#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zhb s GLN 2 N 0.00 3.08 -0.08 0.38 -2.07 -1.26 -4.71 119.66 115.00 1zhb s GLN 2 Ca 0.00 -0.43 0.02 0.00 -1.82 0.00 0.00 55.36 53.13 1zhb s GLN 2 Cb 0.00 -2.88 -0.02 0.00 -1.09 0.00 0.00 33.01 29.02 1zhb s GLN 2 CO 0.00 0.68 -0.13 0.15 -1.32 0.00 0.00 175.29 174.67 1zhb s LYS 3 N -1.45 2.80 -0.13 9.60 1.02 0.59 -4.93 119.74 127.25 1zhb s LYS 3 Ca 0.20 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1zhb s LYS 3 Cb -0.12 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 1zhb s LYS 3 CO 0.10 0.51 0.31 -0.08 -0.92 0.00 0.00 175.35 175.26 1zhb s THR 4 N -0.42 5.27 0.44 2.17 -1.32 -1.25 -1.45 115.64 119.08 1zhb s THR 4 Ca 0.05 0.59 -0.26 0.00 -1.21 0.00 0.00 61.69 60.86 1zhb s THR 4 Cb -0.12 -3.63 -0.09 0.00 -1.51 0.00 0.00 72.50 67.15 1zhb s THR 4 CO 0.02 0.44 1.44 -2.16 -2.21 0.00 0.00 174.62 172.16 1zhb s PRO 5 N 0.06 3.77 -0.20 7.08 0.04 -1.26 -4.56 135.00 139.93 1zhb s PRO 5 Ca 0.18 2.46 -0.06 0.00 0.04 0.00 0.00 61.00 63.62 1zhb s PRO 5 Cb -0.14 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1zhb s PRO 5 CO 0.06 -0.77 0.03 -0.65 0.04 0.00 0.00 177.00 175.71 1zhb s GLN 6 N -2.38 3.77 -0.05 4.56 -1.52 0.24 -4.93 119.66 119.34 1zhb s GLN 6 Ca 0.59 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.60 1zhb s GLN 6 Cb -0.44 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.17 1zhb s GLN 6 CO 0.58 0.10 -0.19 0.42 -0.25 0.00 0.00 175.29 175.95 1zhb s ILE 7 N 0.81 2.65 -0.02 1.08 1.01 -1.26 -0.60 121.20 124.87 1zhb s ILE 7 Ca 0.02 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1zhb s ILE 7 Cb -0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 1zhb s ILE 7 CO 0.02 0.58 -0.11 -1.10 0.00 0.00 0.00 174.94 174.33 1zhb s GLN 8 N -0.48 1.08 -0.13 2.79 -0.21 -0.29 -4.97 119.66 117.45 1zhb s GLN 8 Ca 0.06 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 55.07 1zhb s GLN 8 Cb -0.12 -1.00 0.02 0.00 1.00 0.00 0.00 33.01 32.91 1zhb s GLN 8 CO 0.01 0.17 -0.17 0.08 -2.12 0.00 0.00 175.29 173.26 1zhb s VAL 9 N 0.04 1.71 0.02 1.09 1.01 -1.26 -0.58 120.40 122.43 1zhb s VAL 9 Ca -0.01 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1zhb s VAL 9 Cb -0.08 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.83 1zhb s VAL 9 CO 0.00 0.48 0.73 -0.72 0.00 0.00 0.00 175.10 175.60 1zhb s TYR 10 N 1.07 -0.52 0.32 5.22 1.13 -0.78 -4.46 117.35 119.33 1zhb s TYR 10 Ca -0.03 0.60 -0.15 0.00 -1.41 0.00 0.00 57.07 56.08 1zhb s TYR 10 Cb -0.14 0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 41.12 1zhb s TYR 10 CO -0.04 -0.65 0.73 -1.54 -2.51 0.00 0.00 175.55 171.54 1zhb s SER 11 N -1.99 6.77 0.05 -0.18 1.04 -1.26 -0.02 113.70 118.11 1zhb s SER 11 Ca -0.02 1.28 -0.24 0.00 0.48 0.00 0.00 55.95 57.44 1zhb s SER 11 Cb -0.01 -2.37 -0.17 0.00 0.10 0.00 0.00 66.02 63.57 1zhb s SER 11 CO -0.03 -0.20 1.57 -0.09 0.98 0.00 0.00 173.24 175.46 1zhb h ARG 12 N 2.27 -0.01 -6.24 4.02 2.43 -1.31 -3.45 114.38 112.08 1zhb h ARG 12 Ca -0.48 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.13 1zhb h ARG 12 Cb 1.17 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 1zhb h ARG 12 CO 0.65 0.17 -0.59 -1.01 -1.51 0.00 0.00 179.97 177.68 1zhb s HIS 13 N -5.48 3.00 0.04 2.20 3.76 -1.26 -5.04 115.29 112.50 1zhb s HIS 13 Ca -0.14 -0.09 -0.35 0.00 -0.15 0.00 0.00 55.06 54.32 1zhb s HIS 13 Cb 0.04 -1.42 -0.14 0.00 1.11 0.00 0.00 32.58 32.17 1zhb s HIS 13 CO 0.66 0.53 1.60 -2.30 -0.85 0.00 0.00 174.74 174.38 1zhb n PRO 14 N -0.50 1.79 -2.18 8.40 -0.02 -1.26 -4.86 135.00 136.37 1zhb n PRO 14 Ca -0.08 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 1zhb n PRO 14 Cb 0.56 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1zhb n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1zhb s PRO 15 N 1.72 3.93 -0.19 0.52 0.04 -1.26 -5.01 135.00 134.76 1zhb s PRO 15 Ca 0.85 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.80 1zhb s PRO 15 Cb -0.80 -2.64 0.09 0.00 0.04 0.00 0.00 34.50 31.19 1zhb s PRO 15 CO 0.46 -0.46 0.35 -2.00 0.04 0.00 0.00 177.00 175.39 1zhb s GLU 16 N -2.36 0.26 0.13 4.56 2.12 -1.26 -5.12 118.70 117.03 1zhb s GLU 16 Ca 0.59 0.78 -0.34 0.00 0.36 0.00 0.00 54.97 56.36 1zhb s GLU 16 Cb -0.33 -0.06 -0.14 0.00 0.26 0.00 0.00 34.13 33.86 1zhb s GLU 16 CO 0.42 -0.37 1.58 0.09 -0.54 0.00 0.00 175.26 176.44 1zhb n ASN 17 N 5.37 2.99 0.00 -1.70 3.02 -1.26 -1.82 115.26 121.87 1zhb n ASN 17 Ca -0.06 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1zhb n ASN 17 Cb 0.50 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1zhb n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhb n GLY 18 N 3.42 0.74 3.26 7.41 0.00 0.11 -4.98 105.19 115.16 1zhb n GLY 18 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1zhb n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhb s LYS 19 N -0.19 3.28 0.21 1.61 2.20 -0.75 -5.00 119.74 121.10 1zhb s LYS 19 Ca 0.00 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 1zhb s LYS 19 Cb 0.00 -2.90 -0.16 0.00 -1.51 0.00 0.00 37.83 33.26 1zhb s LYS 19 CO 0.00 -0.20 0.93 -2.30 -0.36 0.00 0.00 175.35 173.42 1zhb n PRO 20 N 4.75 0.84 -3.45 4.03 -0.02 -1.26 -4.40 135.00 135.48 1zhb n PRO 20 Ca -0.19 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1zhb n PRO 20 Cb 0.51 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1zhb n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zhb n ASN 21 N 1.69 -1.12 -4.10 2.55 2.85 0.41 -5.00 115.26 112.54 1zhb n ASN 21 Ca 0.14 -2.48 -0.29 0.00 -0.11 0.00 0.00 54.58 51.84 1zhb n ASN 21 Cb 0.26 2.07 -0.17 0.00 1.24 0.00 0.00 39.78 43.19 1zhb n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1zhb s ILE 22 N -2.71 1.61 -0.06 -1.44 1.01 -1.26 -1.62 121.20 116.73 1zhb s ILE 22 Ca 0.22 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1zhb s ILE 22 Cb -0.01 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1zhb s ILE 22 CO 0.16 0.46 0.56 -0.22 0.00 0.00 0.00 174.94 175.90 1zhb s LEU 23 N 0.69 4.35 -0.07 2.97 2.96 -0.07 -0.74 118.68 128.76 1zhb s LEU 23 Ca -0.13 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 1zhb s LEU 23 Cb -0.16 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 1zhb s LEU 23 CO 0.03 0.04 -0.09 0.20 -1.32 0.00 0.00 176.35 175.21 1zhb s ASN 24 N 0.26 4.50 -0.28 3.68 0.01 0.97 -1.28 114.94 122.80 1zhb s ASN 24 Ca 0.30 -0.07 0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1zhb s ASN 24 Cb -0.17 -1.12 0.07 0.00 0.41 0.00 0.00 41.25 40.44 1zhb s ASN 24 CO 0.14 0.35 -0.06 0.00 -1.51 0.00 0.00 177.10 176.03 1zhb s TYR 26 N 1.12 3.23 -0.18 0.00 5.04 0.26 -1.03 117.35 125.78 1zhb s TYR 26 Ca -0.03 -0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1zhb s TYR 26 Cb -0.19 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.63 1zhb s TYR 26 CO -0.06 -0.43 -0.15 0.08 -1.34 0.00 0.00 175.55 173.65 1zhb s VAL 27 N 1.70 2.56 0.33 3.14 1.01 -0.20 -1.14 120.40 127.80 1zhb s VAL 27 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1zhb s VAL 27 Cb -0.18 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1zhb s VAL 27 CO 0.10 0.50 0.14 0.42 0.00 0.00 0.00 175.10 176.26 1zhb s THR 28 N 1.21 0.50 -1.33 3.92 -4.23 0.24 -0.52 115.64 115.42 1zhb s THR 28 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1zhb s THR 28 Cb -0.14 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1zhb s THR 28 CO -0.07 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.01 1zhb n GLN 29 N -0.66 -1.08 -4.18 3.99 3.00 -0.75 -0.59 117.38 117.11 1zhb n GLN 29 Ca -0.01 0.81 -0.23 0.00 -0.01 0.00 0.00 57.00 57.56 1zhb n GLN 29 Cb 0.65 -5.03 -0.06 0.00 0.00 0.00 0.00 30.24 25.81 1zhb n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1zhb s PHE 30 N -2.64 2.95 -0.28 1.08 -0.71 -1.12 -3.96 117.98 113.29 1zhb s PHE 30 Ca 0.00 -0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.53 1zhb s PHE 30 Cb 0.00 -1.34 0.12 0.00 -1.21 0.00 0.00 43.02 40.59 1zhb s PHE 30 CO 0.00 0.55 0.94 -1.58 -1.34 0.00 0.00 175.22 173.80 1zhb s HIS 31 N -2.13 -0.60 0.99 3.49 2.46 -0.53 -1.26 115.29 117.71 1zhb s HIS 31 Ca 0.32 1.35 -0.13 0.00 0.47 0.00 0.00 55.06 57.07 1zhb s HIS 31 Cb -0.08 0.38 0.18 0.00 -0.13 0.00 0.00 32.58 32.93 1zhb s HIS 31 CO 0.23 -0.29 1.11 -1.25 -2.47 0.00 0.00 174.74 172.06 1zhb s PRO 32 N 0.67 0.52 0.00 2.88 0.04 -1.26 -0.30 135.00 137.55 1zhb s PRO 32 Ca -0.02 0.41 0.20 0.00 0.04 0.00 0.00 61.00 61.63 1zhb s PRO 32 Cb -0.05 -1.76 0.93 0.00 0.04 0.00 0.00 34.50 33.67 1zhb s PRO 32 CO -0.09 -2.64 1.63 -0.35 0.04 0.00 0.00 177.00 175.58 1zhb n PRO 33 N -4.10 0.16 -2.45 0.56 -0.04 -1.26 -4.74 135.00 123.13 1zhb n PRO 33 Ca 0.06 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1zhb n PRO 33 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1zhb n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1zhb s HIS 34 N -2.75 3.48 -0.06 0.54 2.46 -1.26 -5.01 115.29 112.69 1zhb s HIS 34 Ca 0.15 1.38 -0.30 0.00 0.47 0.00 0.00 55.06 56.77 1zhb s HIS 34 Cb 0.13 -3.38 0.07 0.00 -0.13 0.00 0.00 32.58 29.27 1zhb s HIS 34 CO 0.33 -1.08 0.66 -1.50 -2.47 0.00 0.00 174.74 170.67 1zhb s ILE 35 N 0.79 0.00 -0.15 0.89 2.07 -1.26 -4.69 121.20 118.85 1zhb s ILE 35 Ca 0.56 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 1zhb s ILE 35 Cb -0.29 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1zhb s ILE 35 CO 0.30 -0.02 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.53 1zhb s GLU 36 N -1.14 2.64 -0.18 3.50 2.02 -0.71 -5.00 118.70 119.85 1zhb s GLU 36 Ca -0.11 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1zhb s GLU 36 Cb -0.01 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.95 1zhb s GLU 36 CO 0.09 -0.16 -0.16 0.42 0.02 0.00 0.00 175.26 175.48 1zhb s ILE 37 N 1.22 2.49 0.10 -1.63 1.01 -1.26 -0.68 121.20 122.45 1zhb s ILE 37 Ca 0.01 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1zhb s ILE 37 Cb -0.14 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1zhb s ILE 37 CO -0.08 0.51 -0.20 -1.10 0.00 0.00 0.00 174.94 174.06 1zhb s GLN 38 N 1.13 1.75 -0.08 2.79 -0.21 0.62 -4.99 119.66 120.67 1zhb s GLN 38 Ca 0.01 -1.18 0.04 0.00 0.02 0.00 0.00 55.36 54.25 1zhb s GLN 38 Cb -0.14 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.80 1zhb s GLN 38 CO -0.06 0.49 -0.20 -1.64 -2.12 0.00 0.00 175.29 171.76 1zhb s MET 39 N -1.95 2.48 -0.03 2.91 -1.94 -1.26 0.54 119.30 120.03 1zhb s MET 39 Ca 0.16 -0.72 0.06 0.00 -1.71 0.00 0.00 55.69 53.48 1zhb s MET 39 Cb -0.10 -1.95 -0.02 0.00 2.01 0.00 0.00 34.83 34.76 1zhb s MET 39 CO 0.08 0.17 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.54 1zhb s LEU 40 N 0.34 2.35 -0.26 -0.03 1.43 -0.00 0.19 118.68 122.69 1zhb s LEU 40 Ca -0.14 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1zhb s LEU 40 Cb -0.16 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1zhb s LEU 40 CO 0.06 0.33 -0.03 -0.75 0.23 0.00 0.00 176.35 176.19 1zhb s LYS 41 N -0.64 2.83 -1.54 1.70 2.20 0.55 -2.20 119.74 122.64 1zhb s LYS 41 Ca 0.10 -0.99 -0.14 0.00 -0.36 0.00 0.00 55.97 54.58 1zhb s LYS 41 Cb -0.10 -3.07 0.09 0.00 -1.51 0.00 0.00 37.83 33.23 1zhb s LYS 41 CO -0.00 -0.43 0.96 0.09 -0.36 0.00 0.00 175.35 175.61 1zhb n ASN 42 N 4.69 -4.58 0.00 1.43 3.02 0.15 -1.65 115.26 118.32 1zhb n ASN 42 Ca -0.16 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1zhb n ASN 42 Cb 0.47 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1zhb n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zhb n GLY 43 N -1.67 2.38 3.86 7.41 0.00 -1.26 -5.03 105.19 110.88 1zhb n GLY 43 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1zhb n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zhb s LYS 44 N -0.30 3.80 0.19 1.61 2.20 -0.66 -4.99 119.74 121.59 1zhb s LYS 44 Ca 0.00 0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.53 1zhb s LYS 44 Cb 0.00 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 1zhb s LYS 44 CO 0.00 0.56 1.43 0.21 -0.36 0.00 0.00 175.35 177.19 1zhb s LYS 45 N -1.85 4.29 -0.18 4.03 2.20 -1.26 -0.33 119.74 126.64 1zhb s LYS 45 Ca 0.33 2.21 -0.29 0.00 -0.36 0.00 0.00 55.97 57.86 1zhb s LYS 45 Cb -0.14 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1zhb s LYS 45 CO 0.18 -0.43 1.01 0.42 -0.36 0.00 0.00 175.35 176.17 1zhb s ILE 46 N 0.52 4.73 0.13 5.43 1.01 0.13 -4.83 121.20 128.33 1zhb s ILE 46 Ca 0.62 2.00 -0.14 0.00 0.00 0.00 0.00 60.65 63.14 1zhb s ILE 46 Cb -0.40 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 37.77 1zhb s ILE 46 CO 0.37 -0.10 1.59 1.55 0.00 0.00 0.00 174.94 178.35 1zhb h PRO 47 N 7.32 0.76 -3.75 2.79 0.13 -1.94 -3.38 132.00 133.92 1zhb h PRO 47 Ca -0.24 -0.23 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 1zhb h PRO 47 Cb 1.10 -0.07 -0.37 0.00 0.13 0.00 0.00 31.00 31.78 1zhb h PRO 47 CO 0.92 0.82 -0.50 0.21 -0.23 0.00 0.00 178.00 179.22 1zhb s LYS 48 N -5.04 2.21 -0.15 0.86 2.47 -1.26 -5.05 119.74 113.77 1zhb s LYS 48 Ca -0.13 -2.40 -0.01 0.00 -1.56 0.00 0.00 55.97 51.87 1zhb s LYS 48 Cb 0.11 -3.54 -0.01 0.00 -1.46 0.00 0.00 37.83 32.93 1zhb s LYS 48 CO 0.80 -1.12 -0.12 0.08 0.16 0.00 0.00 175.35 175.15 1zhb s VAL 49 N 0.12 3.01 0.05 4.02 1.01 -1.26 -4.75 120.40 122.60 1zhb s VAL 49 Ca 0.15 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1zhb s VAL 49 Cb -0.22 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1zhb s VAL 49 CO -0.03 0.51 0.69 -1.61 0.00 0.00 0.00 175.10 174.66 1zhb s GLU 50 N 0.65 4.42 -0.03 2.72 0.41 -0.31 -4.96 118.70 121.60 1zhb s GLU 50 Ca -0.07 0.94 0.07 0.00 -0.41 0.00 0.00 54.97 55.50 1zhb s GLU 50 Cb -0.15 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 28.84 1zhb s GLU 50 CO 0.02 0.38 -0.24 1.41 -0.49 0.00 0.00 175.26 176.34 1zhb s MET 51 N -0.33 2.27 0.78 1.61 1.75 -1.26 -1.03 119.30 123.09 1zhb s MET 51 Ca 0.35 -0.89 -0.11 0.00 -1.25 0.00 0.00 55.69 53.78 1zhb s MET 51 Cb -0.20 -2.12 0.06 0.00 2.84 0.00 0.00 34.83 35.41 1zhb s MET 51 CO 0.21 0.53 1.09 -1.54 -0.65 0.00 0.00 175.02 174.66 1zhb s SER 52 N -0.52 4.68 0.38 1.11 1.04 0.12 -5.01 113.70 115.50 1zhb s SER 52 Ca 0.07 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 1zhb s SER 52 Cb -0.11 -2.07 -0.08 0.00 0.10 0.00 0.00 66.02 63.87 1zhb s SER 52 CO 0.00 -1.85 0.78 -1.81 0.98 0.00 0.00 173.24 171.34 1zhb s ASP 53 N -3.95 6.65 -0.43 7.02 1.01 -1.26 -4.79 116.67 120.93 1zhb s ASP 53 Ca 0.60 1.25 -0.46 0.00 0.71 0.00 0.00 52.55 54.66 1zhb s ASP 53 Cb -0.14 -2.37 -0.20 0.00 1.01 0.00 0.00 42.92 41.22 1zhb s ASP 53 CO 0.54 -0.33 1.52 0.80 0.21 0.00 0.00 175.17 177.91 1zhb n MET 54 N -0.90 0.00 -4.05 8.23 0.00 -1.26 -4.94 117.12 114.20 1zhb n MET 54 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.66 1zhb n MET 54 Cb 0.54 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 32.16 1zhb n MET 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1zhb s SER 55 N 2.55 0.41 0.04 6.12 0.01 -1.23 -5.06 113.70 116.54 1zhb s SER 55 Ca 1.03 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 57.46 1zhb s SER 55 Cb -1.46 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 1zhb s SER 55 CO 0.78 -0.53 -0.10 0.72 0.41 0.00 0.00 173.24 174.51 1zhb s PHE 56 N -3.31 0.89 0.69 2.43 -0.12 -1.26 -1.38 117.98 115.92 1zhb s PHE 56 Ca 0.01 -0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 56.42 1zhb s PHE 56 Cb 0.03 -0.53 0.04 0.00 -0.63 0.00 0.00 43.02 41.93 1zhb s PHE 56 CO -0.08 -0.01 1.03 -1.12 -0.05 0.00 0.00 175.22 174.99 1zhb s SER 57 N -1.26 5.14 0.00 1.98 0.01 0.89 -4.91 113.70 115.56 1zhb s SER 57 Ca -0.03 0.76 0.10 0.00 1.31 0.00 0.00 55.95 58.09 1zhb s SER 57 Cb -0.08 -1.51 0.53 0.00 0.21 0.00 0.00 66.02 65.16 1zhb s SER 57 CO 0.01 -1.43 1.23 2.29 0.41 0.00 0.00 173.24 175.74 1zhb n LYS 58 N -2.91 0.15 -0.49 12.44 2.85 -1.26 0.14 118.16 129.08 1zhb n LYS 58 Ca 0.07 0.19 0.10 0.00 -1.05 0.00 0.00 58.31 57.61 1zhb n LYS 58 Cb 0.59 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.80 1zhb n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1zhb n ASP 59 N -1.28 4.21 0.00 -5.58 5.75 -1.26 -4.94 116.55 113.44 1zhb n ASP 59 Ca 0.05 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1zhb n ASP 59 Cb 0.08 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1zhb n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1zhb n TRP 60 N 1.31 0.00 -2.24 2.11 7.02 0.12 -5.02 117.44 120.74 1zhb n TRP 60 Ca 0.24 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.39 1zhb n TRP 60 Cb 0.74 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 29.60 1zhb n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zhb s SER 61 N -3.94 6.06 0.34 -0.99 1.04 -1.26 -4.68 113.70 110.27 1zhb s SER 61 Ca 0.00 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.26 1zhb s SER 61 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1zhb s SER 61 CO 0.00 -0.98 0.54 -0.36 0.98 0.00 0.00 173.24 173.42 1zhb s PHE 62 N -2.33 3.50 -0.09 5.02 0.40 -0.39 -0.08 117.98 124.02 1zhb s PHE 62 Ca 0.64 0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 57.12 1zhb s PHE 62 Cb -0.15 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.54 1zhb s PHE 62 CO 0.31 0.13 0.45 1.52 0.70 0.00 0.00 175.22 178.33 1zhb s TYR 63 N -2.31 -0.41 0.00 0.36 -0.85 -0.48 -1.81 117.35 111.86 1zhb s TYR 63 Ca 0.40 0.85 0.00 0.00 -0.52 0.00 0.00 57.07 57.80 1zhb s TYR 63 Cb -0.10 0.19 -0.00 0.00 0.38 0.00 0.00 41.96 42.43 1zhb s TYR 63 CO 0.36 -0.38 -0.02 0.42 -1.52 0.00 0.00 175.55 174.41 1zhb s ILE 64 N -0.66 0.13 -0.24 -3.49 1.01 0.32 -3.56 121.20 114.71 1zhb s ILE 64 Ca -0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1zhb s ILE 64 Cb -0.03 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1zhb s ILE 64 CO 0.04 -0.05 0.06 -0.22 0.00 0.00 0.00 174.94 174.77 1zhb s LEU 65 N -0.27 3.40 -0.12 2.97 2.96 -1.26 -1.03 118.68 125.33 1zhb s LEU 65 Ca -0.02 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1zhb s LEU 65 Cb -0.02 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1zhb s LEU 65 CO -0.00 -0.02 0.11 0.00 -1.32 0.00 0.00 176.35 175.12 1zhb s ALA 66 N 1.51 3.73 0.09 5.97 0.00 -0.20 -0.71 121.76 132.16 1zhb s ALA 66 Ca 0.06 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1zhb s ALA 66 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1zhb s ALA 66 CO 0.03 0.57 0.16 -3.38 0.00 0.00 0.00 175.76 173.14 1zhb s HIS 67 N -0.88 0.23 0.09 0.00 -3.43 -0.19 0.86 115.29 111.98 1zhb s HIS 67 Ca 0.14 -0.67 -0.17 0.00 -0.80 0.00 0.00 55.06 53.55 1zhb s HIS 67 Cb -0.12 -0.11 0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1zhb s HIS 67 CO 0.03 -0.53 0.41 -0.08 -2.00 0.00 0.00 174.74 172.58 1zhb s THR 68 N -3.88 0.06 0.35 -5.38 -1.32 -0.40 -1.16 115.64 103.91 1zhb s THR 68 Ca 0.06 -0.51 -0.27 0.00 -1.21 0.00 0.00 61.69 59.77 1zhb s THR 68 Cb 0.05 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.87 1zhb s THR 68 CO -0.10 -0.28 1.10 -1.61 -2.21 0.00 0.00 174.62 171.52 1zhb s GLU 69 N -3.27 4.33 -0.01 7.08 2.02 -1.26 -0.90 118.70 126.69 1zhb s GLU 69 Ca -0.00 1.71 -0.29 0.00 0.02 0.00 0.00 54.97 56.41 1zhb s GLU 69 Cb 0.01 -2.84 0.07 0.00 0.10 0.00 0.00 34.13 31.47 1zhb s GLU 69 CO -0.08 -0.04 0.66 -0.59 0.02 0.00 0.00 175.26 175.23 1zhb s PHE 70 N -1.40 -0.63 -0.35 1.61 -0.71 -0.64 -4.80 117.98 111.07 1zhb s PHE 70 Ca 0.52 0.97 0.01 0.00 -1.04 0.00 0.00 56.93 57.39 1zhb s PHE 70 Cb -0.28 0.43 0.09 0.00 -1.21 0.00 0.00 43.02 42.04 1zhb s PHE 70 CO 0.36 -0.65 0.07 0.99 -1.34 0.00 0.00 175.22 174.66 1zhb s THR 71 N -1.63 2.73 0.38 -4.49 2.01 -1.26 -0.44 115.64 112.93 1zhb s THR 71 Ca -0.09 -2.00 -0.27 0.00 0.31 0.00 0.00 61.69 59.64 1zhb s THR 71 Cb -0.00 -2.84 -0.09 0.00 0.01 0.00 0.00 72.50 69.58 1zhb s THR 71 CO 0.06 -0.48 1.27 -2.16 -0.69 0.00 0.00 174.62 172.62 1zhb s PRO 72 N 1.06 4.12 0.53 4.92 0.04 -1.26 -4.74 135.00 139.67 1zhb s PRO 72 Ca 0.05 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.20 1zhb s PRO 72 Cb -0.20 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1zhb s PRO 72 CO -0.05 -0.35 0.15 0.25 0.04 0.00 0.00 177.00 177.04 1zhb n THR 73 N 0.34 0.00 0.25 1.26 -2.24 -1.26 0.09 114.28 112.73 1zhb n THR 73 Ca 0.03 -2.36 0.14 0.00 -2.27 0.00 0.00 64.05 59.58 1zhb n THR 73 Cb 0.44 0.30 0.58 0.00 -2.10 0.00 0.00 70.33 69.55 1zhb n THR 73 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1zhb h GLU 74 N 0.00 0.00 0.00 -0.78 9.09 -1.97 -3.37 114.58 117.55 1zhb h GLU 74 Ca -0.40 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.98 1zhb h GLU 74 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 1zhb h GLU 74 CO 0.66 0.09 -1.15 -2.37 0.05 0.00 0.00 179.01 176.28 1zhb n THR 75 N -3.22 0.11 -2.03 -1.06 5.66 -1.26 -4.99 114.28 107.50 1zhb n THR 75 Ca 0.01 -0.09 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 1zhb n THR 75 Cb 0.36 -0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 68.64 1zhb n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1zhb s ASP 76 N -2.97 6.67 -0.11 1.09 1.01 -1.26 -5.00 116.67 116.10 1zhb s ASP 76 Ca -0.01 2.19 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 1zhb s ASP 76 Cb 0.01 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1zhb s ASP 76 CO 0.11 -0.93 0.26 0.42 0.21 0.00 0.00 175.17 175.23 1zhb s THR 77 N 4.05 5.31 0.07 -1.27 -4.23 -1.26 -4.80 115.64 113.51 1zhb s THR 77 Ca 0.72 0.47 0.09 0.00 -1.18 0.00 0.00 61.69 61.80 1zhb s THR 77 Cb -0.32 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1zhb s THR 77 CO 0.29 0.52 -0.25 -0.31 -0.54 0.00 0.00 174.62 174.33 1zhb s TYR 78 N -0.46 2.20 0.10 3.99 2.02 -1.26 0.32 117.35 124.26 1zhb s TYR 78 Ca 0.17 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1zhb s TYR 78 Cb -0.13 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1zhb s TYR 78 CO 0.06 0.17 0.30 0.00 -1.57 0.00 0.00 175.55 174.51 1zhb s ALA 79 N -0.88 -0.60 -0.12 3.71 0.00 -0.93 0.55 121.76 123.48 1zhb s ALA 79 Ca 0.11 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1zhb s ALA 79 Cb -0.10 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 1zhb s ALA 79 CO 0.03 -0.55 -0.21 0.00 0.00 0.00 0.00 175.76 175.03 1zhb s ARG 81 N 0.52 3.22 -0.09 0.00 3.52 0.19 -1.21 118.95 125.09 1zhb s ARG 81 Ca -0.13 -0.73 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 1zhb s ARG 81 Cb -0.17 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1zhb s ARG 81 CO 0.05 -0.11 -0.24 0.08 -0.81 0.00 0.00 175.30 174.26 1zhb s VAL 82 N 1.16 2.05 -0.10 7.11 1.01 0.40 -0.28 120.40 131.75 1zhb s VAL 82 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1zhb s VAL 82 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1zhb s VAL 82 CO -0.05 0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.71 1zhb s LYS 83 N 0.28 3.04 -0.15 2.72 2.20 0.15 -1.16 119.74 126.82 1zhb s LYS 83 Ca -0.17 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.47 1zhb s LYS 83 Cb -0.17 -2.51 0.06 0.00 -1.51 0.00 0.00 37.83 33.70 1zhb s LYS 83 CO 0.08 0.35 0.64 -1.58 -0.36 0.00 0.00 175.35 174.48 1zhb s HIS 84 N -0.02 -0.66 0.04 4.03 2.46 -1.26 -1.73 115.29 118.15 1zhb s HIS 84 Ca -0.04 1.39 0.31 0.00 0.47 0.00 0.00 55.06 57.19 1zhb s HIS 84 Cb -0.14 0.30 1.52 0.00 -0.13 0.00 0.00 32.58 34.13 1zhb s HIS 84 CO 0.04 -0.46 1.93 -0.44 -2.47 0.00 0.00 174.74 173.35 1zhb h ASP 85 N 4.16 0.00 0.57 9.88 3.32 -1.94 0.00 116.42 132.41 1zhb h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1zhb h ASP 85 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1zhb h ASP 85 CO 0.23 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.21 1zhb n SER 86 N -2.64 0.00 -4.16 6.45 3.41 -1.26 -4.78 113.62 110.63 1zhb n SER 86 Ca -0.01 0.49 -0.29 0.00 -0.26 0.00 0.00 58.87 58.81 1zhb n SER 86 Cb 0.14 -0.50 -0.17 0.00 -0.26 0.00 0.00 64.21 63.43 1zhb n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1zhb s MET 87 N -2.99 2.32 0.31 4.33 -1.94 -0.01 -4.94 119.30 116.37 1zhb s MET 87 Ca 0.08 -0.71 0.09 0.00 -1.71 0.00 0.00 55.69 53.44 1zhb s MET 87 Cb 0.11 -1.88 0.49 0.00 2.01 0.00 0.00 34.83 35.56 1zhb s MET 87 CO 0.30 0.20 1.71 0.00 -0.01 0.00 0.00 175.02 177.23 1zhb h ALA 88 N 6.51 1.14 -2.30 3.03 0.00 -1.86 -3.43 119.26 122.35 1zhb h ALA 88 Ca -0.28 -0.43 -0.42 0.00 0.00 0.00 0.00 54.91 53.78 1zhb h ALA 88 Cb 1.20 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1zhb h ALA 88 CO 0.47 0.60 -0.73 -1.21 0.00 0.00 0.00 179.25 178.38 1zhb s GLU 89 N -4.04 1.25 0.49 0.00 0.41 -1.26 -5.10 118.70 110.45 1zhb s GLU 89 Ca -0.03 -1.53 -0.22 0.00 -0.41 0.00 0.00 54.97 52.77 1zhb s GLU 89 Cb 0.13 -1.01 -0.06 0.00 -1.78 0.00 0.00 34.13 31.41 1zhb s GLU 89 CO 0.76 0.17 1.23 -2.14 -0.49 0.00 0.00 175.26 174.78 1zhb s PRO 90 N -3.57 3.52 -0.19 0.39 0.02 -1.26 -4.79 135.00 129.13 1zhb s PRO 90 Ca 0.20 1.92 -0.10 0.00 0.02 0.00 0.00 61.00 63.04 1zhb s PRO 90 Cb -0.01 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1zhb s PRO 90 CO 0.05 -0.79 0.13 0.21 -0.33 0.00 0.00 177.00 176.27 1zhb s LYS 91 N -2.80 4.11 -0.16 5.54 2.20 -0.31 -4.91 119.74 123.42 1zhb s LYS 91 Ca 0.67 -0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1zhb s LYS 91 Cb -0.32 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1zhb s LYS 91 CO 0.39 0.34 -0.01 0.99 -0.36 0.00 0.00 175.35 176.70 1zhb s THR 92 N 0.23 4.12 -0.03 3.43 2.01 -1.26 -0.45 115.64 123.69 1zhb s THR 92 Ca 0.09 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1zhb s THR 92 Cb -0.11 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1zhb s THR 92 CO -0.01 0.49 -0.18 0.54 -0.69 0.00 0.00 174.62 174.77 1zhb s VAL 93 N 0.27 1.48 -0.01 3.82 0.11 -0.35 -4.96 120.40 120.75 1zhb s VAL 93 Ca -0.01 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 1zhb s VAL 93 Cb -0.14 -1.25 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1zhb s VAL 93 CO 0.02 0.42 0.32 -0.31 -3.33 0.00 0.00 175.10 172.23 1zhb s TYR 94 N -0.19 3.65 0.09 1.54 2.02 -1.26 -0.19 117.35 123.00 1zhb s TYR 94 Ca 0.01 0.78 -0.31 0.00 -0.37 0.00 0.00 57.07 57.19 1zhb s TYR 94 Cb -0.10 -2.14 -0.09 0.00 -0.40 0.00 0.00 41.96 39.24 1zhb s TYR 94 CO 0.01 0.64 1.63 -0.46 -1.57 0.00 0.00 175.55 175.80 1zhb s TRP 95 N -1.16 2.57 -0.25 2.71 -0.00 0.19 -4.86 118.94 118.15 1zhb s TRP 95 Ca 0.24 0.40 0.01 0.00 -0.00 0.00 0.00 56.10 56.74 1zhb s TRP 95 Cb -0.15 -3.95 0.04 0.00 -0.00 0.00 0.00 33.47 29.42 1zhb s TRP 95 CO 0.12 -3.74 -0.09 0.34 -0.00 0.00 0.00 176.95 173.58 1zhb s ASP 96 N 2.12 4.29 0.44 5.86 -1.08 -1.26 -4.76 116.67 122.28 1zhb s ASP 96 Ca 0.73 -1.12 0.11 0.00 -0.52 0.00 0.00 52.55 51.74 1zhb s ASP 96 Cb -0.40 -1.60 0.97 0.00 -1.46 0.00 0.00 42.92 40.43 1zhb s ASP 96 CO 0.32 -0.16 2.05 0.08 0.52 0.00 0.00 175.17 177.98 1zhb h ARG 97 N 7.90 0.28 0.00 4.34 0.11 -1.94 -0.25 114.38 124.82 1zhb h ARG 97 Ca -0.27 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1zhb h ARG 97 Cb 1.08 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1zhb h ARG 97 CO 0.53 0.24 0.00 -0.25 0.10 0.00 0.00 179.97 180.60 1zhb n ASP 98 N -4.44 0.00 0.00 0.08 8.00 -1.26 -4.87 116.55 114.05 1zhb n ASP 98 Ca 0.00 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1zhb n ASP 98 Cb 0.13 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1zhb n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04