z9nA1 ILE 75 HG12 -0.20 0.16 -0.42 -0.04 1.49 0.98 2z9nA1 ILE 75 HG13 -0.38 -0.05 -0.45 -0.04 1.21 0.29 2z9nA1 ILE 75 HG23 -0.33 0.02 -0.19 -0.04 0.93 0.39 2z9nA1 ILE 75 HD13 -0.38 0.02 -0.19 -0.04 0.88 0.29 2z9nA1 GLY 76 H 0.06 0.60 0.28 -0.55 8.43 8.83 2z9nA1 GLY 76 HA2 0.06 0.16 0.85 -0.51 4.01 4.57 2z9nA1 GLY 76 HA3 0.13 0.01 0.39 -0.51 4.01 4.03 2z9nA1 GLU 77 H 0.11 0.30 0.32 -0.55 8.60 8.78 2z9nA1 GLU 77 HA 0.12 0.10 0.59 -0.75 4.29 4.34 2z9nA1 GLU 77 HB2 0.10 0.27 0.23 -0.04 2.09 2.66 2z9nA1 GLU 77 HB3 0.08 0.01 0.21 -0.04 1.99 2.24 2z9nA1 GLU 77 HG2 0.24 0.00 0.06 -0.04 2.34 2.60 2z9nA1 GLU 77 HG3 0.19 0.03 0.20 -0.04 2.34 2.73 2z9nA1 ASP 78 H 0.09 -0.03 -0.35 -0.55 8.40 7.57 2z9nA1 ASP 78 HA 0.06 0.20 0.37 -0.75 4.63 4.50 2z9nA1 ASP 78 HB2 0.07 0.07 -0.21 -0.04 2.71 2.60 2z9nA1 ASP 78 HB3 0.08 -0.14 -0.36 -0.04 2.70 2.24 2z9nA1 GLY 79 H 0.06 0.23 -0.70 -0.55 8.43 7.48 2z9nA1 GLY 79 HA2 0.03 0.08 -0.07 -0.51 4.01 3.54 2z9nA1 GLY 79 HA3 0.02 0.13 0.42 -0.51 4.01 4.07 2z9nA1 LEU 80 H 0.03 -0.06 -0.19 -0.55 8.37 7.61 2z9nA1 LEU 80 HA -0.07 0.30 0.93 -0.75 4.35 4.75 2z9nA1 LEU 80 HB2 -0.19 -0.09 -0.15 -0.04 1.64 1.17 2z9nA1 LEU 80 HB3 -0.20 0.07 -0.03 -0.04 1.64 1.44 2z9nA1 LEU 80 HG 0.01 -0.03 -0.41 -0.04 1.64 1.17 2z9nA1 LEU 80 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.76 2z9nA1 LEU 80 HD23 -0.03 0.07 -0.19 -0.04 0.89 0.70 2z9nA1 VAL 81 H -0.13 0.31 0.20 -0.55 8.24 8.06 2z9nA1 VAL 81 HA -0.08 0.10 0.86 -0.75 4.13 4.26 2z9nA1 VAL 81 HB -0.08 0.08 0.20 -0.04 2.12 2.27 2z9nA1 VAL 81 HG13 -0.03 0.00 -0.25 -0.04 0.97 0.65 2z9nA1 VAL 81 HG23 -0.13 0.00 -0.12 -0.04 0.95 0.66 2z9nA1 TYR 82 H 0.07 0.61 0.29 -0.55 8.29 8.71 2z9nA1 TYR 82 HA -0.02 0.17 0.93 -0.75 4.56 4.89 2z9nA1 TYR 82 HB2 -0.31 -0.11 0.07 -0.04 3.06 2.67 2z9nA1 TYR 82 HB3 -0.67 0.09 -0.04 -0.04 2.98 2.33 2z9nA1 TYR 82 HD2 -0.36 -0.01 -0.06 -0.04 7.15 6.68 2z9nA1 TYR 82 HE2 -0.01 -0.07 -0.10 -0.04 6.85 6.63 2z9nA1 GLU 83 H 0.24 0.57 0.22 -0.55 8.60 9.08 2z9nA1 GLU 83 HA -0.07 0.02 0.56 -0.75 4.29 4.05 2z9nA1 GLU 83 HB2 0.13 -0.01 -0.02 -0.04 2.09 2.14 2z9nA1 GLU 83 HB3 0.25 -0.08 0.20 -0.04 1.99 2.32 2z9nA1 GLU 83 HG2 -0.01 0.25 -0.33 -0.04 2.34 2.21 2z9nA1 GLU 83 HG3 -0.24 -0.04 -0.07 -0.04 2.34 1.95 2z9nA1 GLY 84 H -0.43 0.40 0.15 -0.55 8.43 8.01 2z9nA1 GLY 84 HA2 0.22 0.09 0.70 -0.51 4.01 4.51 2z9nA1 GLY 84 HA3 -0.01 0.11 0.12 -0.51 4.01 3.71 2z9nA1 ARG 85 H -0.12 0.21 0.29 -0.55 8.46 8.28 2z9nA1 ARG 85 HA -0.04 0.09 0.60 -0.75 4.34 4.23 2z9nA1 ARG 85 HB2 -0.06 0.02 -0.08 -0.04 1.90 1.74 2z9nA1 ARG 85 HB3 -0.03 -0.02 -0.07 -0.04 1.80 1.65 2z9nA1 ARG 85 HG2 0.03 -0.11 -0.16 -0.04 1.67 1.38 2z9nA1 ARG 85 HG3 0.02 0.16 -0.27 -0.04 1.67 1.54 2z9nA1 ARG 85 HD2 -0.00 0.00 -0.49 -0.04 3.22 2.69 2z9nA1 ARG 85 HD3 -0.00 -0.07 -0.23 -0.04 3.22 2.88 2z9nA1 GLY 86 H -0.69 0.42 0.06 -0.55 8.43 7.68 2z9nA1 GLY 86 HA2 -1.27 0.01 0.28 -0.51 4.01 2.52 2z9nA1 GLY 86 HA3 -0.29 0.04 0.39 -0.51 4.01 3.64 2z9nA1 TRP 87 H 0.05 0.10 0.10 -0.55 7.97 7.67 2z9nA1 TRP 87 HA 0.19 0.10 0.37 -0.75 4.62 4.53 2z9nA1 TRP 87 HB2 0.10 0.01 -0.02 -0.04 3.23 3.29 2z9nA1 TRP 87 HB3 0.10 0.08 0.02 -0.04 3.23 3.39 2z9nA1 TRP 87 HD1 0.16 0.01 -0.00 -0.04 7.22 7.34 2z9nA1 TRP 87 HE1 0.11 -0.00 -0.10 -0.04 10.20 10.17 2z9nA1 TRP 87 HE3 0.12 0.08 -0.10 -0.04 7.59 7.65 2z9nA1 TRP 87 HZ2 -0.28 0.03 -0.14 -0.04 7.44 7.01 2z9nA1 TRP 87 HZ3 -0.09 0.01 -0.13 -0.04 7.13 6.88 2z9nA1 TRP 87 HH2 -0.30 0.06 -0.18 -0.04 7.19 6.73 2z9nA1 ASN 88 H 0.17 -0.02 -0.18 -0.55 8.53 7.96 2z9nA1 ASN 88 HA 0.15 0.28 0.86 -0.75 4.76 5.30 2z9nA1 ASN 88 HB2 0.09 -0.03 0.07 -0.04 2.88 2.97 2z9nA1 ASN 88 HB3 0.08 0.01 -0.05 -0.04 2.79 2.78 2z9nA1 ASN 88 HD21 0.13 0.02 -0.04 -0.04 7.03 7.10 2z9nA1 ASN 88 HD22 0.12 -0.02 -0.01 -0.04 7.74 7.80 2z9nA1 ILE 89 H 0.04 0.17 -0.02 -0.55 8.25 7.89 2z9nA1 ILE 89 HA 0.03 0.14 0.68 -0.75 4.18 4.28 2z9nA1 ILE 89 HB 0.00 0.00 -0.02 -0.04 1.89 1.83 2z9nA1 ILE 89 HG12 0.02 -0.07 0.04 -0.04 1.49 1.45 2z9nA1 ILE 89 HG13 0.01 -0.02 -0.03 -0.04 1.21 1.13 2z9nA1 ILE 89 HG23 0.00 0.07 -0.09 -0.04 0.93 0.88 2z9nA1 ILE 89 HD13 0.02 -0.01 -0.24 -0.04 0.88 0.61 2z9nA1 LYS 90 H 0.02 0.41 0.12 -0.55 8.42 8.41 2z9nA1 LYS 90 HA 0.05 0.11 0.45 -0.75 4.32 4.17 2z9nA1 LYS 90 HB2 0.01 0.05 -0.14 -0.04 1.87 1.75 2z9nA1 LYS 90 HB3 -0.01 -0.09 -0.03 -0.04 1.79 1.61 2z9nA1 LYS 90 HG2 -0.07 -0.09 -0.40 -0.04 1.46 0.86 2z9nA1 LYS 90 HG3 -0.03 0.20 -0.08 -0.04 1.46 1.52 2z9nA1 LYS 90 HD2 -0.07 -0.11 -0.32 -0.04 1.69 1.15 2z9nA1 LYS 90 HD3 -0.02 0.03 -0.17 -0.04 1.68 1.48 2z9nA1 LYS 90 HE2 -0.03 -0.02 -0.10 -0.04 2.99 2.80 2z9nA1 LYS 90 HE3 -0.07 -0.06 -0.11 -0.04 2.99 2.71 2z9nA1 GLY 91 H 0.07 0.15 0.20 -0.55 8.43 8.30 2z9nA1 GLY 91 HA2 -0.04 0.13 0.62 -0.51 4.01 4.22 2z9nA1 GLY 91 HA3 0.07 0.03 0.31 -0.51 4.01 3.91 2z9nA1 ALA 92 H -0.23 0.37 0.17 -0.55 8.40 8.17 2z9nA1 ALA 92 HA -0.39 0.08 0.77 -0.75 4.34 4.04 2z9nA1 ALA 92 HB3 -1.00 -0.00 0.09 -0.04 1.41 0.46 2z9nA1 HIS 93 H -0.43 0.04 -0.01 -0.55 8.41 7.46 2z9nA1 HIS 93 HA -0.19 0.17 0.69 -0.75 4.63 4.55 2z9nA1 HIS 93 HB2 -0.04 -0.03 -0.07 -0.04 3.26 3.08 2z9nA1 HIS 93 HB3 -0.14 0.10 -0.55 -0.04 3.20 2.57 2z9nA1 HIS 93 HD2 -0.01 0.00 -0.18 -0.04 6.97 6.74 2z9nA1 HIS 93 HE1 0.12 0.05 -0.35 -0.04 7.75 7.52 2z9nA1 ALA 94 H -0.29 0.01 0.02 -0.55 8.40 7.60 2z9nA1 ALA 94 HA 0.19 0.16 0.48 -0.75 4.34 4.41 2z9nA1 ALA 94 HB3 0.16 0.05 -0.11 -0.04 1.41 1.46 2z9nA1 GLY 95 H -0.03 0.06 -0.03 -0.55 8.43 7.89 2z9nA1 GLY 95 HA2 0.01 0.09 0.39 -0.51 4.01 3.99 2z9nA1 GLY 95 HA3 0.08 0.22 0.62 -0.51 4.01 4.42 2z9nA1 PRO 96 HA -0.06 0.09 0.46 -0.51 4.44 4.42 2z9nA1 PRO 96 HB2 -0.03 0.08 0.03 -0.04 2.28 2.32 2z9nA1 PRO 96 HB3 -0.04 0.04 0.12 -0.04 2.02 2.10 2z9nA1 PRO 96 HG2 -0.01 0.05 0.07 -0.04 2.03 2.10 2z9nA1 PRO 96 HG3 -0.01 0.07 0.08 -0.04 2.03 2.13 2z9nA1 PRO 96 HD2 0.02 0.14 0.25 -0.04 3.68 4.04 2z9nA1 PRO 96 HD3 -0.01 0.14 0.19 -0.04 3.65 3.92 2z9nA1 THR 97 H 0.03 0.10 -0.24 -0.55 8.28 7.62 2z9nA1 THR 97 HA -0.12 0.16 0.63 -0.75 4.39 4.29 2z9nA1 THR 97 HB -0.08 -0.02 0.07 -0.04 4.32 4.25 2z9nA1 THR 97 HG23 0.11 0.01 0.03 -0.04 1.22 1.33 2z9nA1 TRP 98 H 0.13 0.19 -0.30 -0.55 7.97 7.46 2z9nA1 TRP 98 HA -0.07 0.24 0.96 -0.75 4.62 5.00 2z9nA1 TRP 98 HB2 -0.04 0.30 0.04 -0.04 3.23 3.48 2z9nA1 TRP 98 HB3 -0.02 -0.08 -0.09 -0.04 3.23 3.00 2z9nA1 TRP 98 HD1 -0.03 0.01 -0.03 -0.04 7.22 7.12 2z9nA1 TRP 98 HE1 -0.05 0.00 0.01 -0.04 10.20 10.11 2z9nA1 TRP 98 HE3 -0.11 -0.05 -0.07 -0.04 7.59 7.32 2z9nA1 TRP 98 HZ2 -0.12 -0.01 -0.02 -0.04 7.44 7.25 2z9nA1 TRP 98 HZ3 -1.07 -0.01 -0.05 -0.04 7.13 5.97 2z9nA1 TRP 98 HH2 -0.43 -0.00 -0.04 -0.04 7.19 6.68 2z9nA1 ASN 99 H 0.01 0.34 0.03 -0.55 8.53 8.36 2z9nA1 ASN 99 HA -0.20 0.02 0.39 -0.75 4.76 4.22 2z9nA1 ASN 99 HB2 -0.11 0.02 0.06 -0.04 2.88 2.81 2z9nA1 ASN 99 HB3 -0.16 0.18 0.03 -0.04 2.79 2.80 2z9nA1 ASN 99 HD21 -0.32 -0.21 0.07 -0.04 7.03 6.53 2z9nA1 ASN 99 HD22 -0.26 0.19 0.06 -0.04 7.74 7.69 2z9nA1 PRO 100 HA 0.02 0.15 0.62 -0.51 4.44 4.72 2z9nA1 PRO 100 HB2 -0.01 0.01 0.08 -0.04 2.28 2.32 2z9nA1 PRO 100 HB3 -0.03 -0.02 0.05 -0.04 2.02 1.98 2z9nA1 PRO 100 HG2 -0.06 0.07 -0.20 -0.04 2.03 1.80 2z9nA1 PRO 100 HG3 -0.06 0.07 -0.02 -0.04 2.03 1.98 2z9nA1 PRO 100 HD2 -0.04 -0.05 -0.61 -0.04 3.68 2.93 2z9nA1 PRO 100 HD3 -0.05 0.10 -0.02 -0.04 3.65 3.64 2z9nA1 ILE 101 H 0.09 0.31 -0.46 -0.55 8.25 7.64 2z9nA1 ILE 101 HA 0.13 0.23 0.91 -0.75 4.18 4.69 2z9nA1 ILE 101 HB 0.20 -0.08 0.22 -0.04 1.89 2.20 2z9nA1 ILE 101 HG12 -0.17 0.01 -0.08 -0.04 1.49 1.21 2z9nA1 ILE 101 HG13 -0.02 0.03 -0.11 -0.04 1.21 1.07 2z9nA1 ILE 101 HG23 0.02 -0.00 -0.12 -0.04 0.93 0.79 2z9nA1 ILE 101 HD13 -0.51 0.00 0.01 -0.04 0.88 0.34 2z9nA1 SER 102 H 0.22 0.31 -0.04 -0.55 8.46 8.40 2z9nA1 SER 102 HA 0.36 0.16 0.86 -0.75 4.49 5.12 2z9nA1 SER 102 HB2 0.42 -0.04 -0.21 -0.04 3.95 4.08 2z9nA1 SER 102 HB3 0.55 0.01 -0.30 -0.04 3.93 4.15 2z9nA1 ILE 103 H 0.27 0.66 0.40 -0.55 8.25 9.03 2z9nA1 ILE 103 HA 0.21 0.15 0.69 -0.75 4.18 4.48 2z9nA1 ILE 103 HB 0.23 0.08 0.09 -0.04 1.89 2.26 2z9nA1 ILE 103 HG12 0.50 -0.04 -0.12 -0.04 1.49 1.79 2z9nA1 ILE 103 HG13 0.23 -0.01 -0.06 -0.04 1.21 1.32 2z9nA1 ILE 103 HG23 0.11 -0.06 -0.26 -0.04 0.93 0.68 2z9nA1 ILE 103 HD13 0.30 0.07 -0.17 -0.04 0.88 1.04 2z9nA1 GLY 104 H -0.01 0.14 0.12 -0.55 8.43 8.13 2z9nA1 GLY 104 HA2 -0.32 0.32 1.03 -0.51 4.01 4.54 2z9nA1 GLY 104 HA3 -1.20 0.00 0.29 -0.51 4.01 2.59 2z9nA1 ILE 105 H -0.03 0.39 0.14 -0.55 8.25 8.20 2z9nA1 ILE 105 HA 0.01 0.21 0.85 -0.75 4.18 4.50 2z9nA1 ILE 105 HB -0.08 -0.02 -0.08 -0.04 1.89 1.66 2z9nA1 ILE 105 HG12 0.07 0.09 -0.03 -0.04 1.49 1.57 2z9nA1 ILE 105 HG13 0.03 -0.07 -0.31 -0.04 1.21 0.82 2z9nA1 ILE 105 HG23 -0.02 0.01 -0.21 -0.04 0.93 0.67 2z9nA1 ILE 105 HD13 0.10 -0.00 -0.14 -0.04 0.88 0.79 2z9nA1 SER 106 H -0.17 0.41 0.25 -0.55 8.46 8.41 2z9nA1 SER 106 HA -0.02 0.21 1.01 -0.75 4.49 4.94 2z9nA1 SER 106 HB2 -0.48 0.07 -0.28 -0.04 3.95 3.22 2z9nA1 SER 106 HB3 -1.08 -0.06 -0.02 -0.04 3.93 2.73 2z9nA1 PHE 107 H 0.44 0.41 0.32 -0.55 8.34 8.97 2z9nA1 PHE 107 HA -0.01 0.11 0.68 -0.75 4.62 4.64 2z9nA1 PHE 107 HB2 -0.08 -0.02 0.17 -0.04 3.15 3.17 2z9nA1 PHE 107 HB3 -0.10 0.00 -0.02 -0.04 3.06 2.90 2z9nA1 PHE 107 HD2 -0.12 0.01 -0.01 -0.04 7.28 7.12 2z9nA1 PHE 107 HE2 -0.00 0.01 -0.22 -0.04 7.38 7.13 2z9nA1 PHE 107 HZ 0.23 0.03 -0.06 -0.04 7.32 7.47 2z9nA1 MET 108 H 0.07 0.57 0.35 -0.55 8.47 8.92 2z9nA1 MET 108 HA 0.01 0.01 0.52 -0.75 4.52 4.31 2z9nA1 MET 108 HB2 -0.00 -0.10 0.25 -0.04 2.15 2.25 2z9nA1 MET 108 HB3 -0.07 0.07 0.02 -0.04 2.03 2.01 2z9nA1 MET 108 HG2 -0.15 0.06 -0.02 -0.04 2.63 2.47 2z9nA1 MET 108 HG3 -0.10 0.02 0.06 -0.04 2.56 2.50 2z9nA1 MET 108 HE3 -0.33 0.04 -0.34 -0.04 2.10 1.43 2z9nA1 GLY 109 H 0.05 0.03 0.34 -0.55 8.43 8.31 2z9nA1 GLY 109 HA2 -0.15 0.28 0.09 -0.51 4.01 3.71 2z9nA1 GLY 109 HA3 -0.39 0.13 0.44 -0.51 4.01 3.68 2z9nA1 ASN 110 H -0.33 0.35 0.09 -0.55 8.53 8.10 2z9nA1 ASN 110 HA -0.59 0.06 0.96 -0.75 4.76 4.43 2z9nA1 ASN 110 HB2 -0.25 -0.02 0.01 -0.04 2.88 2.58 2z9nA1 ASN 110 HB3 -0.19 0.10 0.18 -0.04 2.79 2.84 2z9nA1 ASN 110 HD21 -0.05 0.03 0.03 -0.04 7.03 7.00 2z9nA1 ASN 110 HD22 -0.09 0.07 0.08 -0.04 7.74 7.75 2z9nA1 TYR 111 H 0.20 0.29 -0.12 -0.55 8.29 8.12 2z9nA1 TYR 111 HA 0.01 0.16 0.45 -0.75 4.56 4.42 2z9nA1 TYR 111 HB2 0.08 0.18 0.23 -0.04 3.06 3.51 2z9nA1 TYR 111 HB3 -0.03 0.08 0.22 -0.04 2.98 3.21 2z9nA1 TYR 111 HD2 0.05 0.22 -0.10 -0.04 7.15 7.28 2z9nA1 TYR 111 HE2 0.06 0.03 -0.35 -0.04 6.85 6.55 2z9nA1 MET 112 H 0.02 0.51 -0.42 -0.55 8.47 8.03 2z9nA1 MET 112 HA 0.09 -0.15 0.54 -0.75 4.52 4.25 2z9nA1 MET 112 HB2 0.05 -0.02 0.03 -0.04 2.15 2.17 2z9nA1 MET 112 HB3 0.01 0.09 0.03 -0.04 2.03 2.12 2z9nA1 MET 112 HG2 0.03 0.06 0.02 -0.04 2.63 2.70 2z9nA1 MET 112 HG3 0.02 0.06 -0.02 -0.04 2.56 2.58 2z9nA1 MET 112 HE3 0.09 0.02 -0.02 -0.04 2.10 2.15 2z9nA1 ASN 113 H 0.01 0.19 -0.17 -0.55 8.53 8.01 2z9nA1 ASN 113 HA 0.02 0.11 0.43 -0.75 4.76 4.56 2z9nA1 ASN 113 HB2 -0.00 0.02 0.20 -0.04 2.88 3.07 2z9nA1 ASN 113 HB3 0.01 0.08 0.13 -0.04 2.79 2.96 2z9nA1 ASN 113 HD21 0.00 -0.00 -0.10 -0.04 7.03 6.89 2z9nA1 ASN 113 HD22 0.01 0.09 -0.11 -0.04 7.74 7.68 2z9nA1 ARG 114 H 0.05 0.25 -0.28 -0.55 8.46 7.94 2z9nA1 ARG 114 HA 0.01 0.11 0.47 -0.75 4.34 4.18 2z9nA1 ARG 114 HB2 -0.06 -0.12 -0.21 -0.04 1.90 1.48 2z9nA1 ARG 114 HB3 -0.02 0.00 -0.14 -0.04 1.80 1.60 2z9nA1 ARG 114 HG2 -0.05 0.04 0.07 -0.04 1.67 1.68 2z9nA1 ARG 114 HG3 -0.04 0.14 0.07 -0.04 1.67 1.80 2z9nA1 ARG 114 HD2 -0.11 0.01 -0.01 -0.04 3.22 3.08 2z9nA1 ARG 114 HD3 -0.12 -0.04 -0.05 -0.04 3.22 2.97 2z9nA1 VAL 115 H 0.03 0.16 0.05 -0.55 8.24 7.92 2z9nA1 VAL 115 HA 0.02 0.13 0.60 -0.75 4.13 4.12 2z9nA1 VAL 115 HB -0.03 0.15 -0.02 -0.04 2.12 2.18 2z9nA1 VAL 115 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.85 2z9nA1 VAL 115 HG23 0.00 -0.02 0.00 -0.04 0.95 0.90 2z9nA1 PRO 116 HA 0.16 0.07 0.46 -0.51 4.44 4.62 2z9nA1 PRO 116 HB2 -0.07 0.02 -0.04 -0.04 2.28 2.16 2z9nA1 PRO 116 HB3 -0.72 -0.02 0.03 -0.04 2.02 1.26 2z9nA1 PRO 116 HG2 -0.22 0.04 -0.00 -0.04 2.03 1.81 2z9nA1 PRO 116 HG3 -0.74 0.04 0.02 -0.04 2.03 1.31 2z9nA1 PRO 116 HD2 -0.19 0.11 0.15 -0.04 3.68 3.71 2z9nA1 PRO 116 HD3 -0.39 0.13 0.16 -0.04 3.65 3.50 2z9nA1 PRO 117 HA 0.03 0.19 0.47 -0.51 4.44 4.62 2z9nA1 PRO 117 HB2 0.04 -0.04 0.08 -0.04 2.28 2.32 2z9nA1 PRO 117 HB3 0.03 0.08 0.17 -0.04 2.02 2.26 2z9nA1 PRO 117 HG2 0.08 -0.17 0.13 -0.04 2.03 2.02 2z9nA1 PRO 117 HG3 0.07 0.18 0.23 -0.04 2.03 2.46 2z9nA1 PRO 117 HD2 0.13 0.03 0.22 -0.04 3.68 4.01 2z9nA1 PRO 117 HD3 0.08 0.17 0.23 -0.04 3.65 4.09 2z9nA1 PRO 118 HA 0.05 0.10 0.43 -0.51 4.44 4.51 2z9nA1 PRO 118 HB2 0.02 -0.01 0.13 -0.04 2.28 2.38 2z9nA1 PRO 118 HB3 0.03 0.08 0.09 -0.04 2.02 2.17 2z9nA1 PRO 118 HG2 0.02 0.07 0.10 -0.04 2.03 2.18 2z9nA1 PRO 118 HG3 0.02 0.10 0.10 -0.04 2.03 2.21 2z9nA1 PRO 118 HD2 0.02 0.09 0.23 -0.04 3.68 3.98 2z9nA1 PRO 118 HD3 0.02 0.20 0.21 -0.04 3.65 4.04 2z9nA1 ARG 119 H 0.03 0.17 -0.13 -0.55 8.46 7.98 2z9nA1 ARG 119 HA 0.02 0.08 0.30 -0.75 4.34 4.00 2z9nA1 ARG 119 HB2 0.02 0.07 0.03 -0.04 1.90 1.98 2z9nA1 ARG 119 HB3 0.02 0.03 0.08 -0.04 1.80 1.89 2z9nA1 ARG 119 HG2 0.04 -0.08 -0.02 -0.04 1.67 1.56 2z9nA1 ARG 119 HG3 0.05 -0.02 -0.22 -0.04 1.67 1.44 2z9nA1 ARG 119 HD2 0.04 -0.05 -0.75 -0.04 3.22 2.41 2z9nA1 ARG 119 HD3 0.03 0.01 -0.10 -0.04 3.22 3.11 2z9nA1 ALA 120 H 0.07 0.34 -0.57 -0.55 8.40 7.70 2z9nA1 ALA 120 HA 0.06 0.08 0.52 -0.75 4.34 4.25 2z9nA1 ALA 120 HB3 0.16 0.02 0.00 -0.04 1.41 1.56 2z9nA1 LEU 121 H 0.14 0.47 -0.01 -0.55 8.37 8.42 2z9nA1 LEU 121 HA 0.45 0.01 0.38 -0.75 4.35 4.44 2z9nA1 LEU 121 HB2 0.13 0.09 0.11 -0.04 1.64 1.93 2z9nA1 LEU 121 HB3 0.28 -0.00 0.01 -0.04 1.64 1.89 2z9nA1 LEU 121 HG 0.08 0.01 -0.11 -0.04 1.64 1.57 2z9nA1 LEU 121 HD13 0.03 0.00 -0.09 -0.04 0.93 0.83 2z9nA1 LEU 121 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 2z9nA1 ARG 122 H 0.07 0.58 -0.26 -0.55 8.46 8.30 2z9nA1 ARG 122 HA -0.02 0.02 0.37 -0.75 4.34 3.96 2z9nA1 ARG 122 HB2 0.02 0.01 -0.02 -0.04 1.90 1.87 2z9nA1 ARG 122 HB3 0.01 0.11 0.07 -0.04 1.80 1.96 2z9nA1 ARG 122 HG2 -0.02 0.02 -0.13 -0.04 1.67 1.50 2z9nA1 ARG 122 HG3 -0.02 -0.02 -0.00 -0.04 1.67 1.59 2z9nA1 ARG 122 HD2 -0.00 0.03 -0.01 -0.04 3.22 3.20 2z9nA1 ARG 122 HD3 -0.01 0.01 -0.03 -0.04 3.22 3.15 2z9nA1 ALA 123 H 0.02 0.32 -0.36 -0.55 8.40 7.83 2z9nA1 ALA 123 HA -0.04 0.04 0.33 -0.75 4.34 3.92 2z9nA1 ALA 123 HB3 -0.04 0.05 -0.02 -0.04 1.41 1.36 2z9nA1 ALA 124 H 0.01 0.48 -0.25 -0.55 8.40 8.10 2z9nA1 ALA 124 HA -0.12 -0.00 0.34 -0.75 4.34 3.81 2z9nA1 ALA 124 HB3 0.14 0.02 0.00 -0.04 1.41 1.52 2z9nA1 GLN 125 H -0.10 0.56 -0.08 -0.55 8.47 8.29 2z9nA1 GLN 125 HA -0.46 0.00 0.35 -0.75 4.36 3.50 2z9nA1 GLN 125 HB2 -0.22 0.08 0.16 -0.04 2.15 2.13 2z9nA1 GLN 125 HB3 -0.33 -0.01 -0.02 -0.04 2.02 1.62 2z9nA1 GLN 125 HG2 -1.34 -0.05 0.04 -0.04 2.40 1.01 2z9nA1 GLN 125 HG3 -0.72 0.07 0.09 -0.04 2.39 1.78 2z9nA1 GLN 125 HE21 -0.16 -0.01 -0.04 -0.04 6.97 6.72 2z9nA1 GLN 125 HE22 -0.95 -0.02 -0.01 -0.04 7.69 6.66 2z9nA1 ASN 126 H -0.11 0.54 -0.22 -0.55 8.53 8.19 2z9nA1 ASN 126 HA -0.09 0.03 0.43 -0.75 4.76 4.38 2z9nA1 ASN 126 HB2 -0.06 -0.03 0.11 -0.04 2.88 2.86 2z9nA1 ASN 126 HB3 -0.07 0.17 0.15 -0.04 2.79 3.01 2z9nA1 ASN 126 HD21 -0.03 -0.12 0.08 -0.04 7.03 6.92 2z9nA1 ASN 126 HD22 -0.04 0.02 0.03 -0.04 7.74 7.71 2z9nA1 LEU 127 H -0.10 0.41 -0.31 -0.55 8.37 7.82 2z9nA1 LEU 127 HA -0.06 -0.01 0.30 -0.75 4.35 3.83 2z9nA1 LEU 127 HB2 -0.18 0.01 0.05 -0.04 1.64 1.48 2z9nA1 LEU 127 HB3 -0.16 0.20 0.18 -0.04 1.64 1.82 2z9nA1 LEU 127 HG -0.27 0.01 -0.49 -0.04 1.64 0.85 2z9nA1 LEU 127 HD13 -0.70 -0.02 -0.12 -0.04 0.93 0.05 2z9nA1 LEU 127 HD23 -0.60 -0.02 -0.17 -0.04 0.89 0.06 2z9nA1 LEU 128 H -0.12 0.54 -0.11 -0.55 8.37 8.14 2z9nA1 LEU 128 HA -0.01 -0.01 0.36 -0.75 4.35 3.94 2z9nA1 LEU 128 HB2 -0.24 0.15 0.04 -0.04 1.64 1.55 2z9nA1 LEU 128 HB3 -0.67 -0.01 -0.03 -0.04 1.64 0.89 2z9nA1 LEU 128 HG -0.09 0.14 -0.04 -0.04 1.64 1.60 2z9nA1 LEU 128 HD13 -0.08 -0.01 -0.11 -0.04 0.93 0.69 2z9nA1 LEU 128 HD23 -0.07 -0.03 -0.14 -0.04 0.89 0.62 2z9nA1 ALA 129 H -0.11 0.38 -0.42 -0.55 8.40 7.71 2z9nA1 ALA 129 HA -0.05 -0.01 0.38 -0.75 4.34 3.90 2z9nA1 ALA 129 HB3 -0.07 0.09 0.15 -0.04 1.41 1.54 2z9nA1 CYS 130 H -0.04 0.62 -0.08 -0.55 8.50 8.44 2z9nA1 CYS 130 HA -0.08 0.03 0.34 -0.75 4.58 4.11 2z9nA1 CYS 130 HB2 0.01 0.08 -0.51 -0.04 2.97 2.51 2z9nA1 CYS 130 HB3 0.08 0.17 0.03 -0.04 2.97 3.22 2z9nA1 GLY 131 H -0.09 0.47 -0.37 -0.55 8.43 7.89 2z9nA1 GLY 131 HA2 -1.74 -0.10 0.26 -0.51 4.01 1.92 2z9nA1 GLY 131 HA3 -0.52 0.05 0.27 -0.51 4.01 3.30 2z9nA1 VAL 132 H -0.17 0.51 -0.21 -0.55 8.24 7.82 2z9nA1 VAL 132 HA -0.11 0.17 0.36 -0.75 4.13 3.80 2z9nA1 VAL 132 HB -0.03 0.06 0.16 -0.04 2.12 2.27 2z9nA1 VAL 132 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 2z9nA1 VAL 132 HG23 0.12 0.08 -0.04 -0.04 0.95 1.06 2z9nA1 ALA 133 H -0.11 0.44 0.03 -0.55 8.40 8.22 2z9nA1 ALA 133 HA -0.07 -0.03 0.37 -0.75 4.34 3.85 2z9nA1 ALA 133 HB3 -0.08 -0.04 0.06 -0.04 1.41 1.32 2z9nA1 LEU 134 H -0.25 0.78 -0.22 -0.55 8.37 8.14 2z9nA1 LEU 134 HA -0.14 -0.02 0.40 -0.75 4.35 3.83 2z9nA1 LEU 134 HB2 -0.41 0.16 0.00 -0.04 1.64 1.35 2z9nA1 LEU 134 HB3 -0.56 -0.09 -0.07 -0.04 1.64 0.88 2z9nA1 LEU 134 HG -0.11 -0.08 -0.02 -0.04 1.64 1.38 2z9nA1 LEU 134 HD13 -0.26 -0.03 -0.06 -0.04 0.93 0.54 2z9nA1 LEU 134 HD23 -0.09 0.01 0.04 -0.04 0.89 0.81 2z9nA1 GLY 135 H -0.24 0.44 -0.29 -0.55 8.43 7.80 2z9nA1 GLY 135 HA2 -0.11 0.08 0.34 -0.51 4.01 3.81 2z9nA1 GLY 135 HA3 -0.10 0.06 0.71 -0.51 4.01 4.16 2z9nA1 ALA 136 H -0.43 0.21 -0.01 -0.55 8.40 7.63 2z9nA1 ALA 136 HA -0.07 0.09 0.42 -0.75 4.34 4.03 2z9nA1 ALA 136 HB3 -0.31 -0.02 0.01 -0.04 1.41 1.05 2z9nA1 LEU 137 H -0.23 0.23 -0.21 -0.55 8.37 7.61 2z9nA1 LEU 137 HA 0.06 0.32 0.84 -0.75 4.35 4.81 2z9nA1 LEU 137 HB2 -0.08 -0.03 -0.21 -0.04 1.64 1.29 2z9nA1 LEU 137 HB3 0.07 0.03 -0.02 -0.04 1.64 1.68 2z9nA1 LEU 137 HG -0.03 -0.10 -0.15 -0.04 1.64 1.31 2z9nA1 LEU 137 HD13 -0.30 0.01 -0.07 -0.04 0.93 0.53 2z9nA1 LEU 137 HD23 0.17 0.01 -0.20 -0.04 0.89 0.83 2z9nA1 ARG 138 H 0.10 0.36 0.14 -0.55 8.46 8.51 2z9nA1 ARG 138 HA 0.03 0.13 0.41 -0.75 4.34 4.15 2z9nA1 ARG 138 HB2 0.07 0.01 -0.17 -0.04 1.90 1.77 2z9nA1 ARG 138 HB3 0.03 -0.17 0.03 -0.04 1.80 1.65 2z9nA1 ARG 138 HG2 0.02 0.03 -0.12 -0.04 1.67 1.56 2z9nA1 ARG 138 HG3 0.03 0.17 -0.28 -0.04 1.67 1.55 2z9nA1 ARG 138 HD2 -0.02 0.04 -0.10 -0.04 3.22 3.10 2z9nA1 ARG 138 HD3 -0.02 0.02 -0.10 -0.04 3.22 3.08 2z9nA1 SER 139 H 0.03 0.15 0.14 -0.55 8.46 8.23 2z9nA1 SER 139 HA 0.08 0.11 0.43 -0.75 4.49 4.36 2z9nA1 SER 139 HB2 0.02 0.01 0.09 -0.04 3.95 4.03 2z9nA1 SER 139 HB3 0.01 0.03 0.12 -0.04 3.93 4.06 2z9nA1 ASN 140 H 0.03 -0.02 -0.29 -0.55 8.53 7.70 2z9nA1 ASN 140 HA -0.09 0.26 0.85 -0.75 4.76 5.03 2z9nA1 ASN 140 HB2 -0.10 0.06 0.13 -0.04 2.88 2.93 2z9nA1 ASN 140 HB3 -0.06 -0.05 -0.03 -0.04 2.79 2.61 2z9nA1 ASN 140 HD21 -0.03 -0.02 -0.00 -0.04 7.03 6.94 2z9nA1 ASN 140 HD22 -0.05 0.01 0.02 -0.04 7.74 7.68 2z9nA1 TYR 141 H 0.17 0.29 -0.53 -0.55 8.29 7.66 2z9nA1 TYR 141 HA 0.02 0.13 0.42 -0.75 4.56 4.37 2z9nA1 TYR 141 HB2 0.11 -0.05 -0.12 -0.04 3.06 2.95 2z9nA1 TYR 141 HB3 0.06 0.06 0.01 -0.04 2.98 3.07 2z9nA1 TYR 141 HD2 0.08 0.13 -0.31 -0.04 7.15 7.01 2z9nA1 TYR 141 HE2 -0.14 -0.05 -0.13 -0.04 6.85 6.50 2z9nA1 GLU 142 H 0.21 0.56 0.35 -0.55 8.60 9.17 2z9nA1 GLU 142 HA 0.18 0.36 1.03 -0.75 4.29 5.10 2z9nA1 GLU 142 HB2 0.07 -0.03 0.21 -0.04 2.09 2.30 2z9nA1 GLU 142 HB3 0.19 -0.03 0.01 -0.04 1.99 2.12 2z9nA1 GLU 142 HG2 0.02 0.05 -0.02 -0.04 2.34 2.36 2z9nA1 GLU 142 HG3 -0.02 0.18 -0.23 -0.04 2.34 2.23 2z9nA1 VAL 143 H 0.40 0.33 -0.05 -0.55 8.24 8.37 2z9nA1 VAL 143 HA 0.35 0.11 0.67 -0.75 4.13 4.51 2z9nA1 VAL 143 HB 0.54 -0.03 -0.10 -0.04 2.12 2.49 2z9nA1 VAL 143 HG13 0.37 -0.02 -0.18 -0.04 0.97 1.11 2z9nA1 VAL 143 HG23 0.67 -0.01 -0.11 -0.04 0.95 1.46 2z9nA1 LYS 144 H 0.21 0.79 0.50 -0.55 8.42 9.36 2z9nA1 LYS 144 HA 0.06 0.14 0.92 -0.75 4.32 4.68 2z9nA1 LYS 144 HB2 0.08 0.07 -0.10 -0.04 1.87 1.87 2z9nA1 LYS 144 HB3 -0.05 -0.04 0.05 -0.04 1.79 1.71 2z9nA1 LYS 144 HG2 -0.21 0.10 -0.06 -0.04 1.46 1.25 2z9nA1 LYS 144 HG3 -0.10 0.04 0.10 -0.04 1.46 1.45 2z9nA1 LYS 144 HD2 -0.92 -0.04 -0.08 -0.04 1.69 0.61 2z9nA1 LYS 144 HD3 -0.39 0.01 -0.11 -0.04 1.68 1.15 2z9nA1 LYS 144 HE2 0.22 0.02 -0.06 -0.04 2.99 3.13 2z9nA1 LYS 144 HE3 0.29 -0.04 -0.04 -0.04 2.99 3.16 2z9nA1 GLY 145 H 0.37 0.19 0.17 -0.55 8.43 8.61 2z9nA1 GLY 145 HA2 0.17 0.08 0.64 -0.51 4.01 4.39 2z9nA1 GLY 145 HA3 0.35 0.02 0.39 -0.51 4.01 4.26 2z9nA1 HIS 146 H 0.07 0.28 0.26 -0.55 8.41 8.47 2z9nA1 HIS 146 HA -0.08 0.10 0.44 -0.75 4.63 4.32 2z9nA1 HIS 146 HB2 -0.02 0.26 0.11 -0.04 3.26 3.57 2z9nA1 HIS 146 HB3 -0.10 -0.07 -0.17 -0.04 3.20 2.81 2z9nA1 HIS 146 HD2 -0.01 -0.01 0.00 -0.04 6.97 6.91 2z9nA1 HIS 146 HE1 0.12 -0.04 -0.06 -0.04 7.75 7.73 2z9nA1 ARG 147 H -0.20 0.20 0.02 -0.55 8.46 7.93 2z9nA1 ARG 147 HA -0.27 0.26 0.49 -0.75 4.34 4.07 2z9nA1 ARG 147 HB2 -0.27 -0.07 0.16 -0.04 1.90 1.69 2z9nA1 ARG 147 HB3 -0.31 0.29 0.14 -0.04 1.80 1.88 2z9nA1 ARG 147 HG2 -0.80 -0.08 0.11 -0.04 1.67 0.86 2z9nA1 ARG 147 HG3 -0.55 -0.00 -0.24 -0.04 1.67 0.84 2z9nA1 ARG 147 HD2 -1.82 -0.05 -0.05 -0.04 3.22 1.27 2z9nA1 ARG 147 HD3 -0.44 -0.02 -0.03 -0.04 3.22 2.70 2z9nA1 ASP 148 H -0.12 0.08 -0.98 -0.55 8.40 6.84 2z9nA1 ASP 148 HA -0.06 0.10 0.60 -0.75 4.63 4.52 2z9nA1 ASP 148 HB2 -0.06 0.23 0.05 -0.04 2.71 2.89 2z9nA1 ASP 148 HB3 -0.04 0.03 0.07 -0.04 2.70 2.71 2z9nA1 VAL 149 H -0.24 0.41 -0.13 -0.55 8.24 7.74 2z9nA1 VAL 149 HA -0.30 0.16 0.85 -0.75 4.13 4.08 2z9nA1 VAL 149 HB -1.30 -0.03 0.10 -0.04 2.12 0.86 2z9nA1 VAL 149 HG13 -1.61 -0.00 -0.11 -0.04 0.97 -0.79 2z9nA1 VAL 149 HG23 -0.23 0.01 0.01 -0.04 0.95 0.69 2z9nA1 GLN 150 H -0.18 0.27 -0.18 -0.55 8.47 7.84 2z9nA1 GLN 150 HA -0.05 0.04 0.20 -0.75 4.36 3.80 2z9nA1 GLN 150 HB2 -0.03 -0.06 0.07 -0.04 2.15 2.10 2z9nA1 GLN 150 HB3 -0.01 0.37 0.20 -0.04 2.02 2.54 2z9nA1 GLN 150 HG2 -0.17 0.02 -0.24 -0.04 2.40 1.97 2z9nA1 GLN 150 HG3 -0.19 -0.05 -0.33 -0.04 2.39 1.78 2z9nA1 GLN 150 HE21 0.14 -0.18 -0.24 -0.04 6.97 6.65 2z9nA1 GLN 150 HE22 0.24 0.03 -0.16 -0.04 7.69 7.75 2z9nA1 PRO 151 HA -0.08 0.05 0.41 -0.51 4.44 4.30 2z9nA1 PRO 151 HB2 -0.03 -0.01 0.20 -0.04 2.28 2.40 2z9nA1 PRO 151 HB3 -0.03 0.00 0.09 -0.04 2.02 2.04 2z9nA1 PRO 151 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 2z9nA1 PRO 151 HG3 -0.03 0.06 0.06 -0.04 2.03 2.09 2z9nA1 PRO 151 HD2 -0.03 0.10 0.14 -0.04 3.68 3.85 2z9nA1 PRO 151 HD3 -0.03 0.18 0.13 -0.04 3.65 3.89 2z9nA1 THR 152 H -0.15 0.43 0.39 -0.55 8.28 8.40 2z9nA1 THR 152 HA -0.06 0.06 0.58 -0.75 4.39 4.22 2z9nA1 THR 152 HB -0.07 0.13 0.01 -0.04 4.32 4.35 2z9nA1 THR 152 HG23 -0.55 0.02 -0.35 -0.04 1.22 0.30 2z9nA1 LEU 153 H -0.01 0.14 0.17 -0.55 8.37 8.12 2z9nA1 LEU 153 HA -0.09 0.18 0.57 -0.75 4.35 4.26 2z9nA1 LEU 153 HB2 0.05 -0.04 0.09 -0.04 1.64 1.70 2z9nA1 LEU 153 HB3 0.00 -0.09 0.08 -0.04 1.64 1.59 2z9nA1 LEU 153 HG 0.01 -0.01 0.05 -0.04 1.64 1.65 2z9nA1 LEU 153 HD13 -0.03 0.02 -0.02 -0.04 0.93 0.86 2z9nA1 LEU 153 HD23 0.01 0.00 0.05 -0.04 0.89 0.92 2z9nA1 SER 154 H -0.03 0.05 -0.14 -0.55 8.46 7.80 2z9nA1 SER 154 HA -0.66 -0.12 0.40 -0.75 4.49 3.35 2z9nA1 SER 154 HB2 0.18 0.05 0.09 -0.04 3.95 4.22 2z9nA1 SER 154 HB3 0.19 0.12 -0.03 -0.04 3.93 4.17 2z9nA1 PRO 155 HA -0.65 -0.15 0.39 -0.51 4.44 3.53 2z9nA1 PRO 155 HB2 -0.14 0.04 -0.02 -0.04 2.28 2.12 2z9nA1 PRO 155 HB3 -0.07 0.04 -0.07 -0.04 2.02 1.88 2z9nA1 PRO 155 HG2 -0.11 0.04 -0.14 -0.04 2.03 1.77 2z9nA1 PRO 155 HG3 -0.06 0.08 -0.06 -0.04 2.03 1.94 2z9nA1 PRO 155 HD2 -0.19 0.17 0.38 -0.04 3.68 4.00 2z9nA1 PRO 155 HD3 -0.06 -0.13 0.29 -0.04 3.65 3.70 2z9nA1 GLY 156 H -0.30 0.42 -0.01 -0.55 8.43 8.00 2z9nA1 GLY 156 HA2 0.08 -0.04 0.19 -0.51 4.01 3.73 2z9nA1 GLY 156 HA3 0.14 0.16 0.51 -0.51 4.01 4.31 2z9nA1 ASP 157 H 0.03 0.13 0.19 -0.55 8.40 8.21 2z9nA1 ASP 157 HA 0.04 0.09 0.40 -0.75 4.63 4.41 2z9nA1 ASP 157 HB2 0.02 0.18 0.29 -0.04 2.71 3.16 2z9nA1 ASP 157 HB3 0.02 0.03 0.06 -0.04 2.70 2.77 2z9nA1 ARG 158 H 0.03 0.26 -0.08 -0.55 8.46 8.11 2z9nA1 ARG 158 HA -0.03 0.12 0.45 -0.75 4.34 4.13 2z9nA1 ARG 158 HB2 0.02 0.00 -0.16 -0.04 1.90 1.72 2z9nA1 ARG 158 HB3 -0.02 0.01 -0.08 -0.04 1.80 1.67 2z9nA1 ARG 158 HG2 -0.01 0.05 -0.05 -0.04 1.67 1.62 2z9nA1 ARG 158 HG3 0.01 0.09 -0.03 -0.04 1.67 1.70 2z9nA1 ARG 158 HD2 0.01 -0.07 -0.12 -0.04 3.22 2.99 2z9nA1 ARG 158 HD3 -0.00 -0.03 -0.14 -0.04 3.22 3.01 2z9nA1 LEU 159 H -0.03 0.25 -0.32 -0.55 8.37 7.73 2z9nA1 LEU 159 HA -0.27 0.08 0.54 -0.75 4.35 3.94 2z9nA1 LEU 159 HB2 -0.30 -0.06 0.13 -0.04 1.64 1.37 2z9nA1 LEU 159 HB3 -0.13 0.28 0.09 -0.04 1.64 1.84 2z9nA1 LEU 159 HG -0.38 -0.02 -0.26 -0.04 1.64 0.93 2z9nA1 LEU 159 HD13 -0.90 -0.02 0.04 -0.04 0.93 0.01 2z9nA1 LEU 159 HD23 -0.51 0.06 0.04 -0.04 0.89 0.43 2z9nA1 TYR 160 H -0.01 0.66 -0.11 -0.55 8.29 8.28 2z9nA1 TYR 160 HA -0.30 0.01 0.46 -0.75 4.56 3.97 2z9nA1 TYR 160 HB2 -0.15 -0.00 0.01 -0.04 3.06 2.87 2z9nA1 TYR 160 HB3 -0.13 0.10 0.11 -0.04 2.98 3.02 2z9nA1 TYR 160 HD2 -0.12 -0.03 0.01 -0.04 7.15 6.97 2z9nA1 TYR 160 HE2 0.04 -0.03 -0.00 -0.04 6.85 6.81 2z9nA1 GLU 161 H -0.05 0.62 -0.07 -0.55 8.60 8.56 2z9nA1 GLU 161 HA -0.23 0.02 0.32 -0.75 4.29 3.65 2z9nA1 GLU 161 HB2 -0.05 0.15 0.15 -0.04 2.09 2.30 2z9nA1 GLU 161 HB3 -0.09 0.06 0.10 -0.04 1.99 2.02 2z9nA1 GLU 161 HG2 -0.10 0.00 0.06 -0.04 2.34 2.26 2z9nA1 GLU 161 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.22 2z9nA1 ILE 162 H -0.25 0.12 -0.92 -0.55 8.25 6.65 2z9nA1 ILE 162 HA -0.18 0.11 0.60 -0.75 4.18 3.95 2z9nA1 ILE 162 HB -0.29 0.12 0.14 -0.04 1.89 1.82 2z9nA1 ILE 162 HG12 -0.09 -0.06 -0.01 -0.04 1.49 1.29 2z9nA1 ILE 162 HG13 -0.13 0.31 0.08 -0.04 1.21 1.43 2z9nA1 ILE 162 HG23 -0.12 -0.03 -0.13 -0.04 0.93 0.61 2z9nA1 ILE 162 HD13 -0.11 -0.06 -0.00 -0.04 0.88 0.67 2z9nA1 ILE 163 H -0.56 0.41 0.03 -0.55 8.25 7.58 2z9nA1 ILE 163 HA -1.49 0.04 0.55 -0.75 4.18 2.52 2z9nA1 ILE 163 HB -0.96 -0.04 0.05 -0.04 1.89 0.91 2z9nA1 ILE 163 HG12 -0.55 0.11 0.26 -0.04 1.49 1.27 2z9nA1 ILE 163 HG13 -0.92 0.07 -0.24 -0.04 1.21 0.09 2z9nA1 ILE 163 HG23 -0.97 0.08 0.04 -0.04 0.93 0.04 2z9nA1 ILE 163 HD13 -0.08 -0.03 -0.07 -0.04 0.88 0.65 2z9nA1 GLN 164 H -0.65 0.36 -0.33 -0.55 8.47 7.31 2z9nA1 GLN 164 HA -1.23 0.08 0.40 -0.75 4.36 2.85 2z9nA1 GLN 164 HB2 -0.41 0.09 -0.04 -0.04 2.15 1.75 2z9nA1 GLN 164 HB3 -0.29 -0.01 0.03 -0.04 2.02 1.71 2z9nA1 GLN 164 HG2 -0.88 0.01 -0.02 -0.04 2.40 1.46 2z9nA1 GLN 164 HG3 -1.20 0.06 -0.02 -0.04 2.39 1.19 2z9nA1 GLN 164 HE21 -0.14 -0.04 -0.05 -0.04 6.97 6.69 2z9nA1 GLN 164 HE22 -0.19 0.03 -0.05 -0.04 7.69 7.44 2z9nA1 THR 165 H -0.21 0.21 -0.63 -0.55 8.28 7.10 2z9nA1 THR 165 HA 0.02 0.15 0.66 -0.75 4.39 4.47 2z9nA1 THR 165 HB 0.05 -0.06 0.08 -0.04 4.32 4.35 2z9nA1 THR 165 HG23 -0.06 -0.01 -0.02 -0.04 1.22 1.09 2z9nA1 TRP 166 H 0.14 0.28 -0.26 -0.55 7.97 7.58 2z9nA1 TRP 166 HA 0.04 -0.02 0.41 -0.75 4.62 4.29 2z9nA1 TRP 166 HB2 0.09 0.28 0.19 -0.04 3.23 3.75 2z9nA1 TRP 166 HB3 0.13 -0.16 0.03 -0.04 3.23 3.20 2z9nA1 TRP 166 HD1 -0.01 0.00 -0.05 -0.04 7.22 7.12 2z9nA1 TRP 166 HE1 -0.02 -0.02 -0.04 -0.04 10.20 10.08 2z9nA1 TRP 166 HE3 0.16 0.01 -0.04 -0.04 7.59 7.68 2z9nA1 TRP 166 HZ2 0.09 -0.03 0.00 -0.04 7.44 7.46 2z9nA1 TRP 166 HZ3 0.12 0.00 -0.11 -0.04 7.13 7.10 2z9nA1 TRP 166 HH2 0.22 -0.07 -0.09 -0.04 7.19 7.21 2z9nA1 SER 167 H 0.15 0.07 0.18 -0.55 8.46 8.32 2z9nA1 SER 167 HA 0.11 0.13 0.39 -0.75 4.49 4.37 2z9nA1 SER 167 HB2 0.07 -0.01 0.15 -0.04 3.95 4.12 2z9nA1 SER 167 HB3 0.16 -0.05 0.11 -0.04 3.93 4.11 2z9nA1 HIS 168 H 0.38 -0.08 -0.34 -0.55 8.41 7.83 2z9nA1 HIS 168 HA -0.02 0.32 0.96 -0.75 4.63 5.14 2z9nA1 HIS 168 HB2 0.14 -0.13 -0.02 -0.04 3.26 3.21 2z9nA1 HIS 168 HB3 -0.12 0.04 0.09 -0.04 3.20 3.17 2z9nA1 HIS 168 HD2 -0.12 -0.20 -0.26 -0.04 6.97 6.35 2z9nA1 HIS 168 HE1 -0.47 0.42 0.14 -0.04 7.75 7.80 2z9nA1 TYR 169 H 0.39 0.32 -0.21 -0.55 8.29 8.24 2z9nA1 TYR 169 HA 0.17 0.27 0.52 -0.75 4.56 4.77 2z9nA1 TYR 169 HB2 0.12 0.04 0.13 -0.04 3.06 3.30 2z9nA1 TYR 169 HB3 0.06 0.09 0.01 -0.04 2.98 3.11 2z9nA1 TYR 169 HD2 0.00 0.02 -0.13 -0.04 7.15 7.01 2z9nA1 TYR 169 HE2 -0.02 -0.18 -0.04 -0.04 6.85 6.56 2z9nA1 ARG 170 H -0.54 0.35 0.24 -0.55 8.46 7.95 2z9nA1 ARG 170 HA -0.11 0.09 0.87 -0.75 4.34 4.44 2z9nA1 ARG 170 HB2 -0.00 -0.00 0.02 -0.04 1.90 1.87 2z9nA1 ARG 170 HB3 -0.01 -0.09 -0.06 -0.04 1.80 1.59 2z9nA1 ARG 170 HG2 -0.01 0.24 -0.55 -0.04 1.67 1.31 2z9nA1 ARG 170 HG3 0.00 -0.00 -0.07 -0.04 1.67 1.57 2z9nA1 ARG 170 HD2 -0.01 -0.09 -0.01 -0.04 3.22 3.07 2z9nA1 ARG 170 HD3 -0.02 -0.05 0.08 -0.04 3.22 3.19 2z9nA1 ALA 171 H -0.08 0.12 0.03 -0.55 8.40 7.93 2z9nA1 ALA 171 HA -0.03 0.04 0.16 -0.75 4.34 3.76 2z9nA1 ALA 171 HB3 0.00 0.03 -0.01 -0.04 1.41 1.39