============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 10 0.900 53.702 46.101 19.450 -99.200 -91.000 PHE 11 1.000 57.372 54.088 23.313 -99.200 -91.000 HIS 25 0.900 68.766 42.811 36.073 -99.200 -91.000 HIS 30 0.900 51.423 43.083 28.743 -99.200 -91.000 PHE 34 1.000 54.389 37.595 24.647 -99.200 -91.000 PHE 43 1.000 59.038 37.394 23.169 -99.200 -91.000 TYR 47 0.840 63.400 37.261 20.989 -99.200 -91.000 TYR 69 0.840 59.921 33.635 36.179 -99.200 -91.000 PHE 81 1.000 45.156 55.499 22.535 -99.200 -91.000 PHE 85 1.000 49.703 63.476 14.605 -99.200 -91.000 TYR 91 0.840 41.723 63.801 19.012 -99.200 -91.000 TYR 96 0.840 42.079 63.419 27.312 -99.200 -91.000 PHE 108 1.000 47.147 54.977 40.385 -99.200 -91.000 HIS 125 0.900 66.392 50.210 41.080 -99.200 -91.000 PHE 128 1.000 55.182 55.028 35.640 -99.200 -91.000 PHE 135 1.000 61.715 69.930 26.236 -99.200 -91.000 TRP 138 1.040 54.995 66.937 16.481 -99.200 -91.000 TRP6 138 1.020 55.141 64.629 16.933 -99.200 -91.000 TYR 144 0.840 51.127 59.469 22.332 -99.200 -91.000 TYR 165 0.840 57.913 53.120 52.306 -99.200 -91.000 PHE 170 1.000 65.317 56.403 37.996 -99.200 -91.000 TYR 176 0.840 61.073 62.739 15.563 -99.200 -91.000 HIS 178 0.900 64.939 51.583 13.490 -99.200 -91.000 TYR 184 0.840 51.604 50.473 18.799 -99.200 -91.000 PHE 185 1.000 54.048 55.211 19.873 -99.200 -91.000 TYR 186 0.840 58.955 58.463 15.417 -99.200 -91.000 TRP 191 1.040 58.906 57.036 10.826 -99.200 -91.000 TRP6 191 1.020 58.765 59.393 10.677 -99.200 -91.000 HIS 197 0.900 57.990 59.441 6.048 -99.200 -91.000 HIS 200 0.900 59.813 65.282 10.638 -99.200 -91.000 PHE 222 1.000 73.459 54.934 34.827 -99.200 -91.000 TYR 230 0.840 71.044 61.851 46.042 -99.200 -91.000 PHE 236 1.000 66.643 59.721 33.222 -99.200 -91.000 TRP 237 1.040 62.550 66.134 28.699 -99.200 -91.000 TRP6 237 1.020 60.281 65.441 28.726 -99.200 -91.000 PHE 242 1.000 60.656 66.700 19.592 -99.200 -91.000 TRP 248 1.040 65.008 85.270 13.681 -99.200 -91.000 TRP6 248 1.020 66.237 87.135 14.417 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zo8H1 SER 2 HA 0.09 -0.01 0.14 -0.75 4.49 3.95 1zo8H1 SER 2 HB2 0.07 -0.15 0.11 -0.04 3.95 3.94 1zo8H1 SER 2 HB3 0.11 0.05 0.02 -0.04 3.93 4.06 1zo8H1 THR 3 H 0.05 0.08 0.13 -0.55 8.28 7.99 1zo8H1 THR 3 HA 0.01 0.32 1.15 -0.75 4.39 5.12 1zo8H1 THR 3 HB 0.05 -0.08 0.17 -0.04 4.32 4.42 1zo8H1 THR 3 HG23 0.04 -0.01 -0.02 -0.04 1.22 1.19 1zo8H1 ALA 4 H -0.03 0.84 0.45 -0.55 8.40 9.11 1zo8H1 ALA 4 HA -0.03 0.19 1.19 -0.75 4.34 4.93 1zo8H1 ALA 4 HB3 -0.11 -0.01 -0.09 -0.04 1.41 1.17 1zo8H1 ILE 5 H -0.00 0.57 0.37 -0.55 8.25 8.64 1zo8H1 ILE 5 HA 0.03 0.38 1.03 -0.75 4.18 4.87 1zo8H1 ILE 5 HB 0.02 -0.04 0.15 -0.04 1.89 1.98 1zo8H1 ILE 5 HG12 0.06 0.04 -0.06 -0.04 1.49 1.49 1zo8H1 ILE 5 HG13 0.04 0.03 -0.34 -0.04 1.21 0.90 1zo8H1 ILE 5 HG23 0.02 -0.03 -0.26 -0.04 0.93 0.62 1zo8H1 ILE 5 HD13 0.04 -0.02 -0.15 -0.04 0.88 0.70 1zo8H1 VAL 6 H 0.04 0.60 0.30 -0.55 8.24 8.63 1zo8H1 VAL 6 HA 0.01 0.26 1.00 -0.75 4.13 4.65 1zo8H1 VAL 6 HB 0.03 -0.02 0.12 -0.04 2.12 2.21 1zo8H1 VAL 6 HG13 0.01 0.03 -0.02 -0.04 0.97 0.94 1zo8H1 VAL 6 HG23 -0.01 -0.00 -0.24 -0.04 0.95 0.66 1zo8H1 THR 7 H 0.01 0.32 0.27 -0.55 8.28 8.34 1zo8H1 THR 7 HA 0.15 0.05 0.82 -0.75 4.39 4.65 1zo8H1 THR 7 HB -0.16 -0.05 0.07 -0.04 4.32 4.13 1zo8H1 THR 7 HG23 -0.17 0.03 -0.09 -0.04 1.22 0.95 1zo8H1 ASN 8 H 0.59 0.03 -0.00 -0.55 8.53 8.60 1zo8H1 ASN 8 HA -0.02 -0.19 0.44 -0.75 4.76 4.24 1zo8H1 ASN 8 HB2 0.06 0.37 -0.02 -0.04 2.88 3.26 1zo8H1 ASN 8 HB3 0.05 -0.12 0.20 -0.04 2.79 2.88 1zo8H1 ASN 8 HD21 0.01 -0.03 0.02 -0.04 7.03 6.99 1zo8H1 ASN 8 HD22 0.03 0.59 -0.01 -0.04 7.74 8.31 1zo8H1 VAL 9 H -0.11 0.61 -0.05 -0.55 8.24 8.14 1zo8H1 VAL 9 HA -0.03 0.09 0.21 -0.75 4.13 3.64 1zo8H1 VAL 9 HB -0.03 0.11 0.01 -0.04 2.12 2.17 1zo8H1 VAL 9 HG13 -0.37 -0.01 -0.20 -0.04 0.97 0.36 1zo8H1 VAL 9 HG23 0.05 0.02 -0.15 -0.04 0.95 0.83 1zo8H1 LYS 10 H -0.31 -0.02 -0.31 -0.55 8.42 7.22 1zo8H1 LYS 10 HA -0.14 0.14 0.50 -0.75 4.32 4.07 1zo8H1 LYS 10 HB2 -0.67 -0.09 0.01 -0.04 1.87 1.08 1zo8H1 LYS 10 HB3 -0.44 0.02 0.09 -0.04 1.79 1.42 1zo8H1 LYS 10 HG2 -0.03 0.09 -0.05 -0.04 1.46 1.43 1zo8H1 LYS 10 HG3 -0.42 -0.06 -0.06 -0.04 1.46 0.88 1zo8H1 LYS 10 HD2 -0.23 -0.11 -0.03 -0.04 1.69 1.28 1zo8H1 LYS 10 HD3 -0.07 0.04 -0.02 -0.04 1.68 1.59 1zo8H1 LYS 10 HE2 0.27 0.07 -0.06 -0.04 2.99 3.23 1zo8H1 LYS 10 HE3 -0.08 -0.01 -0.11 -0.04 2.99 2.75 1zo8H1 HIS 11 H -0.08 0.61 -0.19 -0.55 8.41 8.20 1zo8H1 HIS 11 HA 0.05 0.21 1.07 -0.75 4.63 5.21 1zo8H1 HIS 11 HB2 -0.15 0.08 0.03 -0.04 3.26 3.18 1zo8H1 HIS 11 HB3 -0.05 -0.06 0.13 -0.04 3.20 3.17 1zo8H1 HIS 11 HD2 -0.16 -0.07 -0.01 -0.04 6.97 6.69 1zo8H1 HIS 11 HE1 0.07 0.05 -0.02 -0.04 7.75 7.81 1zo8H1 PHE 12 H 0.24 0.25 0.25 -0.55 8.34 8.53 1zo8H1 PHE 12 HA 0.09 0.20 0.40 -0.75 4.62 4.56 1zo8H1 PHE 12 HB2 -0.04 -0.05 -0.16 -0.04 3.15 2.86 1zo8H1 PHE 12 HB3 0.05 0.05 0.00 -0.04 3.06 3.12 1zo8H1 PHE 12 HD2 0.21 0.04 -0.11 -0.04 7.28 7.38 1zo8H1 PHE 12 HE2 0.28 0.07 -0.04 -0.04 7.38 7.64 1zo8H1 PHE 12 HZ 0.23 0.15 0.06 -0.04 7.32 7.72 1zo8H1 GLY 13 H -0.25 0.20 0.16 -0.55 8.43 8.00 1zo8H1 GLY 13 HA2 -0.09 0.10 0.69 -0.51 4.01 4.20 1zo8H1 GLY 13 HA3 -0.27 0.02 0.35 -0.51 4.01 3.60 1zo8H1 GLY 14 H 0.04 0.69 -0.31 -0.55 8.43 8.31 1zo8H1 GLY 14 HA2 -0.01 0.01 0.34 -0.51 4.01 3.85 1zo8H1 GLY 14 HA3 -0.00 0.22 0.34 -0.51 4.01 4.06 1zo8H1 MET 15 H -0.01 0.18 -0.08 -0.55 8.47 8.01 1zo8H1 MET 15 HA -0.04 0.09 0.45 -0.75 4.52 4.28 1zo8H1 MET 15 HB2 -0.01 -0.04 0.01 -0.04 2.15 2.06 1zo8H1 MET 15 HB3 -0.04 0.00 -0.02 -0.04 2.03 1.93 1zo8H1 MET 15 HG2 -0.02 0.14 0.07 -0.04 2.63 2.78 1zo8H1 MET 15 HG3 -0.00 -0.04 -0.00 -0.04 2.56 2.48 1zo8H1 MET 15 HE3 -0.46 0.00 -0.05 -0.04 2.10 1.55 1zo8H1 GLY 16 H -0.02 0.11 -0.29 -0.55 8.43 7.68 1zo8H1 GLY 16 HA2 -0.01 0.04 0.34 -0.51 4.01 3.86 1zo8H1 GLY 16 HA3 -0.02 0.05 0.26 -0.51 4.01 3.79 1zo8H1 SER 17 H -0.04 0.40 -0.24 -0.55 8.46 8.04 1zo8H1 SER 17 HA -0.04 0.02 0.36 -0.75 4.49 4.09 1zo8H1 SER 17 HB2 -0.03 0.09 0.15 -0.04 3.95 4.13 1zo8H1 SER 17 HB3 -0.03 -0.01 -0.06 -0.04 3.93 3.78 1zo8H1 ALA 18 H -0.02 0.64 0.01 -0.55 8.40 8.49 1zo8H1 ALA 18 HA -0.00 0.04 0.30 -0.75 4.34 3.93 1zo8H1 ALA 18 HB3 0.01 -0.00 0.03 -0.04 1.41 1.41 1zo8H1 LEU 19 H -0.03 0.46 -0.17 -0.55 8.37 8.09 1zo8H1 LEU 19 HA -0.01 0.08 0.41 -0.75 4.35 4.07 1zo8H1 LEU 19 HB2 -0.03 0.38 0.16 -0.04 1.64 2.11 1zo8H1 LEU 19 HB3 -0.00 -0.04 -0.07 -0.04 1.64 1.49 1zo8H1 LEU 19 HG 0.02 -0.01 -0.01 -0.04 1.64 1.60 1zo8H1 LEU 19 HD13 -0.09 0.00 -0.08 -0.04 0.93 0.72 1zo8H1 LEU 19 HD23 -0.04 -0.02 -0.03 -0.04 0.89 0.76 1zo8H1 ARG 20 H -0.01 0.47 -0.20 -0.55 8.46 8.17 1zo8H1 ARG 20 HA 0.01 0.03 0.43 -0.75 4.34 4.04 1zo8H1 ARG 20 HB2 -0.01 -0.06 0.07 -0.04 1.90 1.86 1zo8H1 ARG 20 HB3 -0.01 0.10 0.09 -0.04 1.80 1.94 1zo8H1 ARG 20 HG2 -0.01 -0.04 -0.43 -0.04 1.67 1.15 1zo8H1 ARG 20 HG3 0.01 0.03 -0.23 -0.04 1.67 1.44 1zo8H1 ARG 20 HD2 0.01 0.01 0.06 -0.04 3.22 3.25 1zo8H1 ARG 20 HD3 0.00 -0.07 -0.05 -0.04 3.22 3.06 1zo8H1 LEU 21 H 0.01 0.54 -0.18 -0.55 8.37 8.19 1zo8H1 LEU 21 HA 0.15 0.04 0.38 -0.75 4.35 4.15 1zo8H1 LEU 21 HB2 -0.00 0.19 0.09 -0.04 1.64 1.88 1zo8H1 LEU 21 HB3 0.03 0.02 -0.18 -0.04 1.64 1.47 1zo8H1 LEU 21 HG -0.24 0.02 -0.15 -0.04 1.64 1.24 1zo8H1 LEU 21 HD13 -0.05 0.00 -0.16 -0.04 0.93 0.69 1zo8H1 LEU 21 HD23 -0.07 -0.01 -0.21 -0.04 0.89 0.57 1zo8H1 SER 22 H 0.03 0.48 -0.20 -0.55 8.46 8.22 1zo8H1 SER 22 HA 0.04 0.24 0.44 -0.75 4.49 4.45 1zo8H1 SER 22 HB2 0.02 0.01 0.12 -0.04 3.95 4.05 1zo8H1 SER 22 HB3 0.01 -0.00 0.18 -0.04 3.93 4.07 1zo8H1 GLU 23 H 0.02 0.48 -0.21 -0.55 8.60 8.34 1zo8H1 GLU 23 HA -0.00 0.00 0.40 -0.75 4.29 3.94 1zo8H1 ALA 24 H 0.02 0.33 -0.53 -0.55 8.40 7.67 1zo8H1 ALA 24 HA -0.05 0.02 0.54 -0.75 4.34 4.10 1zo8H1 ALA 24 HB3 -0.01 0.01 0.09 -0.04 1.41 1.46 1zo8H1 GLY 25 H -0.06 0.47 -0.47 -0.55 8.43 7.82 1zo8H1 GLY 25 HA2 -0.07 -0.02 0.28 -0.51 4.01 3.69 1zo8H1 GLY 25 HA3 -0.14 0.08 0.74 -0.51 4.01 4.18 1zo8H1 HIS 26 H -0.08 0.27 -0.02 -0.55 8.41 8.03 1zo8H1 HIS 26 HA -0.02 0.28 0.56 -0.75 4.63 4.70 1zo8H1 HIS 26 HB2 -0.03 -0.12 -0.29 -0.04 3.26 2.79 1zo8H1 HIS 26 HB3 -0.03 -0.01 -0.16 -0.04 3.20 2.96 1zo8H1 HIS 26 HD2 -0.03 -0.02 0.03 -0.04 6.97 6.90 1zo8H1 HIS 26 HE1 -0.04 0.01 -0.11 -0.04 7.75 7.57 1zo8H1 THR 27 H 0.06 0.76 0.38 -0.55 8.28 8.93 1zo8H1 THR 27 HA -0.07 0.12 0.70 -0.75 4.39 4.38 1zo8H1 THR 27 HB -0.08 -0.04 0.26 -0.04 4.32 4.42 1zo8H1 THR 27 HG23 -0.48 -0.02 -0.09 -0.04 1.22 0.59 1zo8H1 VAL 28 H -0.06 0.30 0.08 -0.55 8.24 8.00 1zo8H1 VAL 28 HA -0.04 0.21 1.07 -0.75 4.13 4.62 1zo8H1 VAL 28 HB 0.01 0.01 0.14 -0.04 2.12 2.24 1zo8H1 VAL 28 HG13 0.01 -0.05 -0.24 -0.04 0.97 0.66 1zo8H1 VAL 28 HG23 0.02 0.07 -0.31 -0.04 0.95 0.69 1zo8H1 ALA 29 H -0.04 0.72 0.35 -0.55 8.40 8.88 1zo8H1 ALA 29 HA 0.01 0.29 0.74 -0.75 4.34 4.63 1zo8H1 ALA 29 HB3 0.07 -0.02 0.12 -0.04 1.41 1.54 1zo8H1 CYS 30 H 0.09 0.61 0.17 -0.55 8.50 8.82 1zo8H1 CYS 30 HA 0.10 0.26 1.17 -0.75 4.58 5.35 1zo8H1 CYS 30 HB2 0.15 -0.06 -0.06 -0.04 2.97 2.97 1zo8H1 CYS 30 HB3 0.09 -0.06 -0.03 -0.04 2.97 2.93 1zo8H1 HIS 31 H 0.16 0.63 0.41 -0.55 8.41 9.06 1zo8H1 HIS 31 HA 0.17 0.31 0.96 -0.75 4.63 5.31 1zo8H1 HIS 31 HB2 0.04 0.12 -0.03 -0.04 3.26 3.35 1zo8H1 HIS 31 HB3 0.01 0.00 0.09 -0.04 3.20 3.26 1zo8H1 HIS 31 HD2 0.02 0.32 0.03 -0.04 6.97 7.30 1zo8H1 HIS 31 HE1 -0.06 -0.02 -0.01 -0.04 7.75 7.62 1zo8H1 ASP 32 H -0.74 0.49 0.16 -0.55 8.40 7.76 1zo8H1 ASP 32 HA -0.54 -0.04 0.50 -0.75 4.63 3.80 1zo8H1 ASP 32 HB2 -0.98 0.19 -0.09 -0.04 2.71 1.78 1zo8H1 ASP 32 HB3 -2.04 0.03 -0.05 -0.04 2.70 0.59 1zo8H1 GLU 33 H -0.26 0.17 0.17 -0.55 8.60 8.14 1zo8H1 GLU 33 HA -0.15 0.15 0.42 -0.75 4.29 3.95 1zo8H1 SER 34 H -0.28 0.03 -0.29 -0.55 8.46 7.37 1zo8H1 SER 34 HA -0.03 0.10 0.43 -0.75 4.49 4.24 1zo8H1 SER 34 HB2 0.00 0.03 0.06 -0.04 3.95 4.00 1zo8H1 SER 34 HB3 -0.09 -0.01 0.06 -0.04 3.93 3.85 1zo8H1 PHE 35 H -0.27 0.40 -0.39 -0.55 8.34 7.52 1zo8H1 PHE 35 HA -0.06 0.01 0.34 -0.75 4.62 4.16 1zo8H1 PHE 35 HB2 -0.17 0.16 0.15 -0.04 3.15 3.25 1zo8H1 PHE 35 HB3 -0.08 0.08 0.08 -0.04 3.06 3.09 1zo8H1 PHE 35 HD2 -0.15 0.06 -0.18 -0.04 7.28 6.98 1zo8H1 PHE 35 HE2 -0.36 0.02 -0.27 -0.04 7.38 6.73 1zo8H1 PHE 35 HZ -2.24 0.04 -0.15 -0.04 7.32 4.93 1zo8H1 LYS 36 H 0.03 0.25 -0.68 -0.55 8.42 7.46 1zo8H1 LYS 36 HA 0.04 0.13 0.47 -0.75 4.32 4.21 1zo8H1 LYS 36 HB2 0.01 0.06 0.13 -0.04 1.87 2.03 1zo8H1 LYS 36 HB3 0.02 -0.07 0.01 -0.04 1.79 1.71 1zo8H1 LYS 36 HG2 0.02 -0.02 0.06 -0.04 1.46 1.49 1zo8H1 LYS 36 HG3 -0.01 0.06 0.10 -0.04 1.46 1.57 1zo8H1 LYS 36 HD2 0.00 0.02 0.07 -0.04 1.69 1.74 1zo8H1 LYS 36 HD3 0.01 -0.03 0.03 -0.04 1.68 1.65 1zo8H1 LYS 36 HE2 0.02 -0.02 0.02 -0.04 2.99 2.97 1zo8H1 LYS 36 HE3 0.02 -0.03 0.03 -0.04 2.99 2.97 1zo8H1 GLN 37 H 0.06 0.36 -0.12 -0.55 8.47 8.23 1zo8H1 GLN 37 HA 0.03 0.12 0.71 -0.75 4.36 4.47 1zo8H1 GLN 37 HB2 0.06 0.12 0.22 -0.04 2.15 2.51 1zo8H1 GLN 37 HB3 0.04 -0.16 0.04 -0.04 2.02 1.91 1zo8H1 GLN 37 HG2 0.03 0.00 0.05 -0.04 2.40 2.44 1zo8H1 GLN 37 HG3 0.03 0.04 0.03 -0.04 2.39 2.44 1zo8H1 GLN 37 HE21 0.02 0.03 -0.03 -0.04 6.97 6.95 1zo8H1 GLN 37 HE22 0.02 0.04 -0.11 -0.04 7.69 7.60 1zo8H1 LYS 38 H 0.03 0.21 0.17 -0.55 8.42 8.27 1zo8H1 LYS 38 HA 0.02 0.15 0.31 -0.75 4.32 4.04 1zo8H1 ASP 39 H 0.03 0.06 -0.21 -0.55 8.40 7.74 1zo8H1 ASP 39 HA 0.03 0.11 0.38 -0.75 4.63 4.39 1zo8H1 GLU 40 H 0.07 0.13 -0.25 -0.55 8.60 8.00 1zo8H1 GLU 40 HA 0.12 0.03 0.38 -0.75 4.29 4.06 1zo8H1 GLU 40 HB2 0.17 0.28 0.12 -0.04 2.09 2.61 1zo8H1 GLU 40 HB3 0.20 -0.11 -0.12 -0.04 1.99 1.92 1zo8H1 GLU 40 HG2 0.07 -0.15 0.08 -0.04 2.34 2.30 1zo8H1 GLU 40 HG3 0.07 0.09 0.16 -0.04 2.34 2.62 1zo8H1 LEU 41 H 0.07 0.49 -0.13 -0.55 8.37 8.25 1zo8H1 LEU 41 HA -0.40 -0.01 0.32 -0.75 4.35 3.51 1zo8H1 LEU 41 HB2 -0.10 0.06 0.01 -0.04 1.64 1.58 1zo8H1 LEU 41 HB3 -0.06 0.06 0.04 -0.04 1.64 1.64 1zo8H1 LEU 41 HG -0.48 -0.06 -0.13 -0.04 1.64 0.94 1zo8H1 LEU 41 HD13 -0.11 0.05 -0.33 -0.04 0.93 0.50 1zo8H1 LEU 41 HD23 -0.08 0.02 -0.28 -0.04 0.89 0.51 1zo8H1 GLU 42 H 0.01 0.52 -0.25 -0.55 8.60 8.34 1zo8H1 GLU 42 HA 0.00 0.04 0.33 -0.75 4.29 3.91 1zo8H1 GLU 42 HB2 0.03 0.11 0.20 -0.04 2.09 2.39 1zo8H1 GLU 42 HB3 0.01 -0.04 -0.02 -0.04 1.99 1.91 1zo8H1 GLU 42 HG2 0.01 0.47 0.11 -0.04 2.34 2.88 1zo8H1 GLU 42 HG3 0.01 -0.13 -0.07 -0.04 2.34 2.11 1zo8H1 ALA 43 H 0.06 0.53 -0.06 -0.55 8.40 8.38 1zo8H1 ALA 43 HA 0.02 0.01 0.38 -0.75 4.34 4.00 1zo8H1 ALA 43 HB3 0.08 0.01 0.09 -0.04 1.41 1.54 1zo8H1 PHE 44 H 0.24 0.52 -0.18 -0.55 8.34 8.37 1zo8H1 PHE 44 HA 0.17 -0.03 0.35 -0.75 4.62 4.36 1zo8H1 PHE 44 HB2 0.26 -0.03 0.05 -0.04 3.15 3.39 1zo8H1 PHE 44 HB3 -0.14 0.14 0.08 -0.04 3.06 3.10 1zo8H1 PHE 44 HD2 0.12 0.04 -0.16 -0.04 7.28 7.24 1zo8H1 PHE 44 HE2 0.01 -0.00 -0.14 -0.04 7.38 7.21 1zo8H1 PHE 44 HZ -0.15 -0.00 -0.14 -0.04 7.32 6.99 1zo8H1 ALA 45 H 0.10 0.62 -0.15 -0.55 8.40 8.42 1zo8H1 ALA 45 HA 0.07 0.12 0.35 -0.75 4.34 4.13 1zo8H1 ALA 45 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 1zo8H1 GLU 46 H -0.01 0.47 -0.14 -0.55 8.60 8.37 1zo8H1 GLU 46 HA -0.04 0.04 0.42 -0.75 4.29 3.96 1zo8H1 THR 47 H -0.13 0.55 -0.12 -0.55 8.28 8.03 1zo8H1 THR 47 HA -0.27 -0.02 0.45 -0.75 4.39 3.79 1zo8H1 THR 47 HB -0.42 0.07 0.13 -0.04 4.32 4.05 1zo8H1 THR 47 HG23 -0.89 -0.04 -0.07 -0.04 1.22 0.18 1zo8H1 TYR 48 H -0.21 0.61 -0.24 -0.55 8.29 7.90 1zo8H1 TYR 48 HA -0.15 0.16 0.98 -0.75 4.56 4.80 1zo8H1 TYR 48 HB2 -0.55 0.07 0.14 -0.04 3.06 2.67 1zo8H1 TYR 48 HB3 -0.20 -0.09 0.03 -0.04 2.98 2.68 1zo8H1 TYR 48 HD2 -0.80 0.08 -0.02 -0.04 7.15 6.37 1zo8H1 TYR 48 HE2 -0.16 -0.05 -0.06 -0.04 6.85 6.54 1zo8H1 PRO 49 HA 0.01 0.22 0.57 -0.51 4.44 4.72 1zo8H1 PRO 49 HB2 -0.01 -0.02 0.06 -0.04 2.28 2.27 1zo8H1 PRO 49 HB3 -0.02 0.04 0.12 -0.04 2.02 2.13 1zo8H1 PRO 49 HG2 -0.01 -0.02 0.01 -0.04 2.03 1.97 1zo8H1 PRO 49 HG3 -0.03 -0.00 0.05 -0.04 2.03 2.00 1zo8H1 PRO 49 HD2 -0.06 0.07 0.13 -0.04 3.68 3.79 1zo8H1 PRO 49 HD3 -0.09 0.33 -0.19 -0.04 3.65 3.66 1zo8H1 GLN 50 H 0.04 0.03 -0.35 -0.55 8.47 7.64 1zo8H1 GLN 50 HA 0.01 0.16 0.58 -0.75 4.36 4.35 1zo8H1 GLN 50 HB2 0.01 0.07 0.11 -0.04 2.15 2.30 1zo8H1 GLN 50 HB3 0.02 -0.04 0.03 -0.04 2.02 1.99 1zo8H1 GLN 50 HG2 0.04 0.03 -0.32 -0.04 2.40 2.11 1zo8H1 GLN 50 HG3 0.03 -0.01 -0.06 -0.04 2.39 2.31 1zo8H1 GLN 50 HE21 0.08 0.01 0.02 -0.04 6.97 7.05 1zo8H1 GLN 50 HE22 0.06 -0.01 -0.02 -0.04 7.69 7.68 1zo8H1 LEU 51 H 0.05 0.44 -0.49 -0.55 8.37 7.81 1zo8H1 LEU 51 HA 0.03 0.18 0.87 -0.75 4.35 4.68 1zo8H1 LEU 51 HB2 0.06 0.03 0.00 -0.04 1.64 1.69 1zo8H1 LEU 51 HB3 0.25 -0.07 -0.10 -0.04 1.64 1.68 1zo8H1 LEU 51 HG 0.12 -0.04 -0.09 -0.04 1.64 1.58 1zo8H1 LEU 51 HD13 0.01 0.01 -0.24 -0.04 0.93 0.67 1zo8H1 LEU 51 HD23 -0.13 -0.05 -0.13 -0.04 0.89 0.54 1zo8H1 LYS 52 H 0.05 0.61 0.22 -0.55 8.42 8.74 1zo8H1 LYS 52 HA 0.06 0.27 0.98 -0.75 4.32 4.88 1zo8H1 LYS 52 HB2 -0.10 -0.09 0.05 -0.04 1.87 1.69 1zo8H1 LYS 52 HB3 0.11 -0.02 0.02 -0.04 1.79 1.86 1zo8H1 LYS 52 HG2 -0.12 -0.01 -0.37 -0.04 1.46 0.91 1zo8H1 LYS 52 HG3 -0.50 -0.03 -0.15 -0.04 1.46 0.73 1zo8H1 LYS 52 HD2 0.14 -0.07 -0.04 -0.04 1.69 1.68 1zo8H1 LYS 52 HD3 0.03 0.26 -0.13 -0.04 1.68 1.81 1zo8H1 LYS 52 HE2 -0.03 0.06 -0.13 -0.04 2.99 2.86 1zo8H1 LYS 52 HE3 -0.01 -0.05 -0.07 -0.04 2.99 2.83 1zo8H1 PRO 53 HA -0.05 0.08 0.63 -0.51 4.44 4.58 1zo8H1 PRO 53 HB2 -1.06 -0.02 -0.03 -0.04 2.28 1.13 1zo8H1 PRO 53 HB3 -0.60 -0.06 0.01 -0.04 2.02 1.33 1zo8H1 PRO 53 HG2 -0.11 0.00 0.08 -0.04 2.03 1.96 1zo8H1 PRO 53 HG3 0.07 0.04 -0.01 -0.04 2.03 2.08 1zo8H1 PRO 53 HD2 0.07 0.25 0.15 -0.04 3.68 4.11 1zo8H1 PRO 53 HD3 0.26 0.14 -0.19 -0.04 3.65 3.82 1zo8H1 MET 54 H 0.07 0.75 0.46 -0.55 8.47 9.20 1zo8H1 MET 54 HA 0.02 0.16 0.87 -0.75 4.52 4.82 1zo8H1 MET 54 HB2 0.13 0.00 0.01 -0.04 2.15 2.25 1zo8H1 MET 54 HB3 0.09 -0.16 0.07 -0.04 2.03 1.98 1zo8H1 MET 54 HG2 0.11 0.07 -0.02 -0.04 2.63 2.75 1zo8H1 MET 54 HG3 0.12 -0.04 -0.09 -0.04 2.56 2.51 1zo8H1 MET 54 HE3 0.07 -0.02 -0.15 -0.04 2.10 1.96 1zo8H1 SER 55 H 0.03 0.11 0.15 -0.55 8.46 8.20 1zo8H1 SER 55 HA 0.09 0.26 0.65 -0.75 4.49 4.73 1zo8H1 SER 55 HB2 0.04 0.05 0.06 -0.04 3.95 4.06 1zo8H1 SER 55 HB3 0.01 0.02 0.03 -0.04 3.93 3.95 1zo8H1 GLU 56 H 0.07 0.01 -0.03 -0.55 8.60 8.10 1zo8H1 GLU 56 HA 0.06 -0.01 0.34 -0.75 4.29 3.92 1zo8H1 GLU 56 HB2 0.08 0.03 -0.04 -0.04 2.09 2.13 1zo8H1 GLU 56 HB3 0.06 -0.06 -0.22 -0.04 1.99 1.73 1zo8H1 GLU 56 HG2 0.04 0.15 -0.17 -0.04 2.34 2.32 1zo8H1 GLU 56 HG3 0.04 -0.01 -0.03 -0.04 2.34 2.30 1zo8H1 GLN 57 H 0.07 -0.01 0.18 -0.55 8.47 8.17 1zo8H1 GLN 57 HA 0.23 0.20 0.84 -0.75 4.36 4.87 1zo8H1 GLN 57 HB2 0.06 -0.05 0.09 -0.04 2.15 2.21 1zo8H1 GLN 57 HB3 0.08 -0.03 0.02 -0.04 2.02 2.05 1zo8H1 GLN 57 HG2 0.05 0.19 -0.06 -0.04 2.40 2.53 1zo8H1 GLN 57 HG3 0.03 -0.03 0.02 -0.04 2.39 2.37 1zo8H1 GLN 57 HE21 -0.16 0.12 -0.16 -0.04 6.97 6.73 1zo8H1 GLN 57 HE22 0.02 0.44 -0.32 -0.04 7.69 7.79 1zo8H1 GLU 58 H 0.05 -0.02 0.11 -0.55 8.60 8.19 1zo8H1 GLU 58 HA 0.02 0.24 0.65 -0.75 4.29 4.45 1zo8H1 GLU 58 HB2 0.02 -0.07 0.10 -0.04 2.09 2.10 1zo8H1 GLU 58 HB3 0.01 0.01 0.05 -0.04 1.99 2.03 1zo8H1 GLU 58 HG2 0.03 -0.06 0.03 -0.04 2.34 2.29 1zo8H1 GLU 58 HG3 0.02 0.05 0.03 -0.04 2.34 2.40 1zo8H1 PRO 59 HA -0.04 0.10 0.33 -0.51 4.44 4.32 1zo8H1 PRO 59 HB2 -0.01 -0.03 0.03 -0.04 2.28 2.23 1zo8H1 PRO 59 HB3 -0.03 0.09 -0.24 -0.04 2.02 1.80 1zo8H1 PRO 59 HG2 -0.02 0.07 0.07 -0.04 2.03 2.11 1zo8H1 PRO 59 HG3 -0.05 0.09 0.06 -0.04 2.03 2.09 1zo8H1 PRO 59 HD2 -0.00 0.08 0.19 -0.04 3.68 3.90 1zo8H1 PRO 59 HD3 -0.01 0.21 0.26 -0.04 3.65 4.07 1zo8H1 ALA 60 H 0.00 0.15 -0.04 -0.55 8.40 7.97 1zo8H1 ALA 60 HA -0.00 0.15 0.38 -0.75 4.34 4.11 1zo8H1 ALA 60 HB3 0.00 0.03 0.04 -0.04 1.41 1.44 1zo8H1 GLU 61 H 0.01 0.00 -0.44 -0.55 8.60 7.63 1zo8H1 GLU 61 HA 0.01 0.09 0.37 -0.75 4.29 4.01 1zo8H1 GLU 61 HB2 0.02 0.00 0.05 -0.04 2.09 2.12 1zo8H1 GLU 61 HB3 0.02 0.05 0.05 -0.04 1.99 2.08 1zo8H1 GLU 61 HG2 0.03 0.03 -0.30 -0.04 2.34 2.06 1zo8H1 GLU 61 HG3 0.02 0.06 0.00 -0.04 2.34 2.38 1zo8H1 LEU 62 H 0.02 0.62 -0.17 -0.55 8.37 8.29 1zo8H1 LEU 62 HA 0.05 -0.03 0.33 -0.75 4.35 3.95 1zo8H1 LEU 62 HB2 0.06 0.01 -0.20 -0.04 1.64 1.46 1zo8H1 LEU 62 HB3 0.00 0.11 0.02 -0.04 1.64 1.73 1zo8H1 LEU 62 HG 0.04 0.03 -0.33 -0.04 1.64 1.34 1zo8H1 LEU 62 HD13 0.13 0.02 -0.12 -0.04 0.93 0.91 1zo8H1 LEU 62 HD23 -0.03 -0.00 -0.18 -0.04 0.89 0.64 1zo8H1 ILE 63 H 0.01 0.56 -0.12 -0.55 8.25 8.15 1zo8H1 ILE 63 HA 0.02 0.03 0.32 -0.75 4.18 3.80 1zo8H1 ILE 63 HB -0.00 0.06 0.05 -0.04 1.89 1.96 1zo8H1 ILE 63 HG12 -0.01 0.04 0.01 -0.04 1.49 1.49 1zo8H1 ILE 63 HG13 -0.01 0.02 -0.10 -0.04 1.21 1.07 1zo8H1 ILE 63 HG23 -0.00 0.02 -0.24 -0.04 0.93 0.68 1zo8H1 ILE 63 HD13 0.00 -0.01 -0.08 -0.04 0.88 0.76 1zo8H1 GLU 64 H 0.01 0.46 -0.28 -0.55 8.60 8.25 1zo8H1 GLU 64 HA 0.00 0.06 0.40 -0.75 4.29 4.01 1zo8H1 ALA 65 H 0.02 0.54 -0.12 -0.55 8.40 8.29 1zo8H1 ALA 65 HA -0.01 0.02 0.40 -0.75 4.34 4.00 1zo8H1 ALA 65 HB3 0.03 0.00 0.10 -0.04 1.41 1.50 1zo8H1 VAL 66 H 0.05 0.55 -0.17 -0.55 8.24 8.12 1zo8H1 VAL 66 HA 0.15 0.04 0.41 -0.75 4.13 3.98 1zo8H1 VAL 66 HB 0.08 0.06 0.01 -0.04 2.12 2.23 1zo8H1 VAL 66 HG13 0.18 0.02 -0.19 -0.04 0.97 0.94 1zo8H1 VAL 66 HG23 0.12 0.02 -0.04 -0.04 0.95 1.01 1zo8H1 THR 67 H 0.03 0.48 -0.27 -0.55 8.28 7.98 1zo8H1 THR 67 HA 0.05 -0.00 0.08 -0.75 4.39 3.76 1zo8H1 THR 67 HB 0.01 0.06 0.09 -0.04 4.32 4.43 1zo8H1 THR 67 HG23 0.01 -0.01 -0.16 -0.04 1.22 1.02 1zo8H1 SER 68 H -0.01 0.54 -0.17 -0.55 8.46 8.27 1zo8H1 SER 68 HA -0.03 0.06 0.44 -0.75 4.49 4.21 1zo8H1 SER 68 HB2 -0.04 0.03 0.12 -0.04 3.95 4.02 1zo8H1 SER 68 HB3 -0.04 -0.05 0.00 -0.04 3.93 3.80 1zo8H1 ALA 69 H -0.12 0.48 -0.18 -0.55 8.40 8.03 1zo8H1 ALA 69 HA -0.27 0.03 0.50 -0.75 4.34 3.85 1zo8H1 ALA 69 HB3 -0.54 -0.03 0.10 -0.04 1.41 0.90 1zo8H1 TYR 70 H -0.08 0.70 -0.07 -0.55 8.29 8.29 1zo8H1 TYR 70 HA 0.01 0.21 0.99 -0.75 4.56 5.02 1zo8H1 TYR 70 HB2 0.02 0.08 0.09 -0.04 3.06 3.20 1zo8H1 TYR 70 HB3 0.02 -0.03 0.18 -0.04 2.98 3.12 1zo8H1 TYR 70 HD2 0.02 0.02 0.00 -0.04 7.15 7.15 1zo8H1 TYR 70 HE2 0.02 -0.03 -0.06 -0.04 6.85 6.74 1zo8H1 GLY 71 H 0.01 0.35 -0.24 -0.55 8.43 8.00 1zo8H1 GLY 71 HA2 0.02 -0.03 0.39 -0.51 4.01 3.88 1zo8H1 GLY 71 HA3 0.05 0.10 0.67 -0.51 4.01 4.32 1zo8H1 GLN 72 H 0.08 0.40 -0.26 -0.55 8.47 8.15 1zo8H1 GLN 72 HA 0.03 -0.00 0.39 -0.75 4.36 4.02 1zo8H1 GLN 72 HB2 0.02 -0.05 0.06 -0.04 2.15 2.14 1zo8H1 GLN 72 HB3 0.03 0.22 -0.10 -0.04 2.02 2.12 1zo8H1 GLN 72 HG2 0.05 -0.00 -0.21 -0.04 2.40 2.20 1zo8H1 GLN 72 HG3 0.04 -0.05 -0.38 -0.04 2.39 1.95 1zo8H1 GLN 72 HE21 0.03 0.02 -0.07 -0.04 6.97 6.90 1zo8H1 GLN 72 HE22 0.03 -0.02 -0.14 -0.04 7.69 7.52 1zo8H1 VAL 73 H 0.02 0.23 0.06 -0.55 8.24 8.00 1zo8H1 VAL 73 HA 0.04 0.19 0.80 -0.75 4.13 4.40 1zo8H1 VAL 73 HB 0.02 -0.01 0.10 -0.04 2.12 2.18 1zo8H1 VAL 73 HG13 0.02 -0.01 -0.24 -0.04 0.97 0.70 1zo8H1 VAL 73 HG23 0.04 -0.02 -0.21 -0.04 0.95 0.72 1zo8H1 ASP 74 H 0.02 0.62 0.29 -0.55 8.40 8.78 1zo8H1 ASP 74 HA 0.03 0.19 0.81 -0.75 4.63 4.90 1zo8H1 ASP 74 HB2 0.02 0.06 0.13 -0.04 2.71 2.88 1zo8H1 ASP 74 HB3 0.06 0.03 0.03 -0.04 2.70 2.78 1zo8H1 VAL 75 H -0.00 0.41 0.32 -0.55 8.24 8.42 1zo8H1 VAL 75 HA 0.05 0.34 1.12 -0.75 4.13 4.89 1zo8H1 VAL 75 HB -0.11 -0.09 0.04 -0.04 2.12 1.92 1zo8H1 VAL 75 HG13 -0.05 -0.02 -0.23 -0.04 0.97 0.64 1zo8H1 VAL 75 HG23 -0.10 0.01 -0.21 -0.04 0.95 0.61 1zo8H1 LEU 76 H 0.05 0.70 0.35 -0.55 8.37 8.91 1zo8H1 LEU 76 HA 0.02 0.13 1.05 -0.75 4.35 4.79 1zo8H1 LEU 76 HB2 0.03 0.04 -0.05 -0.04 1.64 1.61 1zo8H1 LEU 76 HB3 0.05 0.04 0.19 -0.04 1.64 1.88 1zo8H1 LEU 76 HG 0.10 -0.07 -0.30 -0.04 1.64 1.32 1zo8H1 LEU 76 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.79 1zo8H1 LEU 76 HD23 0.06 -0.00 -0.18 -0.04 0.89 0.73 1zo8H1 VAL 77 H 0.02 0.76 0.26 -0.55 8.24 8.74 1zo8H1 VAL 77 HA 0.07 0.27 1.01 -0.75 4.13 4.73 1zo8H1 VAL 77 HB 0.00 0.00 0.30 -0.04 2.12 2.39 1zo8H1 VAL 77 HG13 0.00 -0.04 -0.15 -0.04 0.97 0.75 1zo8H1 VAL 77 HG23 -0.01 0.01 -0.20 -0.04 0.95 0.70 1zo8H1 SER 78 H 0.15 0.72 0.21 -0.55 8.46 8.99 1zo8H1 SER 78 HA -0.02 0.02 0.70 -0.75 4.49 4.43 1zo8H1 SER 78 HB2 -0.04 0.04 0.06 -0.04 3.95 3.97 1zo8H1 SER 78 HB3 -0.14 -0.00 0.29 -0.04 3.93 4.03 1zo8H1 ASN 79 H 0.01 0.18 0.12 -0.55 8.53 8.29 1zo8H1 ASN 79 HA 0.08 0.10 0.67 -0.75 4.76 4.86 1zo8H1 ASN 79 HB2 0.01 -0.01 -0.04 -0.04 2.88 2.81 1zo8H1 ASN 79 HB3 0.04 0.22 0.16 -0.04 2.79 3.17 1zo8H1 ASN 79 HD21 0.13 0.30 0.08 -0.04 7.03 7.50 1zo8H1 ASN 79 HD22 0.06 0.33 0.02 -0.04 7.74 8.11 1zo8H1 ASP 80 H 0.12 0.41 0.13 -0.55 8.40 8.51 1zo8H1 ASP 80 HA 0.04 0.01 0.64 -0.75 4.63 4.57 1zo8H1 ASP 80 HB2 0.03 0.10 0.18 -0.04 2.71 2.99 1zo8H1 ASP 80 HB3 -0.00 0.13 0.07 -0.04 2.70 2.85 1zo8H1 ILE 81 H 0.02 0.20 0.23 -0.55 8.25 8.15 1zo8H1 ILE 81 HA 0.17 0.23 0.88 -0.75 4.18 4.70 1zo8H1 ILE 81 HB -0.73 -0.04 0.04 -0.04 1.89 1.13 1zo8H1 ILE 81 HG12 -0.44 -0.01 -0.32 -0.04 1.49 0.67 1zo8H1 ILE 81 HG13 -0.76 -0.05 -0.05 -0.04 1.21 0.31 1zo8H1 ILE 81 HG23 -0.14 0.04 -0.30 -0.04 0.93 0.49 1zo8H1 ILE 81 HD13 -0.08 0.02 0.12 -0.04 0.88 0.90 1zo8H1 PHE 82 H 0.43 0.38 0.19 -0.55 8.34 8.79 1zo8H1 PHE 82 HA 0.08 0.06 0.52 -0.75 4.62 4.52 1zo8H1 PHE 82 HB2 0.07 0.14 -0.19 -0.04 3.15 3.12 1zo8H1 PHE 82 HB3 0.23 -0.01 -0.10 -0.04 3.06 3.15 1zo8H1 PHE 82 HD2 0.15 0.02 -0.09 -0.04 7.28 7.32 1zo8H1 PHE 82 HE2 0.05 -0.04 -0.12 -0.04 7.38 7.23 1zo8H1 PHE 82 HZ 0.04 0.01 -0.05 -0.04 7.32 7.28 1zo8H1 ALA 83 H -0.70 0.16 0.05 -0.55 8.40 7.37 1zo8H1 ALA 83 HA 0.02 0.26 0.96 -0.75 4.34 4.83 1zo8H1 ALA 83 HB3 -0.13 0.00 0.10 -0.04 1.41 1.34 1zo8H1 PRO 84 HA 0.03 0.09 0.69 -0.51 4.44 4.75 1zo8H1 PRO 84 HB2 0.14 0.04 0.03 -0.04 2.28 2.45 1zo8H1 PRO 84 HB3 0.56 -0.04 0.00 -0.04 2.02 2.50 1zo8H1 PRO 84 HG2 -0.22 0.06 -0.06 -0.04 2.03 1.76 1zo8H1 PRO 84 HG3 -0.27 -0.00 0.01 -0.04 2.03 1.72 1zo8H1 PRO 84 HD2 0.00 0.13 0.26 -0.04 3.68 4.03 1zo8H1 PRO 84 HD3 0.26 0.25 -0.21 -0.04 3.65 3.92 1zo8H1 GLU 85 H 0.18 0.10 0.19 -0.55 8.60 8.53 1zo8H1 GLU 85 HA 0.07 0.20 0.84 -0.75 4.29 4.65 1zo8H1 GLU 85 HB2 0.18 -0.09 0.04 -0.04 2.09 2.18 1zo8H1 GLU 85 HB3 0.08 0.14 -0.02 -0.04 1.99 2.15 1zo8H1 GLU 85 HG2 0.04 0.05 -0.00 -0.04 2.34 2.39 1zo8H1 GLU 85 HG3 0.04 -0.01 -0.14 -0.04 2.34 2.18 1zo8H1 PHE 86 H 0.28 0.16 0.17 -0.55 8.34 8.40 1zo8H1 PHE 86 HA 0.09 0.22 0.83 -0.75 4.62 5.01 1zo8H1 PHE 86 HB2 -0.04 -0.06 0.20 -0.04 3.15 3.21 1zo8H1 PHE 86 HB3 -0.02 0.03 0.05 -0.04 3.06 3.08 1zo8H1 PHE 86 HD2 0.00 0.05 -0.04 -0.04 7.28 7.25 1zo8H1 PHE 86 HE2 -0.02 0.00 -0.05 -0.04 7.38 7.27 1zo8H1 PHE 86 HZ -0.45 -0.01 -0.02 -0.04 7.32 6.80 1zo8H1 GLN 87 H -0.08 0.38 0.23 -0.55 8.47 8.45 1zo8H1 GLN 87 HA -0.16 0.18 0.67 -0.75 4.36 4.29 1zo8H1 GLN 87 HB2 -2.08 -0.12 -0.14 -0.04 2.15 -0.22 1zo8H1 GLN 87 HB3 -0.57 0.05 -0.11 -0.04 2.02 1.35 1zo8H1 GLN 87 HG2 -0.14 -0.05 -0.90 -0.04 2.40 1.28 1zo8H1 GLN 87 HG3 -0.22 -0.08 -0.22 -0.04 2.39 1.83 1zo8H1 GLN 87 HE21 -0.02 -0.01 0.00 -0.04 6.97 6.91 1zo8H1 GLN 87 HE22 0.01 -0.08 -0.06 -0.04 7.69 7.52 1zo8H1 PRO 88 HA -0.02 0.05 0.53 -0.51 4.44 4.49 1zo8H1 PRO 88 HB2 -0.05 -0.08 0.04 -0.04 2.28 2.15 1zo8H1 PRO 88 HB3 -0.02 0.07 0.13 -0.04 2.02 2.16 1zo8H1 PRO 88 HG2 -0.04 0.09 0.07 -0.04 2.03 2.12 1zo8H1 PRO 88 HG3 -0.03 0.09 0.05 -0.04 2.03 2.10 1zo8H1 PRO 88 HD2 -0.12 0.10 0.20 -0.04 3.68 3.82 1zo8H1 PRO 88 HD3 -0.08 0.22 0.15 -0.04 3.65 3.89 1zo8H1 ILE 89 H 0.02 0.15 0.19 -0.55 8.25 8.07 1zo8H1 ILE 89 HA 0.19 0.05 0.31 -0.75 4.18 3.97 1zo8H1 ILE 89 HB 0.06 -0.01 0.15 -0.04 1.89 2.06 1zo8H1 ILE 89 HG12 0.03 0.04 -0.02 -0.04 1.49 1.50 1zo8H1 ILE 89 HG13 0.05 0.06 -0.28 -0.04 1.21 1.00 1zo8H1 ILE 89 HG23 0.03 0.01 0.07 -0.04 0.93 1.00 1zo8H1 ILE 89 HD13 0.06 -0.01 0.03 -0.04 0.88 0.93 1zo8H1 ASP 90 H 0.01 0.05 -0.21 -0.55 8.40 7.71 1zo8H1 ASP 90 HA 0.04 0.15 0.51 -0.75 4.63 4.58 1zo8H1 ASP 90 HB2 0.01 0.06 0.09 -0.04 2.71 2.83 1zo8H1 ASP 90 HB3 0.02 -0.01 0.06 -0.04 2.70 2.73 1zo8H1 LYS 91 H -0.05 0.33 -0.39 -0.55 8.42 7.76 1zo8H1 LYS 91 HA -0.00 0.17 0.72 -0.75 4.32 4.44 1zo8H1 LYS 91 HB2 -0.14 0.05 0.08 -0.04 1.87 1.82 1zo8H1 LYS 91 HB3 -0.07 -0.01 0.09 -0.04 1.79 1.76 1zo8H1 LYS 91 HG2 -0.04 -0.12 -0.06 -0.04 1.46 1.21 1zo8H1 LYS 91 HG3 -0.04 0.01 0.03 -0.04 1.46 1.41 1zo8H1 LYS 91 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 1zo8H1 LYS 91 HD3 -0.01 0.11 -0.14 -0.04 1.68 1.60 1zo8H1 LYS 91 HE2 -0.01 -0.05 -0.06 -0.04 2.99 2.83 1zo8H1 LYS 91 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.92 1zo8H1 TYR 92 H 0.06 0.20 -0.26 -0.55 8.29 7.74 1zo8H1 TYR 92 HA 0.04 0.04 0.48 -0.75 4.56 4.36 1zo8H1 TYR 92 HB2 0.01 0.18 0.02 -0.04 3.06 3.22 1zo8H1 TYR 92 HB3 0.03 0.02 -0.04 -0.04 2.98 2.95 1zo8H1 TYR 92 HD2 0.02 0.00 -0.02 -0.04 7.15 7.11 1zo8H1 TYR 92 HE2 0.03 -0.08 -0.03 -0.04 6.85 6.73 1zo8H1 ALA 93 H 0.22 0.08 0.20 -0.55 8.40 8.34 1zo8H1 ALA 93 HA 0.09 0.26 0.74 -0.75 4.34 4.67 1zo8H1 ALA 93 HB3 0.08 0.01 0.10 -0.04 1.41 1.56 1zo8H1 VAL 94 H 0.06 0.27 0.14 -0.55 8.24 8.16 1zo8H1 VAL 94 HA 0.08 0.12 0.41 -0.75 4.13 3.99 1zo8H1 VAL 94 HB 0.04 0.01 0.12 -0.04 2.12 2.25 1zo8H1 VAL 94 HG13 0.05 0.01 -0.03 -0.04 0.97 0.96 1zo8H1 VAL 94 HG23 0.05 0.04 0.06 -0.04 0.95 1.05 1zo8H1 GLU 95 H 0.05 0.14 -0.19 -0.55 8.60 8.05 1zo8H1 GLU 95 HA 0.03 0.07 0.38 -0.75 4.29 4.02 1zo8H1 ASP 96 H 0.08 0.36 -0.48 -0.55 8.40 7.81 1zo8H1 ASP 96 HA 0.15 0.09 0.46 -0.75 4.63 4.57 1zo8H1 ASP 96 HB2 0.04 0.20 0.16 -0.04 2.71 3.07 1zo8H1 ASP 96 HB3 0.06 -0.01 0.07 -0.04 2.70 2.78 1zo8H1 TYR 97 H 0.09 0.43 -0.17 -0.55 8.29 8.08 1zo8H1 TYR 97 HA -0.19 0.03 0.60 -0.75 4.56 4.25 1zo8H1 TYR 97 HB2 -0.14 -0.01 0.10 -0.04 3.06 2.96 1zo8H1 TYR 97 HB3 -0.08 0.13 0.14 -0.04 2.98 3.13 1zo8H1 TYR 97 HD2 -0.12 -0.03 0.06 -0.04 7.15 7.02 1zo8H1 TYR 97 HE2 -0.08 0.08 0.02 -0.04 6.85 6.84 1zo8H1 ARG 98 H 0.00 0.41 -0.00 -0.55 8.46 8.32 1zo8H1 ARG 98 HA -0.22 0.05 0.38 -0.75 4.34 3.79 1zo8H1 ARG 98 HB2 -0.03 0.06 0.15 -0.04 1.90 2.05 1zo8H1 ARG 98 HB3 -0.07 0.01 -0.00 -0.04 1.80 1.70 1zo8H1 ARG 98 HG2 -0.08 -0.01 0.01 -0.04 1.67 1.56 1zo8H1 ARG 98 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.52 1zo8H1 ARG 98 HD2 -0.03 -0.00 -0.02 -0.04 3.22 3.14 1zo8H1 ARG 98 HD3 -0.06 0.01 -0.00 -0.04 3.22 3.12 1zo8H1 GLY 99 H -0.02 0.55 -0.23 -0.55 8.43 8.19 1zo8H1 GLY 99 HA2 -0.03 0.03 0.41 -0.51 4.01 3.91 1zo8H1 GLY 99 HA3 0.10 0.09 0.28 -0.51 4.01 3.98 1zo8H1 ALA 100 H -0.36 0.33 -0.32 -0.55 8.40 7.51 1zo8H1 ALA 100 HA -1.88 0.03 0.37 -0.75 4.34 2.10 1zo8H1 ALA 100 HB3 -0.31 0.03 0.00 -0.04 1.41 1.10 1zo8H1 VAL 101 H -0.38 0.63 -0.09 -0.55 8.24 7.85 1zo8H1 VAL 101 HA -0.27 0.03 0.44 -0.75 4.13 3.58 1zo8H1 VAL 101 HB -0.35 0.07 0.12 -0.04 2.12 1.92 1zo8H1 VAL 101 HG13 -0.24 -0.01 -0.05 -0.04 0.97 0.63 1zo8H1 VAL 101 HG23 -0.69 0.05 0.02 -0.04 0.95 0.29 1zo8H1 GLU 102 H -0.22 0.68 -0.11 -0.55 8.60 8.40 1zo8H1 GLU 102 HA -0.13 -0.05 0.50 -0.75 4.29 3.87 1zo8H1 GLU 102 HB2 -0.10 0.04 0.13 -0.04 2.09 2.12 1zo8H1 GLU 102 HB3 -0.09 0.10 0.16 -0.04 1.99 2.12 1zo8H1 GLU 102 HG2 -0.03 -0.01 -0.00 -0.04 2.34 2.25 1zo8H1 GLU 102 HG3 -0.04 -0.00 -0.10 -0.04 2.34 2.15 1zo8H1 ALA 103 H -0.22 0.48 -0.19 -0.55 8.40 7.92 1zo8H1 ALA 103 HA -0.04 0.05 0.58 -0.75 4.34 4.18 1zo8H1 ALA 103 HB3 0.02 0.05 0.14 -0.04 1.41 1.59 1zo8H1 LEU 104 H -0.21 0.54 -0.03 -0.55 8.37 8.12 1zo8H1 LEU 104 HA -0.09 0.20 0.85 -0.75 4.35 4.54 1zo8H1 LEU 104 HB2 -0.21 -0.01 -0.09 -0.04 1.64 1.29 1zo8H1 LEU 104 HB3 -0.16 -0.01 -0.04 -0.04 1.64 1.39 1zo8H1 LEU 104 HG -0.20 0.04 -0.09 -0.04 1.64 1.35 1zo8H1 LEU 104 HD13 -0.38 -0.03 -0.08 -0.04 0.93 0.41 1zo8H1 LEU 104 HD23 0.05 0.02 -0.46 -0.04 0.89 0.46 1zo8H1 GLN 105 H -0.14 0.34 -0.05 -0.55 8.47 8.08 1zo8H1 GLN 105 HA -0.08 0.22 0.98 -0.75 4.36 4.72 1zo8H1 GLN 105 HB2 -0.15 0.08 0.21 -0.04 2.15 2.26 1zo8H1 GLN 105 HB3 -0.09 -0.02 -0.05 -0.04 2.02 1.82 1zo8H1 GLN 105 HG2 -0.05 0.02 -0.07 -0.04 2.40 2.25 1zo8H1 GLN 105 HG3 -0.12 -0.04 -0.18 -0.04 2.39 2.02 1zo8H1 GLN 105 HE21 -0.08 -0.01 -0.01 -0.04 6.97 6.84 1zo8H1 GLN 105 HE22 -0.06 0.04 -0.06 -0.04 7.69 7.57 1zo8H1 ILE 106 H -0.12 0.54 0.25 -0.55 8.25 8.36 1zo8H1 ILE 106 HA -0.09 0.04 0.41 -0.75 4.18 3.79 1zo8H1 ILE 106 HB -0.09 0.15 0.25 -0.04 1.89 2.16 1zo8H1 ILE 106 HG12 -0.15 0.10 -0.05 -0.04 1.49 1.35 1zo8H1 ILE 106 HG13 -0.13 -0.03 0.00 -0.04 1.21 1.02 1zo8H1 ILE 106 HG23 -0.07 -0.01 -0.02 -0.04 0.93 0.79 1zo8H1 ILE 106 HD13 -0.20 -0.00 -0.03 -0.04 0.88 0.61 1zo8H1 ARG 107 H -0.08 0.32 -0.20 -0.55 8.46 7.95 1zo8H1 ARG 107 HA -0.04 -0.01 0.44 -0.75 4.34 3.97 1zo8H1 ARG 107 HB2 -0.06 0.05 0.15 -0.04 1.90 2.01 1zo8H1 ARG 107 HB3 -0.09 0.21 0.05 -0.04 1.80 1.93 1zo8H1 ARG 107 HG2 -0.08 0.00 0.00 -0.04 1.67 1.56 1zo8H1 ARG 107 HG3 -0.11 -0.02 -0.26 -0.04 1.67 1.24 1zo8H1 ARG 107 HD2 -0.12 -0.02 -0.03 -0.04 3.22 3.01 1zo8H1 ARG 107 HD3 -0.07 -0.10 0.11 -0.04 3.22 3.12 1zo8H1 PRO 108 HA -0.26 0.00 0.43 -0.51 4.44 4.10 1zo8H1 PRO 108 HB2 -1.28 0.05 -0.04 -0.04 2.28 0.97 1zo8H1 PRO 108 HB3 -0.71 0.01 0.07 -0.04 2.02 1.34 1zo8H1 PRO 108 HG2 -0.20 0.21 0.00 -0.04 2.03 2.00 1zo8H1 PRO 108 HG3 -0.30 0.23 -0.05 -0.04 2.03 1.87 1zo8H1 PRO 108 HD2 -0.12 -0.15 -0.60 -0.04 3.68 2.77 1zo8H1 PRO 108 HD3 -0.17 0.17 -0.10 -0.04 3.65 3.51 1zo8H1 PHE 109 H 0.06 0.49 -0.39 -0.55 8.34 7.94 1zo8H1 PHE 109 HA 0.03 0.04 0.40 -0.75 4.62 4.33 1zo8H1 PHE 109 HB2 -0.03 0.08 0.07 -0.04 3.15 3.23 1zo8H1 PHE 109 HB3 -0.05 0.10 0.15 -0.04 3.06 3.21 1zo8H1 PHE 109 HD2 -0.00 0.02 -0.19 -0.04 7.28 7.07 1zo8H1 PHE 109 HE2 -0.01 0.01 -0.05 -0.04 7.38 7.29 1zo8H1 PHE 109 HZ -0.01 0.01 -0.03 -0.04 7.32 7.25 1zo8H1 ALA 110 H 0.14 0.68 -0.04 -0.55 8.40 8.63 1zo8H1 ALA 110 HA 0.13 -0.00 0.38 -0.75 4.34 4.10 1zo8H1 ALA 110 HB3 0.04 0.00 0.14 -0.04 1.41 1.55 1zo8H1 LEU 111 H -0.04 0.55 -0.22 -0.55 8.37 8.11 1zo8H1 LEU 111 HA -0.03 -0.04 0.38 -0.75 4.35 3.91 1zo8H1 LEU 111 HB2 -0.06 0.14 0.12 -0.04 1.64 1.80 1zo8H1 LEU 111 HB3 -0.03 -0.01 -0.06 -0.04 1.64 1.51 1zo8H1 LEU 111 HG -0.07 0.03 0.01 -0.04 1.64 1.57 1zo8H1 LEU 111 HD13 -0.12 -0.02 -0.11 -0.04 0.93 0.64 1zo8H1 LEU 111 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.71 1zo8H1 VAL 112 H -0.04 0.55 -0.12 -0.55 8.24 8.08 1zo8H1 VAL 112 HA -0.03 0.03 0.40 -0.75 4.13 3.78 1zo8H1 VAL 112 HB -0.14 0.08 0.13 -0.04 2.12 2.15 1zo8H1 VAL 112 HG13 -0.11 -0.00 -0.12 -0.04 0.97 0.70 1zo8H1 VAL 112 HG23 0.23 0.05 -0.00 -0.04 0.95 1.19 1zo8H1 ASN 113 H -0.23 0.80 -0.05 -0.55 8.53 8.49 1zo8H1 ASN 113 HA -0.21 0.00 0.37 -0.75 4.76 4.17 1zo8H1 ASN 113 HB2 -0.42 0.02 0.07 -0.04 2.88 2.50 1zo8H1 ASN 113 HB3 -0.06 0.06 0.12 -0.04 2.79 2.87 1zo8H1 ASN 113 HD21 0.01 -0.03 0.01 -0.04 7.03 6.98 1zo8H1 ASN 113 HD22 -0.12 0.01 0.04 -0.04 7.74 7.63 1zo8H1 ALA 114 H -0.06 0.35 -0.54 -0.55 8.40 7.60 1zo8H1 ALA 114 HA -0.03 0.08 0.63 -0.75 4.34 4.26 1zo8H1 ALA 114 HB3 -0.02 -0.01 0.02 -0.04 1.41 1.36 1zo8H1 VAL 115 H -0.05 0.38 -0.03 -0.55 8.24 7.99 1zo8H1 VAL 115 HA -0.03 0.15 0.88 -0.75 4.13 4.39 1zo8H1 VAL 115 HB -0.01 -0.04 0.01 -0.04 2.12 2.04 1zo8H1 VAL 115 HG13 -0.02 0.02 -0.12 -0.04 0.97 0.80 1zo8H1 VAL 115 HG23 -0.01 -0.01 0.03 -0.04 0.95 0.92 1zo8H1 ALA 116 H -0.08 0.57 -0.03 -0.55 8.40 8.31 1zo8H1 ALA 116 HA -0.09 0.06 0.33 -0.75 4.34 3.89 1zo8H1 ALA 116 HB3 -0.13 0.01 0.03 -0.04 1.41 1.29 1zo8H1 SER 117 H -0.08 0.18 -0.22 -0.55 8.46 7.80 1zo8H1 SER 117 HA -0.13 0.07 0.39 -0.75 4.49 4.07 1zo8H1 SER 117 HB2 -0.06 0.01 0.02 -0.04 3.95 3.88 1zo8H1 SER 117 HB3 -0.07 0.00 0.07 -0.04 3.93 3.88 1zo8H1 GLN 118 H -0.05 0.18 -0.20 -0.55 8.47 7.85 1zo8H1 GLN 118 HA -0.03 0.03 0.43 -0.75 4.36 4.03 1zo8H1 GLN 118 HB2 -0.01 0.02 0.10 -0.04 2.15 2.22 1zo8H1 GLN 118 HB3 -0.02 -0.06 0.11 -0.04 2.02 2.01 1zo8H1 GLN 118 HG2 -0.02 0.04 0.16 -0.04 2.40 2.54 1zo8H1 GLN 118 HG3 -0.02 0.15 -0.00 -0.04 2.39 2.48 1zo8H1 GLN 118 HE21 0.01 -0.03 0.01 -0.04 6.97 6.91 1zo8H1 GLN 118 HE22 -0.01 0.01 0.04 -0.04 7.69 7.70 1zo8H1 MET 119 H -0.05 0.33 -0.15 -0.55 8.47 8.05 1zo8H1 MET 119 HA -0.02 0.18 0.52 -0.75 4.52 4.43 1zo8H1 MET 119 HB2 -0.07 -0.01 0.10 -0.04 2.15 2.12 1zo8H1 MET 119 HB3 -0.05 0.05 -0.06 -0.04 2.03 1.92 1zo8H1 MET 119 HG2 -0.02 0.15 0.16 -0.04 2.63 2.88 1zo8H1 MET 119 HG3 -0.03 0.05 0.06 -0.04 2.56 2.60 1zo8H1 MET 119 HE3 0.01 0.03 -0.20 -0.04 2.10 1.90 1zo8H1 LYS 120 H -0.13 0.50 -0.10 -0.55 8.42 8.13 1zo8H1 LYS 120 HA -0.10 0.10 0.47 -0.75 4.32 4.04 1zo8H1 LYS 120 HB2 -0.29 0.01 0.15 -0.04 1.87 1.70 1zo8H1 LYS 120 HB3 -0.72 -0.05 -0.01 -0.04 1.79 0.98 1zo8H1 LYS 120 HG2 -0.79 -0.01 0.00 -0.04 1.46 0.62 1zo8H1 LYS 120 HG3 -0.28 0.09 0.03 -0.04 1.46 1.26 1zo8H1 LYS 120 HD2 -0.33 -0.06 -0.09 -0.04 1.69 1.17 1zo8H1 LYS 120 HD3 -0.30 -0.06 -0.19 -0.04 1.68 1.09 1zo8H1 LYS 120 HE2 -0.68 0.01 -0.05 -0.04 2.99 2.23 1zo8H1 LYS 120 HE3 -1.40 0.03 -0.05 -0.04 2.99 1.54 1zo8H1 LYS 121 H -0.07 0.52 -0.06 -0.55 8.42 8.26 1zo8H1 LYS 121 HA 0.00 -0.02 0.41 -0.75 4.32 3.96 1zo8H1 LYS 121 HB2 -0.02 0.10 0.14 -0.04 1.87 2.05 1zo8H1 LYS 121 HB3 -0.01 -0.07 0.05 -0.04 1.79 1.72 1zo8H1 LYS 121 HG2 -0.03 -0.09 0.05 -0.04 1.46 1.36 1zo8H1 LYS 121 HG3 -0.06 0.22 0.15 -0.04 1.46 1.73 1zo8H1 LYS 121 HD2 -0.03 0.02 -0.04 -0.04 1.69 1.60 1zo8H1 LYS 121 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.57 1zo8H1 LYS 121 HE2 -0.04 -0.05 -0.16 -0.04 2.99 2.69 1zo8H1 LYS 121 HE3 -0.03 -0.05 -0.08 -0.04 2.99 2.80 1zo8H1 ARG 122 H -0.00 0.34 -0.27 -0.55 8.46 7.98 1zo8H1 ARG 122 HA 0.02 0.08 0.75 -0.75 4.34 4.44 1zo8H1 ARG 122 HB2 0.01 -0.06 0.11 -0.04 1.90 1.92 1zo8H1 ARG 122 HB3 0.01 -0.08 0.05 -0.04 1.80 1.73 1zo8H1 ARG 122 HG2 -0.00 0.19 0.13 -0.04 1.67 1.95 1zo8H1 ARG 122 HG3 0.01 -0.00 -0.22 -0.04 1.67 1.41 1zo8H1 ARG 122 HD2 0.01 -0.09 -0.03 -0.04 3.22 3.08 1zo8H1 ARG 122 HD3 0.01 -0.06 -0.00 -0.04 3.22 3.12 1zo8H1 LYS 123 H 0.04 0.18 -0.37 -0.55 8.42 7.71 1zo8H1 LYS 123 HA 0.08 0.11 0.46 -0.75 4.32 4.22 1zo8H1 LYS 123 HB2 0.03 0.04 -0.12 -0.04 1.87 1.78 1zo8H1 LYS 123 HB3 0.03 -0.05 0.17 -0.04 1.79 1.90 1zo8H1 LYS 123 HG2 0.15 -0.04 0.12 -0.04 1.46 1.65 1zo8H1 LYS 123 HG3 0.10 0.07 -0.08 -0.04 1.46 1.51 1zo8H1 LYS 123 HD2 0.01 -0.05 -0.03 -0.04 1.69 1.59 1zo8H1 LYS 123 HD3 -0.01 -0.02 0.02 -0.04 1.68 1.62 1zo8H1 LYS 123 HE2 -0.06 0.02 0.04 -0.04 2.99 2.96 1zo8H1 LYS 123 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 1zo8H1 SER 124 H -0.00 0.44 0.09 -0.55 8.46 8.45 1zo8H1 SER 124 HA -0.03 0.20 0.55 -0.75 4.49 4.45 1zo8H1 SER 124 HB2 0.02 -0.08 0.14 -0.04 3.95 3.98 1zo8H1 SER 124 HB3 0.01 0.17 -0.17 -0.04 3.93 3.90 1zo8H1 GLY 125 H -0.12 0.27 0.26 -0.55 8.43 8.30 1zo8H1 GLY 125 HA2 0.04 0.15 0.50 -0.51 4.01 4.20 1zo8H1 GLY 125 HA3 -0.03 0.05 0.74 -0.51 4.01 4.26 1zo8H1 HIS 126 H 0.10 0.61 0.43 -0.55 8.41 9.00 1zo8H1 HIS 126 HA -0.00 0.28 0.91 -0.75 4.63 5.06 1zo8H1 HIS 126 HB2 0.00 -0.04 0.13 -0.04 3.26 3.31 1zo8H1 HIS 126 HB3 0.09 -0.07 -0.06 -0.04 3.20 3.11 1zo8H1 HIS 126 HD2 0.24 -0.08 0.01 -0.04 6.97 7.10 1zo8H1 HIS 126 HE1 0.01 0.00 -0.06 -0.04 7.75 7.66 1zo8H1 ILE 127 H 0.01 0.66 0.29 -0.55 8.25 8.66 1zo8H1 ILE 127 HA 0.06 0.14 1.11 -0.75 4.18 4.74 1zo8H1 ILE 127 HB -0.14 0.02 0.14 -0.04 1.89 1.87 1zo8H1 ILE 127 HG12 0.01 -0.02 -0.09 -0.04 1.49 1.34 1zo8H1 ILE 127 HG13 -0.04 0.03 -0.45 -0.04 1.21 0.71 1zo8H1 ILE 127 HG23 -0.06 -0.03 -0.15 -0.04 0.93 0.65 1zo8H1 ILE 127 HD13 -0.07 -0.01 -0.13 -0.04 0.88 0.63 1zo8H1 ILE 128 H 0.12 0.74 0.36 -0.55 8.25 8.92 1zo8H1 ILE 128 HA 0.14 0.23 1.04 -0.75 4.18 4.84 1zo8H1 ILE 128 HB 0.08 -0.02 0.14 -0.04 1.89 2.04 1zo8H1 ILE 128 HG12 0.16 -0.03 -0.53 -0.04 1.49 1.04 1zo8H1 ILE 128 HG13 0.02 0.02 -0.16 -0.04 1.21 1.04 1zo8H1 ILE 128 HG23 0.05 -0.03 -0.29 -0.04 0.93 0.62 1zo8H1 ILE 128 HD13 0.18 0.01 -0.15 -0.04 0.88 0.88 1zo8H1 PHE 129 H 0.16 0.71 0.41 -0.55 8.34 9.06 1zo8H1 PHE 129 HA 0.03 0.13 1.01 -0.75 4.62 5.04 1zo8H1 PHE 129 HB2 0.04 -0.02 0.23 -0.04 3.15 3.36 1zo8H1 PHE 129 HB3 0.04 0.02 -0.04 -0.04 3.06 3.04 1zo8H1 PHE 129 HD2 0.02 0.06 -0.23 -0.04 7.28 7.09 1zo8H1 PHE 129 HE2 -0.00 -0.02 -0.11 -0.04 7.38 7.21 1zo8H1 PHE 129 HZ -0.03 0.01 -0.17 -0.04 7.32 7.09 1zo8H1 ILE 130 H 0.12 0.74 0.32 -0.55 8.25 8.88 1zo8H1 ILE 130 HA 0.05 0.14 0.94 -0.75 4.18 4.56 1zo8H1 ILE 130 HB 0.04 -0.09 0.33 -0.04 1.89 2.13 1zo8H1 ILE 130 HG12 0.02 0.03 -0.27 -0.04 1.49 1.22 1zo8H1 ILE 130 HG13 -0.10 -0.06 -0.08 -0.04 1.21 0.94 1zo8H1 ILE 130 HG23 -0.41 -0.00 0.01 -0.04 0.93 0.49 1zo8H1 ILE 130 HD13 -0.05 0.01 -0.18 -0.04 0.88 0.62 1zo8H1 THR 131 H 0.16 0.54 0.11 -0.55 8.28 8.53 1zo8H1 THR 131 HA 0.19 0.22 1.00 -0.75 4.39 5.05 1zo8H1 THR 131 HB 0.13 0.03 0.17 -0.04 4.32 4.61 1zo8H1 THR 131 HG23 0.18 0.01 -0.25 -0.04 1.22 1.11 1zo8H1 SER 132 H 0.22 0.29 0.21 -0.55 8.46 8.64 1zo8H1 SER 132 HA 0.29 0.26 0.63 -0.75 4.49 4.92 1zo8H1 SER 132 HB2 0.17 0.21 -0.07 -0.04 3.95 4.22 1zo8H1 SER 132 HB3 0.10 -0.05 -0.06 -0.04 3.93 3.88 1zo8H1 ALA 133 H 0.17 0.59 -0.01 -0.55 8.40 8.61 1zo8H1 ALA 133 HA 0.59 0.15 0.68 -0.75 4.34 5.01 1zo8H1 ALA 133 HB3 0.19 0.09 -0.18 -0.04 1.41 1.47 1zo8H1 THR 134 H 0.06 0.04 -0.22 -0.55 8.28 7.61 1zo8H1 THR 134 HA -0.20 0.16 0.23 -0.75 4.39 3.83 1zo8H1 THR 134 HB -0.09 -0.04 -0.05 -0.04 4.32 4.10 1zo8H1 THR 134 HG23 -0.36 0.01 0.02 -0.04 1.22 0.84 1zo8H1 PRO 135 HA 0.01 0.04 0.34 -0.51 4.44 4.31 1zo8H1 PRO 135 HB2 0.23 0.06 -0.09 -0.04 2.28 2.45 1zo8H1 PRO 135 HB3 0.11 0.00 0.03 -0.04 2.02 2.12 1zo8H1 PRO 135 HG2 0.21 0.06 -0.19 -0.04 2.03 2.06 1zo8H1 PRO 135 HG3 0.09 0.17 -0.01 -0.04 2.03 2.23 1zo8H1 PRO 135 HD2 0.27 0.26 -0.35 -0.04 3.68 3.82 1zo8H1 PRO 135 HD3 0.12 -0.09 -0.18 -0.04 3.65 3.46 1zo8H1 PHE 136 H -0.18 0.25 -0.46 -0.55 8.34 7.40 1zo8H1 PHE 136 HA -0.44 0.02 0.39 -0.75 4.62 3.84 1zo8H1 PHE 136 HB2 -2.03 -0.11 0.07 -0.04 3.15 1.04 1zo8H1 PHE 136 HB3 -0.62 0.14 0.04 -0.04 3.06 2.58 1zo8H1 PHE 136 HD2 -0.73 -0.00 -0.09 -0.04 7.28 6.42 1zo8H1 PHE 136 HE2 -0.19 0.02 0.02 -0.04 7.38 7.19 1zo8H1 PHE 136 HZ -0.15 -0.02 0.02 -0.04 7.32 7.13 1zo8H1 GLY 137 H -0.05 0.19 -0.41 -0.55 8.43 7.61 1zo8H1 GLY 137 HA2 -0.24 0.15 0.64 -0.51 4.01 4.05 1zo8H1 GLY 137 HA3 -0.27 -0.05 0.26 -0.51 4.01 3.44 1zo8H1 PRO 138 HA -0.10 -0.04 0.49 -0.51 4.44 4.28 1zo8H1 PRO 138 HB2 0.02 -0.05 -0.04 -0.04 2.28 2.17 1zo8H1 PRO 138 HB3 0.03 -0.09 -0.01 -0.04 2.02 1.91 1zo8H1 PRO 138 HG2 -0.04 -0.03 0.01 -0.04 2.03 1.93 1zo8H1 PRO 138 HG3 -0.04 0.07 0.02 -0.04 2.03 2.03 1zo8H1 PRO 138 HD2 -0.10 0.03 0.06 -0.04 3.68 3.63 1zo8H1 PRO 138 HD3 -0.16 0.30 -0.34 -0.04 3.65 3.41 1zo8H1 TRP 139 H 0.16 0.04 0.16 -0.55 7.97 7.78 1zo8H1 TRP 139 HA 0.15 0.16 0.64 -0.75 4.62 4.81 1zo8H1 TRP 139 HB2 0.30 -0.09 0.00 -0.04 3.23 3.40 1zo8H1 TRP 139 HB3 0.25 0.06 0.04 -0.04 3.23 3.53 1zo8H1 TRP 139 HD1 0.22 0.03 -0.00 -0.04 7.22 7.42 1zo8H1 TRP 139 HE1 0.46 0.03 -0.02 -0.04 10.20 10.63 1zo8H1 TRP 139 HE3 0.22 -0.06 -0.01 -0.04 7.59 7.70 1zo8H1 TRP 139 HZ2 0.16 0.01 -0.02 -0.04 7.44 7.55 1zo8H1 TRP 139 HZ3 -0.06 -0.03 0.00 -0.04 7.13 7.00 1zo8H1 TRP 139 HH2 -0.14 -0.06 0.01 -0.04 7.19 6.96 1zo8H1 LYS 140 H 0.31 0.15 0.12 -0.55 8.42 8.44 1zo8H1 LYS 140 HA 0.17 0.03 0.48 -0.75 4.32 4.24 1zo8H1 LYS 140 HB2 0.12 0.07 0.09 -0.04 1.87 2.11 1zo8H1 LYS 140 HB3 0.14 0.03 0.14 -0.04 1.79 2.05 1zo8H1 LYS 140 HG2 0.09 0.00 -0.24 -0.04 1.46 1.28 1zo8H1 LYS 140 HG3 0.09 -0.10 0.04 -0.04 1.46 1.45 1zo8H1 LYS 140 HD2 0.04 -0.02 -0.01 -0.04 1.69 1.65 1zo8H1 LYS 140 HD3 0.06 0.03 0.01 -0.04 1.68 1.74 1zo8H1 LYS 140 HE2 0.06 0.03 0.02 -0.04 2.99 3.05 1zo8H1 LYS 140 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 1zo8H1 GLU 141 H 0.15 0.09 0.16 -0.55 8.60 8.45 1zo8H1 GLU 141 HA 0.14 -0.01 0.37 -0.75 4.29 4.03 1zo8H1 GLU 141 HB2 0.22 0.29 -0.17 -0.04 2.09 2.39 1zo8H1 GLU 141 HB3 0.15 -0.09 -0.01 -0.04 1.99 1.99 1zo8H1 GLU 141 HG2 0.04 -0.08 -0.14 -0.04 2.34 2.12 1zo8H1 GLU 141 HG3 0.08 -0.05 -0.24 -0.04 2.34 2.09 1zo8H1 LEU 142 H 0.21 0.21 -0.14 -0.55 8.37 8.11 1zo8H1 LEU 142 HA 0.10 0.18 0.71 -0.75 4.35 4.59 1zo8H1 LEU 142 HB2 -0.07 0.14 -0.22 -0.04 1.64 1.45 1zo8H1 LEU 142 HB3 0.21 0.05 0.03 -0.04 1.64 1.88 1zo8H1 LEU 142 HG 0.04 -0.26 0.11 -0.04 1.64 1.49 1zo8H1 LEU 142 HD13 -0.70 0.04 -0.06 -0.04 0.93 0.16 1zo8H1 LEU 142 HD23 -0.13 0.03 -0.02 -0.04 0.89 0.73 1zo8H1 SER 143 H 0.22 0.18 0.01 -0.55 8.46 8.33 1zo8H1 SER 143 HA 0.05 0.14 0.37 -0.75 4.49 4.30 1zo8H1 SER 143 HB2 -0.05 0.08 0.05 -0.04 3.95 3.98 1zo8H1 SER 143 HB3 0.07 0.01 0.13 -0.04 3.93 4.09 1zo8H1 THR 144 H -0.13 0.11 -0.18 -0.55 8.28 7.52 1zo8H1 THR 144 HA -0.37 0.11 0.41 -0.75 4.39 3.79 1zo8H1 THR 144 HB -0.02 0.07 -0.01 -0.04 4.32 4.32 1zo8H1 THR 144 HG23 -0.81 -0.00 -0.07 -0.04 1.22 0.29 1zo8H1 TYR 145 H 0.15 0.11 -0.09 -0.55 8.29 7.91 1zo8H1 TYR 145 HA -0.00 0.06 0.35 -0.75 4.56 4.22 1zo8H1 TYR 145 HB2 0.09 -0.02 0.07 -0.04 3.06 3.16 1zo8H1 TYR 145 HB3 -0.02 0.05 0.08 -0.04 2.98 3.05 1zo8H1 TYR 145 HD2 0.10 -0.02 -0.19 -0.04 7.15 7.01 1zo8H1 TYR 145 HE2 -0.07 -0.01 -0.01 -0.04 6.85 6.71 1zo8H1 THR 146 H 0.17 0.45 -0.17 -0.55 8.28 8.19 1zo8H1 THR 146 HA 0.09 0.02 0.30 -0.75 4.39 4.05 1zo8H1 THR 146 HB 0.08 0.01 0.02 -0.04 4.32 4.39 1zo8H1 THR 146 HG23 0.04 -0.01 -0.31 -0.04 1.22 0.89 1zo8H1 SER 147 H 0.03 0.46 -0.18 -0.55 8.46 8.23 1zo8H1 SER 147 HA 0.04 0.08 0.48 -0.75 4.49 4.34 1zo8H1 SER 147 HB2 0.09 -0.04 0.05 -0.04 3.95 4.01 1zo8H1 SER 147 HB3 0.02 -0.01 0.11 -0.04 3.93 4.02 1zo8H1 ALA 148 H 0.03 0.48 -0.19 -0.55 8.40 8.17 1zo8H1 ALA 148 HA -0.05 0.02 0.41 -0.75 4.34 3.97 1zo8H1 ALA 148 HB3 -0.15 0.01 -0.06 -0.04 1.41 1.17 1zo8H1 ARG 149 H -0.16 0.51 -0.22 -0.55 8.46 8.04 1zo8H1 ARG 149 HA -0.09 0.08 0.41 -0.75 4.34 3.99 1zo8H1 ARG 149 HB2 -0.08 0.13 0.10 -0.04 1.90 2.02 1zo8H1 ARG 149 HB3 0.01 -0.07 -0.01 -0.04 1.80 1.70 1zo8H1 ARG 149 HG2 -0.81 0.17 0.02 -0.04 1.67 1.02 1zo8H1 ARG 149 HG3 -0.39 -0.09 -0.08 -0.04 1.67 1.07 1zo8H1 ARG 149 HD2 -0.03 -0.13 -0.11 -0.04 3.22 2.90 1zo8H1 ARG 149 HD3 -0.22 0.01 -0.05 -0.04 3.22 2.91 1zo8H1 ALA 150 H 0.02 0.38 -0.29 -0.55 8.40 7.96 1zo8H1 ALA 150 HA 0.13 0.03 0.45 -0.75 4.34 4.19 1zo8H1 ALA 150 HB3 0.07 0.05 0.10 -0.04 1.41 1.59 1zo8H1 GLY 151 H 0.02 0.47 -0.21 -0.55 8.43 8.15 1zo8H1 GLY 151 HA2 0.03 0.01 0.42 -0.51 4.01 3.97 1zo8H1 GLY 151 HA3 0.00 0.04 0.31 -0.51 4.01 3.85 1zo8H1 ALA 152 H 0.02 0.44 -0.26 -0.55 8.40 8.05 1zo8H1 ALA 152 HA 0.11 -0.00 0.48 -0.75 4.34 4.19 1zo8H1 ALA 152 HB3 0.03 0.08 0.17 -0.04 1.41 1.65 1zo8H1 CYS 153 H 0.10 0.49 -0.13 -0.55 8.50 8.41 1zo8H1 CYS 153 HA 0.09 -0.01 0.44 -0.75 4.58 4.35 1zo8H1 CYS 153 HB2 0.13 0.11 0.20 -0.04 2.97 3.37 1zo8H1 CYS 153 HB3 0.05 -0.02 0.01 -0.04 2.97 2.97 1zo8H1 THR 154 H 0.08 0.55 -0.13 -0.55 8.28 8.23 1zo8H1 THR 154 HA 0.03 0.05 0.46 -0.75 4.39 4.17 1zo8H1 THR 154 HB 0.05 0.10 0.11 -0.04 4.32 4.55 1zo8H1 THR 154 HG23 0.03 -0.02 -0.04 -0.04 1.22 1.15 1zo8H1 LEU 155 H 0.11 0.41 -0.30 -0.55 8.37 8.04 1zo8H1 LEU 155 HA 0.09 -0.01 0.38 -0.75 4.35 4.06 1zo8H1 LEU 155 HB2 0.18 0.17 0.20 -0.04 1.64 2.15 1zo8H1 LEU 155 HB3 0.40 0.06 0.04 -0.04 1.64 2.11 1zo8H1 LEU 155 HG 0.22 -0.03 0.00 -0.04 1.64 1.80 1zo8H1 LEU 155 HD13 0.38 -0.01 -0.06 -0.04 0.93 1.20 1zo8H1 LEU 155 HD23 0.21 -0.01 -0.01 -0.04 0.89 1.03 1zo8H1 ALA 156 H 0.07 0.48 -0.24 -0.55 8.40 8.17 1zo8H1 ALA 156 HA -0.41 -0.01 0.32 -0.75 4.34 3.49 1zo8H1 ALA 156 HB3 -0.29 0.04 -0.09 -0.04 1.41 1.03 1zo8H1 ASN 157 H -0.06 0.42 -0.13 -0.55 8.53 8.22 1zo8H1 ASN 157 HA -0.12 0.06 0.44 -0.75 4.76 4.39 1zo8H1 ASN 157 HB2 -0.06 0.07 0.14 -0.04 2.88 2.98 1zo8H1 ASN 157 HB3 -0.03 -0.01 0.16 -0.04 2.79 2.87 1zo8H1 ASN 157 HD21 -0.07 -0.07 0.05 -0.04 7.03 6.91 1zo8H1 ASN 157 HD22 -0.10 0.45 0.23 -0.04 7.74 8.28 1zo8H1 ALA 158 H -0.03 0.69 -0.16 -0.55 8.40 8.36 1zo8H1 ALA 158 HA -0.03 0.01 0.45 -0.75 4.34 4.01 1zo8H1 ALA 158 HB3 0.01 -0.00 0.09 -0.04 1.41 1.47 1zo8H1 LEU 159 H -0.07 0.64 -0.13 -0.55 8.37 8.27 1zo8H1 LEU 159 HA -0.06 -0.04 0.42 -0.75 4.35 3.91 1zo8H1 LEU 159 HB2 -0.18 0.14 0.13 -0.04 1.64 1.69 1zo8H1 LEU 159 HB3 -0.14 -0.06 -0.01 -0.04 1.64 1.40 1zo8H1 LEU 159 HG -0.02 0.19 0.06 -0.04 1.64 1.83 1zo8H1 LEU 159 HD13 -0.06 -0.03 -0.12 -0.04 0.93 0.68 1zo8H1 LEU 159 HD23 -0.08 -0.03 -0.02 -0.04 0.89 0.72 1zo8H1 SER 160 H -0.14 0.52 -0.28 -0.55 8.46 8.01 1zo8H1 SER 160 HA -0.18 0.03 0.40 -0.75 4.49 3.99 1zo8H1 SER 160 HB2 -0.22 -0.10 0.04 -0.04 3.95 3.62 1zo8H1 SER 160 HB3 -0.23 0.06 0.22 -0.04 3.93 3.94 1zo8H1 LYS 161 H -0.08 0.37 -0.34 -0.55 8.42 7.81 1zo8H1 LYS 161 HA -0.07 0.04 0.37 -0.75 4.32 3.90 1zo8H1 LYS 161 HB2 -0.04 0.12 0.12 -0.04 1.87 2.03 1zo8H1 LYS 161 HB3 -0.04 -0.07 0.06 -0.04 1.79 1.69 1zo8H1 LYS 161 HG2 -0.06 0.22 0.17 -0.04 1.46 1.75 1zo8H1 LYS 161 HG3 -0.04 -0.09 0.06 -0.04 1.46 1.36 1zo8H1 LYS 161 HD2 -0.05 -0.05 0.03 -0.04 1.69 1.57 1zo8H1 LYS 161 HD3 -0.08 -0.00 -0.05 -0.04 1.68 1.51 1zo8H1 LYS 161 HE2 -0.07 0.10 0.01 -0.04 2.99 2.99 1zo8H1 LYS 161 HE3 -0.04 -0.07 -0.01 -0.04 2.99 2.84 1zo8H1 GLU 162 H -0.04 0.29 -0.15 -0.55 8.60 8.16 1zo8H1 GLU 162 HA 0.01 0.14 0.83 -0.75 4.29 4.52 1zo8H1 GLU 162 HB2 0.04 -0.03 0.04 -0.04 2.09 2.10 1zo8H1 GLU 162 HB3 -0.00 -0.03 0.05 -0.04 1.99 1.97 1zo8H1 GLU 162 HG2 -0.04 0.10 0.17 -0.04 2.34 2.54 1zo8H1 GLU 162 HG3 -0.02 0.06 -0.11 -0.04 2.34 2.23 1zo8H1 LEU 163 H -0.04 0.58 0.05 -0.55 8.37 8.41 1zo8H1 LEU 163 HA 0.15 0.08 0.56 -0.75 4.35 4.39 1zo8H1 LEU 163 HB2 -0.09 0.14 0.01 -0.04 1.64 1.66 1zo8H1 LEU 163 HB3 -0.05 -0.01 0.02 -0.04 1.64 1.56 1zo8H1 LEU 163 HG -0.07 0.07 0.05 -0.04 1.64 1.64 1zo8H1 LEU 163 HD13 -0.11 -0.02 -0.12 -0.04 0.93 0.64 1zo8H1 LEU 163 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 1zo8H1 GLY 164 H -0.05 0.36 -0.30 -0.55 8.43 7.89 1zo8H1 GLY 164 HA2 -0.08 0.03 0.33 -0.51 4.01 3.78 1zo8H1 GLY 164 HA3 -0.09 0.11 0.26 -0.51 4.01 3.78 1zo8H1 GLU 165 H -0.06 0.25 -0.37 -0.55 8.60 7.87 1zo8H1 GLU 165 HA -0.16 0.04 0.39 -0.75 4.29 3.80 1zo8H1 TYR 166 H 0.04 0.31 -0.61 -0.55 8.29 7.48 1zo8H1 TYR 166 HA -0.04 0.16 0.76 -0.75 4.56 4.69 1zo8H1 TYR 166 HB2 -0.06 0.07 0.04 -0.04 3.06 3.07 1zo8H1 TYR 166 HB3 -0.05 0.03 0.19 -0.04 2.98 3.11 1zo8H1 TYR 166 HD2 -0.04 0.15 0.06 -0.04 7.15 7.27 1zo8H1 TYR 166 HE2 -0.03 -0.01 -0.03 -0.04 6.85 6.74 1zo8H1 ASN 167 H -0.04 0.43 -0.40 -0.55 8.53 7.97 1zo8H1 ASN 167 HA -0.05 -0.01 0.28 -0.75 4.76 4.23 1zo8H1 ASN 167 HB2 -0.02 -0.06 -0.16 -0.04 2.88 2.59 1zo8H1 ASN 167 HB3 -0.02 0.35 0.10 -0.04 2.79 3.19 1zo8H1 ASN 167 HD21 -0.00 -0.11 0.11 -0.04 7.03 6.98 1zo8H1 ASN 167 HD22 -0.01 0.23 0.20 -0.04 7.74 8.12 1zo8H1 ILE 168 H -0.05 0.31 -0.22 -0.55 8.25 7.74 1zo8H1 ILE 168 HA -0.19 0.44 0.93 -0.75 4.18 4.60 1zo8H1 ILE 168 HB -0.06 -0.10 -0.05 -0.04 1.89 1.64 1zo8H1 ILE 168 HG12 -0.07 0.04 -0.47 -0.04 1.49 0.96 1zo8H1 ILE 168 HG13 -0.00 0.18 -0.69 -0.04 1.21 0.65 1zo8H1 ILE 168 HG23 -0.12 -0.02 -0.38 -0.04 0.93 0.36 1zo8H1 ILE 168 HD13 -0.05 -0.04 -0.32 -0.04 0.88 0.43 1zo8H1 PRO 169 HA -0.33 0.03 0.62 -0.51 4.44 4.26 1zo8H1 PRO 169 HB2 -0.08 -0.02 0.06 -0.04 2.28 2.21 1zo8H1 PRO 169 HB3 -0.30 0.02 0.16 -0.04 2.02 1.86 1zo8H1 PRO 169 HG2 -0.03 -0.03 0.11 -0.04 2.03 2.04 1zo8H1 PRO 169 HG3 -0.11 0.02 -0.00 -0.04 2.03 1.90 1zo8H1 PRO 169 HD2 -0.68 0.20 0.39 -0.04 3.68 3.55 1zo8H1 PRO 169 HD3 -0.30 0.37 0.03 -0.04 3.65 3.72 1zo8H1 VAL 170 H -0.58 0.12 0.27 -0.55 8.24 7.50 1zo8H1 VAL 170 HA -0.31 0.31 1.03 -0.75 4.13 4.41 1zo8H1 VAL 170 HB -0.31 -0.04 0.10 -0.04 2.12 1.83 1zo8H1 VAL 170 HG13 -0.41 -0.03 -0.09 -0.04 0.97 0.41 1zo8H1 VAL 170 HG23 -0.22 0.03 -0.31 -0.04 0.95 0.41 1zo8H1 PHE 171 H -0.04 0.66 0.39 -0.55 8.34 8.80 1zo8H1 PHE 171 HA -0.05 0.25 0.95 -0.75 4.62 5.01 1zo8H1 PHE 171 HB2 0.07 -0.08 -0.06 -0.04 3.15 3.05 1zo8H1 PHE 171 HB3 0.34 0.07 0.06 -0.04 3.06 3.49 1zo8H1 PHE 171 HD2 0.12 0.08 -0.12 -0.04 7.28 7.32 1zo8H1 PHE 171 HE2 0.14 0.02 -0.32 -0.04 7.38 7.17 1zo8H1 PHE 171 HZ 0.07 0.02 -0.08 -0.04 7.32 7.29 1zo8H1 ALA 172 H 0.16 0.68 0.36 -0.55 8.40 9.06 1zo8H1 ALA 172 HA 0.13 0.20 1.04 -0.75 4.34 4.95 1zo8H1 ALA 172 HB3 0.00 -0.01 0.07 -0.04 1.41 1.43 1zo8H1 ILE 173 H 0.11 0.81 0.39 -0.55 8.25 9.01 1zo8H1 ILE 173 HA 0.10 0.15 1.02 -0.75 4.18 4.70 1zo8H1 ILE 173 HB -0.00 -0.02 0.19 -0.04 1.89 2.02 1zo8H1 ILE 173 HG12 -0.15 -0.01 -0.11 -0.04 1.49 1.19 1zo8H1 ILE 173 HG13 -0.17 0.03 -0.10 -0.04 1.21 0.93 1zo8H1 ILE 173 HG23 -0.03 -0.02 -0.16 -0.04 0.93 0.68 1zo8H1 ILE 173 HD13 0.04 -0.04 -0.45 -0.04 0.88 0.39 1zo8H1 GLY 174 H 0.00 0.89 0.20 -0.55 8.43 8.98 1zo8H1 GLY 174 HA2 0.21 0.07 0.63 -0.51 4.01 4.40 1zo8H1 GLY 174 HA3 0.28 0.12 0.04 -0.51 4.01 3.94 1zo8H1 PRO 175 HA 0.15 0.30 0.72 -0.51 4.44 5.09 1zo8H1 PRO 175 HB2 0.21 -0.06 -0.08 -0.04 2.28 2.31 1zo8H1 PRO 175 HB3 0.07 0.07 0.05 -0.04 2.02 2.17 1zo8H1 PRO 175 HG2 -0.21 0.02 -0.05 -0.04 2.03 1.75 1zo8H1 PRO 175 HG3 -0.04 0.02 -0.14 -0.04 2.03 1.83 1zo8H1 PRO 175 HD2 0.41 0.21 -0.00 -0.04 3.68 4.26 1zo8H1 PRO 175 HD3 0.14 0.43 0.02 -0.04 3.65 4.21 1zo8H1 ASN 176 H 0.05 0.67 0.25 -0.55 8.53 8.95 1zo8H1 ASN 176 HA -0.04 0.04 0.42 -0.75 4.76 4.42 1zo8H1 ASN 176 HB2 -0.25 -0.04 -0.19 -0.04 2.88 2.36 1zo8H1 ASN 176 HB3 -0.38 0.09 -0.06 -0.04 2.79 2.40 1zo8H1 ASN 176 HD21 -0.94 0.02 -0.04 -0.04 7.03 6.03 1zo8H1 ASN 176 HD22 -1.66 0.07 -0.14 -0.04 7.74 5.97 1zo8H1 TYR 177 H -0.80 0.16 0.09 -0.55 8.29 7.19 1zo8H1 TYR 177 HA -1.92 0.06 0.27 -0.75 4.56 2.21 1zo8H1 TYR 177 HB2 -0.28 0.22 -0.08 -0.04 3.06 2.88 1zo8H1 TYR 177 HB3 -0.37 -0.00 0.20 -0.04 2.98 2.77 1zo8H1 TYR 177 HD2 -0.53 0.02 -0.13 -0.04 7.15 6.47 1zo8H1 TYR 177 HE2 0.02 0.02 -0.06 -0.04 6.85 6.80 1zo8H1 LEU 178 H -0.01 0.02 -0.33 -0.55 8.37 7.51 1zo8H1 LEU 178 HA 0.06 0.06 0.62 -0.75 4.35 4.35 1zo8H1 LEU 178 HB2 0.11 0.04 -0.09 -0.04 1.64 1.65 1zo8H1 LEU 178 HB3 0.28 -0.07 -0.03 -0.04 1.64 1.78 1zo8H1 LEU 178 HG 0.16 0.10 -0.51 -0.04 1.64 1.36 1zo8H1 LEU 178 HD13 0.05 0.00 -0.36 -0.04 0.93 0.58 1zo8H1 LEU 178 HD23 -0.00 -0.01 -0.19 -0.04 0.89 0.65 1zo8H1 HIS 179 H 0.18 0.69 0.22 -0.55 8.41 8.95 1zo8H1 HIS 179 HA 0.15 0.16 0.42 -0.75 4.63 4.60 1zo8H1 HIS 179 HB2 0.09 0.09 0.11 -0.04 3.26 3.51 1zo8H1 HIS 179 HB3 0.08 -0.11 0.21 -0.04 3.20 3.34 1zo8H1 HIS 179 HD2 0.19 0.36 0.03 -0.04 6.97 7.51 1zo8H1 HIS 179 HE1 0.08 0.04 -0.00 -0.04 7.75 7.82 1zo8H1 SER 180 H 0.27 0.58 0.10 -0.55 8.46 8.86 1zo8H1 SER 180 HA 0.06 0.23 0.80 -0.75 4.49 4.83 1zo8H1 SER 180 HB2 0.14 -0.04 0.01 -0.04 3.95 4.02 1zo8H1 SER 180 HB3 0.24 0.00 0.00 -0.04 3.93 4.14 1zo8H1 GLU 181 H -0.49 0.12 -0.13 -0.55 8.60 7.56 1zo8H1 GLU 181 HA -0.13 -0.02 0.38 -0.75 4.29 3.77 1zo8H1 GLU 181 HB2 -0.09 0.14 -0.14 -0.04 2.09 1.95 1zo8H1 GLU 181 HB3 -0.05 0.03 0.13 -0.04 1.99 2.06 1zo8H1 GLU 181 HG2 -0.27 0.03 -0.01 -0.04 2.34 2.04 1zo8H1 GLU 181 HG3 -0.69 -0.02 -0.20 -0.04 2.34 1.40 1zo8H1 ASP 182 H 0.01 0.18 0.29 -0.55 8.40 8.33 1zo8H1 ASP 182 HA 0.06 0.11 0.78 -0.75 4.63 4.82 1zo8H1 ASP 182 HB2 0.04 0.04 0.13 -0.04 2.71 2.87 1zo8H1 ASP 182 HB3 0.04 0.01 0.12 -0.04 2.70 2.83 1zo8H1 SER 183 H 0.06 0.44 0.04 -0.55 8.46 8.45 1zo8H1 SER 183 HA 0.15 0.14 0.64 -0.75 4.49 4.66 1zo8H1 SER 183 HB2 0.12 0.31 0.30 -0.04 3.95 4.63 1zo8H1 SER 183 HB3 0.13 0.15 0.23 -0.04 3.93 4.40 1zo8H1 PRO 184 HA -0.06 0.14 0.39 -0.51 4.44 4.39 1zo8H1 PRO 184 HB2 -0.40 0.02 0.07 -0.04 2.28 1.94 1zo8H1 PRO 184 HB3 -0.15 0.06 0.11 -0.04 2.02 1.99 1zo8H1 PRO 184 HG2 -0.91 -0.01 -0.02 -0.04 2.03 1.06 1zo8H1 PRO 184 HG3 -0.25 0.04 0.06 -0.04 2.03 1.83 1zo8H1 PRO 184 HD2 0.24 0.03 0.24 -0.04 3.68 4.15 1zo8H1 PRO 184 HD3 0.04 0.24 0.24 -0.04 3.65 4.13 1zo8H1 TYR 185 H 0.01 0.03 -0.49 -0.55 8.29 7.29 1zo8H1 TYR 185 HA -0.93 0.23 0.88 -0.75 4.56 3.99 1zo8H1 TYR 185 HB2 -0.38 -0.20 0.22 -0.04 3.06 2.67 1zo8H1 TYR 185 HB3 -1.63 0.07 0.07 -0.04 2.98 1.45 1zo8H1 TYR 185 HD2 -0.60 0.04 0.01 -0.04 7.15 6.55 1zo8H1 TYR 185 HE2 -0.43 -0.02 -0.22 -0.04 6.85 6.15 1zo8H1 PHE 186 H 0.32 0.06 0.09 -0.55 8.34 8.26 1zo8H1 PHE 186 HA -0.12 0.42 0.49 -0.75 4.62 4.65 1zo8H1 PHE 186 HB2 -0.14 -0.02 0.03 -0.04 3.15 2.97 1zo8H1 PHE 186 HB3 -0.37 0.06 0.19 -0.04 3.06 2.90 1zo8H1 PHE 186 HD2 -0.24 0.05 0.01 -0.04 7.28 7.06 1zo8H1 PHE 186 HE2 -0.88 0.22 0.11 -0.04 7.38 6.79 1zo8H1 PHE 186 HZ -0.04 -0.09 0.16 -0.04 7.32 7.30 1zo8H1 TYR 187 H 0.24 0.05 -0.10 -0.55 8.29 7.93 1zo8H1 TYR 187 HA -0.13 0.27 0.82 -0.75 4.56 4.77 1zo8H1 TYR 187 HB2 -0.01 0.16 -0.08 -0.04 3.06 3.09 1zo8H1 TYR 187 HB3 -0.27 0.02 -0.02 -0.04 2.98 2.67 1zo8H1 TYR 187 HD2 -1.40 0.02 -0.08 -0.04 7.15 5.65 1zo8H1 TYR 187 HE2 -0.79 0.01 0.01 -0.04 6.85 6.05 1zo8H1 PRO 188 HA 0.23 0.01 0.27 -0.51 4.44 4.45 1zo8H1 PRO 188 HB2 0.14 -0.01 -0.05 -0.04 2.28 2.31 1zo8H1 PRO 188 HB3 0.12 0.15 -0.33 -0.04 2.02 1.91 1zo8H1 PRO 188 HG2 0.26 0.08 -0.07 -0.04 2.03 2.27 1zo8H1 PRO 188 HG3 0.11 0.02 -0.02 -0.04 2.03 2.10 1zo8H1 PRO 188 HD2 0.37 0.18 -0.12 -0.04 3.68 4.07 1zo8H1 PRO 188 HD3 0.12 0.12 -0.28 -0.04 3.65 3.57 1zo8H1 THR 189 H 0.25 0.61 0.25 -0.55 8.28 8.84 1zo8H1 THR 189 HA 0.32 0.02 0.35 -0.75 4.39 4.33 1zo8H1 THR 189 HB 0.16 0.03 0.08 -0.04 4.32 4.54 1zo8H1 THR 189 HG23 0.12 0.00 -0.11 -0.04 1.22 1.19 1zo8H1 GLU 190 H 0.11 0.23 -0.17 -0.55 8.60 8.22 1zo8H1 GLU 190 HA -0.03 0.03 0.76 -0.75 4.29 4.29 1zo8H1 GLU 190 HB2 -0.02 0.06 0.00 -0.04 2.09 2.09 1zo8H1 GLU 190 HB3 -0.03 0.02 0.04 -0.04 1.99 1.98 1zo8H1 GLU 190 HG2 0.05 -0.03 0.05 -0.04 2.34 2.37 1zo8H1 GLU 190 HG3 0.01 0.05 0.00 -0.04 2.34 2.37 1zo8H1 PRO 191 HA -0.20 -0.00 0.44 -0.51 4.44 4.17 1zo8H1 PRO 191 HB2 -0.91 -0.05 0.12 -0.04 2.28 1.39 1zo8H1 PRO 191 HB3 -0.44 0.05 0.07 -0.04 2.02 1.67 1zo8H1 PRO 191 HG2 -1.74 0.05 -0.07 -0.04 2.03 0.24 1zo8H1 PRO 191 HG3 -0.90 0.05 0.04 -0.04 2.03 1.19 1zo8H1 PRO 191 HD2 -0.32 0.14 0.27 -0.04 3.68 3.73 1zo8H1 PRO 191 HD3 -0.24 0.13 0.13 -0.04 3.65 3.63 1zo8H1 TRP 192 H 0.01 0.41 -0.23 -0.55 7.97 7.61 1zo8H1 TRP 192 HA 0.16 0.00 0.27 -0.75 4.62 4.30 1zo8H1 TRP 192 HB2 0.20 0.23 -0.13 -0.04 3.23 3.49 1zo8H1 TRP 192 HB3 0.24 -0.03 -0.03 -0.04 3.23 3.37 1zo8H1 TRP 192 HD1 0.15 0.16 -0.15 -0.04 7.22 7.34 1zo8H1 TRP 192 HE1 -0.01 0.09 0.07 -0.04 10.20 10.31 1zo8H1 TRP 192 HE3 0.39 0.06 -0.00 -0.04 7.59 8.00 1zo8H1 TRP 192 HZ2 0.05 0.02 0.03 -0.04 7.44 7.50 1zo8H1 TRP 192 HZ3 0.52 0.02 0.04 -0.04 7.13 7.67 1zo8H1 TRP 192 HH2 0.04 0.00 0.00 -0.04 7.19 7.20 1zo8H1 LYS 193 H 0.13 0.61 -0.07 -0.55 8.42 8.54 1zo8H1 LYS 193 HA 0.09 0.23 0.96 -0.75 4.32 4.85 1zo8H1 LYS 193 HB2 0.05 0.00 0.12 -0.04 1.87 2.00 1zo8H1 LYS 193 HB3 0.01 -0.00 0.06 -0.04 1.79 1.82 1zo8H1 LYS 193 HG2 -0.06 0.06 0.01 -0.04 1.46 1.43 1zo8H1 LYS 193 HG3 -0.11 -0.04 -0.22 -0.04 1.46 1.06 1zo8H1 LYS 193 HD2 -0.64 -0.09 -0.01 -0.04 1.69 0.91 1zo8H1 LYS 193 HD3 -0.12 0.02 0.00 -0.04 1.68 1.54 1zo8H1 LYS 193 HE2 -0.71 -0.02 -0.03 -0.04 2.99 2.18 1zo8H1 LYS 193 HE3 -0.36 -0.04 -0.01 -0.04 2.99 2.54 1zo8H1 THR 194 H 0.00 0.07 -0.05 -0.55 8.28 7.75 1zo8H1 THR 194 HA 0.01 0.26 0.94 -0.75 4.39 4.85 1zo8H1 THR 194 HB -0.02 0.00 0.03 -0.04 4.32 4.29 1zo8H1 THR 194 HG23 0.02 0.01 -0.13 -0.04 1.22 1.07 1zo8H1 ASN 195 H -0.09 0.58 0.18 -0.55 8.53 8.65 1zo8H1 ASN 195 HA -0.03 0.23 0.82 -0.75 4.76 5.03 1zo8H1 ASN 195 HB2 -0.22 -0.02 0.17 -0.04 2.88 2.77 1zo8H1 ASN 195 HB3 -0.18 -0.03 0.19 -0.04 2.79 2.73 1zo8H1 ASN 195 HD21 0.07 0.06 0.02 -0.04 7.03 7.14 1zo8H1 ASN 195 HD22 0.51 -0.02 0.01 -0.04 7.74 8.19 1zo8H1 PRO 196 HA 0.04 0.11 0.34 -0.51 4.44 4.42 1zo8H1 PRO 196 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 1zo8H1 PRO 196 HB3 0.02 0.07 0.07 -0.04 2.02 2.14 1zo8H1 PRO 196 HG2 0.00 0.04 0.11 -0.04 2.03 2.14 1zo8H1 PRO 196 HG3 0.01 0.11 0.10 -0.04 2.03 2.20 1zo8H1 PRO 196 HD2 -0.00 0.03 0.25 -0.04 3.68 3.92 1zo8H1 PRO 196 HD3 -0.00 0.42 0.41 -0.04 3.65 4.44 1zo8H1 GLU 197 H 0.03 0.11 -0.19 -0.55 8.60 8.01 1zo8H1 GLU 197 HA 0.00 0.11 0.42 -0.75 4.29 4.06 1zo8H1 GLU 197 HB2 0.01 -0.05 0.07 -0.04 2.09 2.07 1zo8H1 GLU 197 HB3 -0.15 0.05 -0.05 -0.04 1.99 1.80 1zo8H1 GLU 197 HG2 -0.05 0.03 0.01 -0.04 2.34 2.29 1zo8H1 GLU 197 HG3 -0.03 0.04 0.03 -0.04 2.34 2.34 1zo8H1 HIS 198 H 0.20 0.13 -0.18 -0.55 8.41 8.02 1zo8H1 HIS 198 HA -0.01 0.03 0.45 -0.75 4.63 4.35 1zo8H1 HIS 198 HB2 -0.24 0.23 0.02 -0.04 3.26 3.23 1zo8H1 HIS 198 HB3 -0.48 -0.01 -0.05 -0.04 3.20 2.62 1zo8H1 HIS 198 HD2 -2.76 0.03 -0.04 -0.04 6.97 4.15 1zo8H1 HIS 198 HE1 -0.27 0.01 -0.01 -0.04 7.75 7.43 1zo8H1 VAL 199 H 0.13 0.51 -0.18 -0.55 8.24 8.15 1zo8H1 VAL 199 HA 0.20 0.11 0.41 -0.75 4.13 4.10 1zo8H1 VAL 199 HB 0.07 0.02 0.03 -0.04 2.12 2.20 1zo8H1 VAL 199 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.87 1zo8H1 VAL 199 HG23 0.08 0.08 -0.28 -0.04 0.95 0.79 1zo8H1 ALA 200 H 0.09 0.54 -0.17 -0.55 8.40 8.31 1zo8H1 ALA 200 HA 0.05 0.05 0.39 -0.75 4.34 4.09 1zo8H1 ALA 200 HB3 0.05 0.02 0.09 -0.04 1.41 1.53 1zo8H1 HIS 201 H 0.21 0.38 -0.25 -0.55 8.41 8.20 1zo8H1 HIS 201 HA 0.07 0.02 0.41 -0.75 4.63 4.38 1zo8H1 HIS 201 HB2 0.06 0.01 0.12 -0.04 3.26 3.42 1zo8H1 HIS 201 HB3 0.26 0.15 0.22 -0.04 3.20 3.79 1zo8H1 HIS 201 HD2 0.76 0.01 -0.07 -0.04 6.97 7.62 1zo8H1 HIS 201 HE1 0.25 0.00 -0.02 -0.04 7.75 7.93 1zo8H1 VAL 202 H 0.29 0.56 -0.08 -0.55 8.24 8.46 1zo8H1 VAL 202 HA -0.35 -0.05 0.30 -0.75 4.13 3.28 1zo8H1 VAL 202 HB 0.13 0.18 0.05 -0.04 2.12 2.45 1zo8H1 VAL 202 HG13 -0.08 -0.03 -0.32 -0.04 0.97 0.49 1zo8H1 VAL 202 HG23 0.43 0.03 0.04 -0.04 0.95 1.40 1zo8H1 LYS 203 H 0.03 0.37 -0.47 -0.55 8.42 7.79 1zo8H1 LYS 203 HA -0.02 -0.03 0.31 -0.75 4.32 3.83 1zo8H1 LYS 203 HB2 0.03 0.12 0.14 -0.04 1.87 2.12 1zo8H1 LYS 203 HB3 0.01 0.06 0.06 -0.04 1.79 1.88 1zo8H1 LYS 203 HG2 0.01 -0.08 0.00 -0.04 1.46 1.35 1zo8H1 LYS 203 HG3 -0.00 0.01 0.07 -0.04 1.46 1.50 1zo8H1 LYS 203 HD2 0.01 0.00 0.07 -0.04 1.69 1.73 1zo8H1 LYS 203 HD3 0.01 0.09 0.02 -0.04 1.68 1.76 1zo8H1 LYS 203 HE2 0.03 0.03 -0.08 -0.04 2.99 2.92 1zo8H1 LYS 203 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 1zo8H1 LYS 204 H -0.05 0.41 -0.19 -0.55 8.42 8.04 1zo8H1 LYS 204 HA -0.02 0.09 0.59 -0.75 4.32 4.22 1zo8H1 LYS 204 HB2 0.00 -0.03 0.10 -0.04 1.87 1.90 1zo8H1 LYS 204 HB3 -0.03 0.05 0.17 -0.04 1.79 1.94 1zo8H1 LYS 204 HG2 0.00 0.02 -0.21 -0.04 1.46 1.23 1zo8H1 LYS 204 HG3 0.01 -0.02 0.03 -0.04 1.46 1.43 1zo8H1 LYS 204 HD2 0.04 -0.04 -0.02 -0.04 1.69 1.64 1zo8H1 LYS 204 HD3 0.06 -0.03 -0.03 -0.04 1.68 1.64 1zo8H1 LYS 204 HE2 0.04 0.02 -0.06 -0.04 2.99 2.95 1zo8H1 LYS 204 HE3 0.03 0.00 -0.02 -0.04 2.99 2.96 1zo8H1 VAL 205 H -0.22 0.48 -0.00 -0.55 8.24 7.94 1zo8H1 VAL 205 HA -0.03 0.12 0.64 -0.75 4.13 4.11 1zo8H1 VAL 205 HB -0.47 0.02 0.02 -0.04 2.12 1.64 1zo8H1 VAL 205 HG13 0.38 -0.03 0.04 -0.04 0.97 1.31 1zo8H1 VAL 205 HG23 -0.13 0.01 -0.00 -0.04 0.95 0.79 1zo8H1 THR 206 H -0.13 0.44 -0.17 -0.55 8.28 7.87 1zo8H1 THR 206 HA 0.02 0.13 0.85 -0.75 4.39 4.64 1zo8H1 THR 206 HB -0.03 -0.00 0.13 -0.04 4.32 4.38 1zo8H1 THR 206 HG23 -0.26 0.02 -0.08 -0.04 1.22 0.86 1zo8H1 ALA 207 H 0.01 0.26 0.17 -0.55 8.40 8.30 1zo8H1 ALA 207 HA -0.01 0.14 0.47 -0.75 4.34 4.19 1zo8H1 ALA 207 HB3 0.00 0.01 0.10 -0.04 1.41 1.48 1zo8H1 LEU 208 H -0.00 0.36 0.06 -0.55 8.37 8.24 1zo8H1 LEU 208 HA -0.00 0.13 0.55 -0.75 4.35 4.28 1zo8H1 LEU 208 HB2 0.00 -0.01 0.03 -0.04 1.64 1.62 1zo8H1 LEU 208 HB3 0.00 -0.00 0.04 -0.04 1.64 1.64 1zo8H1 LEU 208 HG 0.01 -0.01 -0.08 -0.04 1.64 1.52 1zo8H1 LEU 208 HD13 0.01 -0.03 -0.02 -0.04 0.93 0.85 1zo8H1 LEU 208 HD23 0.00 0.02 -0.04 -0.04 0.89 0.83 1zo8H1 GLN 209 H -0.03 0.14 -0.69 -0.55 8.47 7.34 1zo8H1 GLN 209 HA -0.04 0.17 0.27 -0.75 4.36 4.01 1zo8H1 GLN 209 HB2 -0.01 0.05 -0.02 -0.04 2.15 2.13 1zo8H1 GLN 209 HB3 -0.01 -0.11 0.20 -0.04 2.02 2.06 1zo8H1 GLN 209 HG2 -0.02 0.43 0.12 -0.04 2.40 2.88 1zo8H1 GLN 209 HG3 -0.01 0.08 -0.30 -0.04 2.39 2.11 1zo8H1 GLN 209 HE21 -0.00 -0.14 0.01 -0.04 6.97 6.80 1zo8H1 GLN 209 HE22 -0.01 0.20 0.05 -0.04 7.69 7.88 1zo8H1 ARG 210 H -0.04 0.23 -0.10 -0.55 8.46 7.99 1zo8H1 ARG 210 HA 0.01 0.05 0.40 -0.75 4.34 4.05 1zo8H1 ARG 210 HB2 0.01 -0.10 0.11 -0.04 1.90 1.88 1zo8H1 ARG 210 HB3 0.00 0.21 -0.16 -0.04 1.80 1.81 1zo8H1 ARG 210 HG2 -0.00 0.01 -0.39 -0.04 1.67 1.25 1zo8H1 ARG 210 HG3 0.00 0.05 -0.44 -0.04 1.67 1.25 1zo8H1 ARG 210 HD2 0.01 -0.02 -0.05 -0.04 3.22 3.12 1zo8H1 ARG 210 HD3 0.01 0.04 -0.07 -0.04 3.22 3.15 1zo8H1 LEU 211 H 0.01 0.09 0.13 -0.55 8.37 8.05 1zo8H1 LEU 211 HA -0.01 0.17 0.68 -0.75 4.35 4.44 1zo8H1 LEU 211 HB2 0.01 -0.07 0.07 -0.04 1.64 1.61 1zo8H1 LEU 211 HB3 0.05 -0.01 0.12 -0.04 1.64 1.76 1zo8H1 LEU 211 HG 0.09 0.02 -0.00 -0.04 1.64 1.71 1zo8H1 LEU 211 HD13 0.12 -0.02 -0.12 -0.04 0.93 0.86 1zo8H1 LEU 211 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.71 1zo8H1 GLY 212 H 0.02 0.71 0.42 -0.55 8.43 9.03 1zo8H1 GLY 212 HA2 0.03 0.12 0.62 -0.51 4.01 4.28 1zo8H1 GLY 212 HA3 0.04 0.03 0.30 -0.51 4.01 3.87 1zo8H1 THR 213 H 0.04 0.12 0.18 -0.55 8.28 8.07 1zo8H1 THR 213 HA 0.12 0.30 0.98 -0.75 4.39 5.03 1zo8H1 THR 213 HB 0.07 -0.05 0.14 -0.04 4.32 4.44 1zo8H1 THR 213 HG23 0.06 0.07 -0.05 -0.04 1.22 1.26 1zo8H1 GLN 214 H 0.06 0.26 0.17 -0.55 8.47 8.41 1zo8H1 GLN 214 HA 0.01 0.10 0.43 -0.75 4.36 4.14 1zo8H1 GLN 214 HB2 0.01 0.01 0.08 -0.04 2.15 2.21 1zo8H1 GLN 214 HB3 -0.00 -0.04 -0.00 -0.04 2.02 1.94 1zo8H1 GLN 214 HG2 -0.00 0.17 0.08 -0.04 2.40 2.61 1zo8H1 GLN 214 HG3 -0.02 0.01 -0.02 -0.04 2.39 2.32 1zo8H1 GLN 214 HE21 0.05 0.32 0.05 -0.04 6.97 7.35 1zo8H1 GLN 214 HE22 0.05 0.37 0.02 -0.04 7.69 8.09 1zo8H1 LYS 215 H 0.03 0.07 -0.19 -0.55 8.42 7.77 1zo8H1 LYS 215 HA -0.00 0.16 0.39 -0.75 4.32 4.11 1zo8H1 GLU 216 H 0.01 0.05 -0.27 -0.55 8.60 7.84 1zo8H1 GLU 216 HA -0.03 0.11 0.38 -0.75 4.29 4.00 1zo8H1 GLU 216 HB2 0.00 0.06 0.14 -0.04 2.09 2.25 1zo8H1 GLU 216 HB3 -0.02 0.04 -0.01 -0.04 1.99 1.96 1zo8H1 GLU 216 HG2 -0.01 0.08 0.01 -0.04 2.34 2.38 1zo8H1 GLU 216 HG3 0.00 -0.09 0.04 -0.04 2.34 2.26 1zo8H1 LEU 217 H -0.02 0.35 -0.18 -0.55 8.37 7.97 1zo8H1 LEU 217 HA -0.07 0.05 0.39 -0.75 4.35 3.97 1zo8H1 LEU 217 HB2 -0.04 0.01 0.05 -0.04 1.64 1.61 1zo8H1 LEU 217 HB3 -0.04 0.04 0.10 -0.04 1.64 1.69 1zo8H1 LEU 217 HG -0.13 -0.03 -0.02 -0.04 1.64 1.41 1zo8H1 LEU 217 HD13 -0.09 -0.01 -0.22 -0.04 0.93 0.57 1zo8H1 LEU 217 HD23 -0.10 -0.01 -0.00 -0.04 0.89 0.74 1zo8H1 GLY 218 H -0.03 0.60 -0.21 -0.55 8.43 8.24 1zo8H1 GLY 218 HA2 -0.04 -0.01 0.14 -0.51 4.01 3.58 1zo8H1 GLY 218 HA3 -0.03 0.17 0.19 -0.51 4.01 3.83 1zo8H1 GLU 219 H -0.04 0.53 -0.22 -0.55 8.60 8.32 1zo8H1 GLU 219 HA -0.02 0.06 0.38 -0.75 4.29 3.95 1zo8H1 GLU 219 HB2 -0.06 0.06 0.12 -0.04 2.09 2.18 1zo8H1 GLU 219 HB3 -0.06 -0.02 -0.03 -0.04 1.99 1.84 1zo8H1 GLU 219 HG2 -0.02 0.24 0.05 -0.04 2.34 2.57 1zo8H1 GLU 219 HG3 -0.03 -0.08 -0.05 -0.04 2.34 2.14 1zo8H1 LEU 220 H -0.09 0.43 -0.25 -0.55 8.37 7.92 1zo8H1 LEU 220 HA -0.12 0.04 0.41 -0.75 4.35 3.93 1zo8H1 LEU 220 HB2 -0.18 0.00 0.07 -0.04 1.64 1.50 1zo8H1 LEU 220 HB3 -0.17 0.09 0.12 -0.04 1.64 1.64 1zo8H1 LEU 220 HG -0.46 0.01 -0.27 -0.04 1.64 0.88 1zo8H1 LEU 220 HD13 -0.57 -0.01 -0.02 -0.04 0.93 0.29 1zo8H1 LEU 220 HD23 -0.40 -0.02 -0.08 -0.04 0.89 0.35 1zo8H1 VAL 221 H -0.10 0.55 -0.12 -0.55 8.24 8.02 1zo8H1 VAL 221 HA -0.15 -0.01 0.31 -0.75 4.13 3.53 1zo8H1 VAL 221 HB -0.07 0.09 0.09 -0.04 2.12 2.20 1zo8H1 VAL 221 HG13 -0.07 -0.01 -0.22 -0.04 0.97 0.64 1zo8H1 VAL 221 HG23 -0.09 0.00 -0.04 -0.04 0.95 0.78 1zo8H1 ALA 222 H -0.04 0.65 -0.19 -0.55 8.40 8.27 1zo8H1 ALA 222 HA -0.04 0.04 0.31 -0.75 4.34 3.90 1zo8H1 ALA 222 HB3 0.02 0.01 -0.04 -0.04 1.41 1.36 1zo8H1 PHE 223 H 0.07 0.55 -0.25 -0.55 8.34 8.16 1zo8H1 PHE 223 HA -0.08 0.02 0.37 -0.75 4.62 4.17 1zo8H1 PHE 223 HB2 -0.10 0.04 0.10 -0.04 3.15 3.15 1zo8H1 PHE 223 HB3 -0.18 0.09 0.18 -0.04 3.06 3.11 1zo8H1 PHE 223 HD2 -0.14 0.02 -0.06 -0.04 7.28 7.06 1zo8H1 PHE 223 HE2 -0.03 0.01 -0.08 -0.04 7.38 7.24 1zo8H1 PHE 223 HZ 0.00 0.01 -0.12 -0.04 7.32 7.18 1zo8H1 LEU 224 H -0.16 0.61 -0.15 -0.55 8.37 8.13 1zo8H1 LEU 224 HA -0.50 -0.03 0.35 -0.75 4.35 3.42 1zo8H1 LEU 224 HB2 -0.34 0.08 0.02 -0.04 1.64 1.36 1zo8H1 LEU 224 HB3 -0.81 -0.04 -0.08 -0.04 1.64 0.67 1zo8H1 LEU 224 HG -0.37 0.27 0.03 -0.04 1.64 1.53 1zo8H1 LEU 224 HD13 -0.84 -0.04 -0.15 -0.04 0.93 -0.14 1zo8H1 LEU 224 HD23 -0.71 -0.02 -0.09 -0.04 0.89 0.03 1zo8H1 ALA 225 H -0.21 0.56 -0.22 -0.55 8.40 7.98 1zo8H1 ALA 225 HA -0.55 0.04 0.41 -0.75 4.34 3.49 1zo8H1 ALA 225 HB3 -0.21 -0.01 -0.01 -0.04 1.41 1.14 1zo8H1 SER 226 H -0.25 0.28 -0.54 -0.55 8.46 7.40 1zo8H1 SER 226 HA -0.06 0.11 0.39 -0.75 4.49 4.18 1zo8H1 SER 226 HB2 -0.05 -0.04 0.07 -0.04 3.95 3.88 1zo8H1 SER 226 HB3 -0.07 0.20 0.11 -0.04 3.93 4.13 1zo8H1 GLY 227 H -0.30 0.27 -0.38 -0.55 8.43 7.48 1zo8H1 GLY 227 HA2 0.18 -0.00 0.26 -0.51 4.01 3.93 1zo8H1 GLY 227 HA3 0.05 0.19 0.55 -0.51 4.01 4.29 1zo8H1 SER 228 H -0.26 0.19 -0.16 -0.55 8.46 7.68 1zo8H1 SER 228 HA -0.06 0.16 0.54 -0.75 4.49 4.37 1zo8H1 SER 228 HB2 -0.56 0.09 0.04 -0.04 3.95 3.47 1zo8H1 SER 228 HB3 -0.09 -0.05 -0.01 -0.04 3.93 3.75 1zo8H1 CYS 229 H -0.24 0.13 -0.21 -0.55 8.50 7.64 1zo8H1 CYS 229 HA 0.04 0.16 0.65 -0.75 4.58 4.68 1zo8H1 CYS 229 HB2 -0.03 0.06 -0.31 -0.04 2.97 2.65 1zo8H1 CYS 229 HB3 -0.10 0.00 0.06 -0.04 2.97 2.89 1zo8H1 ASP 230 H 0.10 0.32 -0.12 -0.55 8.40 8.15 1zo8H1 ASP 230 HA 0.30 0.11 0.40 -0.75 4.63 4.68 1zo8H1 ASP 230 HB2 0.12 0.02 0.03 -0.04 2.71 2.83 1zo8H1 ASP 230 HB3 0.06 0.04 0.05 -0.04 2.70 2.82 1zo8H1 TYR 231 H 0.25 0.07 -0.38 -0.55 8.29 7.68 1zo8H1 TYR 231 HA 0.03 0.12 0.36 -0.75 4.56 4.31 1zo8H1 TYR 231 HB2 0.04 -0.02 0.05 -0.04 3.06 3.09 1zo8H1 TYR 231 HB3 0.05 0.02 -0.05 -0.04 2.98 2.96 1zo8H1 TYR 231 HD2 0.01 -0.01 -0.01 -0.04 7.15 7.11 1zo8H1 TYR 231 HE2 -0.00 -0.00 0.00 -0.04 6.85 6.81 1zo8H1 LEU 232 H 0.26 0.33 -0.69 -0.55 8.37 7.72 1zo8H1 LEU 232 HA 0.10 0.13 0.65 -0.75 4.35 4.47 1zo8H1 LEU 232 HB2 0.44 0.17 0.04 -0.04 1.64 2.24 1zo8H1 LEU 232 HB3 0.37 -0.09 0.09 -0.04 1.64 1.97 1zo8H1 LEU 232 HG 0.23 -0.03 -0.07 -0.04 1.64 1.72 1zo8H1 LEU 232 HD13 0.39 -0.01 -0.03 -0.04 0.93 1.23 1zo8H1 LEU 232 HD23 0.10 -0.00 -0.01 -0.04 0.89 0.94 1zo8H1 THR 233 H -0.02 0.43 -0.20 -0.55 8.28 7.94 1zo8H1 THR 233 HA -0.67 -0.02 0.35 -0.75 4.39 3.30 1zo8H1 THR 233 HB -0.26 0.14 0.23 -0.04 4.32 4.39 1zo8H1 THR 233 HG23 -0.20 0.01 -0.05 -0.04 1.22 0.93 1zo8H1 GLY 234 H -0.39 0.69 0.42 -0.55 8.43 8.61 1zo8H1 GLY 234 HA2 -0.18 -0.01 0.41 -0.51 4.01 3.72 1zo8H1 GLY 234 HA3 -0.15 0.11 0.69 -0.51 4.01 4.15 1zo8H1 GLN 235 H -0.04 0.41 -0.11 -0.55 8.47 8.18 1zo8H1 GLN 235 HA -0.23 0.02 0.45 -0.75 4.36 3.85 1zo8H1 GLN 235 HB2 -0.19 0.18 0.11 -0.04 2.15 2.21 1zo8H1 GLN 235 HB3 -0.23 -0.07 0.08 -0.04 2.02 1.76 1zo8H1 GLN 235 HG2 -1.66 -0.06 -0.12 -0.04 2.40 0.51 1zo8H1 GLN 235 HG3 -1.18 -0.03 -0.51 -0.04 2.39 0.63 1zo8H1 GLN 235 HE21 -0.20 -0.04 0.04 -0.04 6.97 6.73 1zo8H1 GLN 235 HE22 -0.46 0.30 0.03 -0.04 7.69 7.52 1zo8H1 VAL 236 H -0.37 0.20 0.22 -0.55 8.24 7.74 1zo8H1 VAL 236 HA -0.27 0.18 0.97 -0.75 4.13 4.25 1zo8H1 VAL 236 HB -0.52 -0.02 0.18 -0.04 2.12 1.73 1zo8H1 VAL 236 HG13 -1.06 -0.03 -0.15 -0.04 0.97 -0.32 1zo8H1 VAL 236 HG23 -0.16 0.02 -0.01 -0.04 0.95 0.77 1zo8H1 PHE 237 H -0.03 0.77 0.35 -0.55 8.34 8.89 1zo8H1 PHE 237 HA -0.28 0.15 0.78 -0.75 4.62 4.52 1zo8H1 PHE 237 HB2 -0.12 -0.08 0.21 -0.04 3.15 3.11 1zo8H1 PHE 237 HB3 -0.09 -0.02 -0.07 -0.04 3.06 2.83 1zo8H1 PHE 237 HD2 -0.07 0.08 -0.05 -0.04 7.28 7.20 1zo8H1 PHE 237 HE2 -0.04 0.01 -0.07 -0.04 7.38 7.25 1zo8H1 PHE 237 HZ -0.10 0.04 -0.07 -0.04 7.32 7.15 1zo8H1 TRP 238 H -0.06 0.24 0.12 -0.55 7.97 7.72 1zo8H1 TRP 238 HA 0.03 0.21 0.77 -0.75 4.62 4.88 1zo8H1 TRP 238 HB2 -0.17 -0.02 0.23 -0.04 3.23 3.24 1zo8H1 TRP 238 HB3 -0.17 0.04 0.07 -0.04 3.23 3.13 1zo8H1 TRP 238 HD1 -0.24 0.00 0.06 -0.04 7.22 7.01 1zo8H1 TRP 238 HE1 0.10 0.02 0.01 -0.04 10.20 10.29 1zo8H1 TRP 238 HE3 0.05 0.06 0.01 -0.04 7.59 7.67 1zo8H1 TRP 238 HZ2 0.18 0.02 -0.04 -0.04 7.44 7.57 1zo8H1 TRP 238 HZ3 0.11 0.23 0.13 -0.04 7.13 7.56 1zo8H1 TRP 238 HH2 0.12 -0.02 -0.05 -0.04 7.19 7.20 1zo8H1 LEU 239 H 0.21 0.50 -0.08 -0.55 8.37 8.44 1zo8H1 LEU 239 HA 0.10 0.09 0.56 -0.75 4.35 4.35 1zo8H1 LEU 239 HB2 0.07 0.04 -0.14 -0.04 1.64 1.57 1zo8H1 LEU 239 HB3 0.07 -0.10 0.15 -0.04 1.64 1.71 1zo8H1 LEU 239 HG -0.02 0.06 -0.11 -0.04 1.64 1.53 1zo8H1 LEU 239 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.77 1zo8H1 LEU 239 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 1zo8H1 ALA 240 H 0.13 0.34 -0.13 -0.55 8.40 8.19 1zo8H1 ALA 240 HA 0.08 0.34 0.98 -0.75 4.34 4.99 1zo8H1 ALA 240 HB3 0.15 0.03 -0.09 -0.04 1.41 1.46 1zo8H1 GLY 241 H 0.07 0.10 0.04 -0.55 8.43 8.10 1zo8H1 GLY 241 HA2 0.04 0.07 0.32 -0.51 4.01 3.93 1zo8H1 GLY 241 HA3 0.03 0.11 0.35 -0.51 4.01 3.99 1zo8H1 GLY 242 H 0.06 0.11 -0.15 -0.55 8.43 7.91 1zo8H1 GLY 242 HA2 0.02 0.07 0.29 -0.51 4.01 3.88 1zo8H1 GLY 242 HA3 0.02 0.04 0.72 -0.51 4.01 4.29 1zo8H1 PHE 243 H 0.20 0.30 -0.37 -0.55 8.34 7.92 1zo8H1 PHE 243 HA -0.00 0.17 0.51 -0.75 4.62 4.55 1zo8H1 PHE 243 HB2 0.01 0.06 0.07 -0.04 3.15 3.25 1zo8H1 PHE 243 HB3 0.06 0.05 0.13 -0.04 3.06 3.27 1zo8H1 PHE 243 HD2 0.09 -0.00 -0.17 -0.04 7.28 7.15 1zo8H1 PHE 243 HE2 0.09 0.01 -0.12 -0.04 7.38 7.32 1zo8H1 PHE 243 HZ -0.43 0.17 -0.03 -0.04 7.32 7.00 1zo8H1 PRO 244 HA -0.48 0.10 0.48 -0.51 4.44 4.03 1zo8H1 PRO 244 HB2 -0.37 0.07 -0.09 -0.04 2.28 1.86 1zo8H1 PRO 244 HB3 -1.37 -0.02 0.04 -0.04 2.02 0.63 1zo8H1 PRO 244 HG2 -0.22 0.01 0.04 -0.04 2.03 1.82 1zo8H1 PRO 244 HG3 -0.37 0.03 0.01 -0.04 2.03 1.66 1zo8H1 PRO 244 HD2 0.07 0.09 0.35 -0.04 3.68 4.15 1zo8H1 PRO 244 HD3 -0.44 0.03 -0.10 -0.04 3.65 3.09 1zo8H1 MET 245 H -0.06 0.26 0.20 -0.55 8.47 8.33 1zo8H1 MET 245 HA -0.04 0.09 0.68 -0.75 4.52 4.50 1zo8H1 MET 245 HB2 -0.02 0.02 0.13 -0.04 2.15 2.25 1zo8H1 MET 245 HB3 -0.02 0.01 -0.06 -0.04 2.03 1.92 1zo8H1 MET 245 HG2 -0.01 -0.05 -0.59 -0.04 2.63 1.94 1zo8H1 MET 245 HG3 -0.02 0.21 -0.49 -0.04 2.56 2.22 1zo8H1 MET 245 HE3 -0.02 0.01 -0.03 -0.04 2.10 2.02 1zo8H1 ILE 246 H -0.04 0.16 0.10 -0.55 8.25 7.92 1zo8H1 ILE 246 HA -0.02 0.09 0.77 -0.75 4.18 4.27 1zo8H1 ILE 246 HB -0.04 -0.02 0.08 -0.04 1.89 1.87 1zo8H1 ILE 246 HG12 -0.05 -0.03 -0.03 -0.04 1.49 1.34 1zo8H1 ILE 246 HG13 -0.06 -0.00 -0.14 -0.04 1.21 0.97 1zo8H1 ILE 246 HG23 -0.01 0.03 -0.12 -0.04 0.93 0.79 1zo8H1 ILE 246 HD13 -0.07 -0.03 -0.12 -0.04 0.88 0.63 1zo8H1 GLU 247 H 0.02 0.09 0.13 -0.55 8.60 8.29 1zo8H1 GLU 247 HA 0.03 0.03 0.37 -0.75 4.29 3.96 1zo8H1 GLU 247 HB2 0.05 -0.01 0.12 -0.04 2.09 2.21 1zo8H1 GLU 247 HB3 0.06 -0.06 0.13 -0.04 1.99 2.07 1zo8H1 GLU 247 HG2 0.07 -0.08 -0.06 -0.04 2.34 2.23 1zo8H1 GLU 247 HG3 0.07 0.27 -0.18 -0.04 2.34 2.47 1zo8H1 ARG 248 H 0.03 0.10 0.17 -0.55 8.46 8.22 1zo8H1 ARG 248 HA -0.00 0.12 0.69 -0.75 4.34 4.39 1zo8H1 ARG 248 HB2 0.02 0.09 0.07 -0.04 1.90 2.03 1zo8H1 ARG 248 HB3 -0.04 -0.11 0.14 -0.04 1.80 1.75 1zo8H1 ARG 248 HG2 -0.08 0.01 -0.02 -0.04 1.67 1.53 1zo8H1 ARG 248 HG3 -0.03 0.08 0.05 -0.04 1.67 1.72 1zo8H1 ARG 248 HD2 -0.12 -0.07 0.02 -0.04 3.22 3.01 1zo8H1 ARG 248 HD3 -0.08 -0.02 0.01 -0.04 3.22 3.09 1zo8H1 TRP 249 H 0.08 0.06 0.13 -0.55 7.97 7.69 1zo8H1 TRP 249 HA 0.00 0.07 0.39 -0.75 4.62 4.33 1zo8H1 TRP 249 HB2 0.00 -0.03 0.09 -0.04 3.23 3.24 1zo8H1 TRP 249 HB3 0.00 0.08 0.06 -0.04 3.23 3.34 1zo8H1 TRP 249 HD1 -0.00 0.03 -0.05 -0.04 7.22 7.17 1zo8H1 TRP 249 HE1 -0.00 0.00 0.01 -0.04 10.20 10.16 1zo8H1 TRP 249 HE3 -0.00 0.03 0.01 -0.04 7.59 7.59 1zo8H1 TRP 249 HZ2 -0.00 -0.01 0.01 -0.04 7.44 7.40 1zo8H1 TRP 249 HZ3 -0.00 -0.01 0.01 -0.04 7.13 7.08 1zo8H1 TRP 249 HH2 -0.00 -0.02 0.01 -0.04 7.19 7.14 1zo8H1 PRO 250 HA 0.07 0.04 0.45 -0.51 4.44 4.49 1zo8H1 PRO 250 HB2 0.01 0.00 0.07 -0.04 2.28 2.33 1zo8H1 PRO 250 HB3 0.02 0.01 0.10 -0.04 2.02 2.10 1zo8H1 PRO 250 HG2 -0.04 0.01 0.09 -0.04 2.03 2.05 1zo8H1 PRO 250 HG3 0.02 0.07 0.10 -0.04 2.03 2.18 1zo8H1 PRO 250 HD2 -0.05 0.07 0.20 -0.04 3.68 3.87 1zo8H1 PRO 250 HD3 0.07 0.14 0.22 -0.04 3.65 4.03 1zo8H1 GLY 251 H 0.05 0.14 0.14 -0.55 8.43 8.21 1zo8H1 GLY 251 HA2 0.04 -0.04 0.34 -0.51 4.01 3.84 1zo8H1 GLY 251 HA3 0.06 0.13 0.63 -0.51 4.01 4.31 1zo8H1 MET 252 H 0.09 0.45 -0.37 -0.55 8.47 8.09 1zo8H1 MET 252 HA 0.04 0.08 0.58 -0.75 4.52 4.47 1zo8H1 MET 252 HB2 0.06 0.07 0.02 -0.04 2.15 2.26 1zo8H1 MET 252 HB3 0.02 0.03 -0.02 -0.04 2.03 2.02 1zo8H1 MET 252 HG2 0.07 -0.03 -0.08 -0.04 2.63 2.56 1zo8H1 MET 252 HG3 0.16 0.09 -0.13 -0.04 2.56 2.63 1zo8H1 MET 252 HE3 -0.05 0.00 -0.00 -0.04 2.10 2.01 1zo8H1 PRO 253 HA 0.02 0.08 0.17 -0.51 4.44 4.20 1zo8H1 PRO 253 HB2 0.00 0.02 0.07 -0.04 2.28 2.34 1zo8H1 PRO 253 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 1zo8H1 PRO 253 HG2 0.01 0.01 0.07 -0.04 2.03 2.08 1zo8H1 PRO 253 HG3 0.01 0.05 0.07 -0.04 2.03 2.12 1zo8H1 PRO 253 HD2 0.01 0.07 0.15 -0.04 3.68 3.87 1zo8H1 PRO 253 HD3 0.02 0.22 0.28 -0.04 3.65 4.13