#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zhn s GLN 2 N 0.00 3.12 -0.16 6.28 -0.21 -1.26 -4.57 119.66 122.86 1zhn s GLN 2 Ca 0.00 -0.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.53 1zhn s GLN 2 Cb 0.00 -3.97 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1zhn s GLN 2 CO 0.00 -0.88 0.33 0.15 -2.12 0.00 0.00 175.29 172.77 1zhn s LYS 3 N 2.25 4.27 0.17 2.91 1.02 -0.48 -4.96 119.74 124.92 1zhn s LYS 3 Ca 0.14 0.16 -0.14 0.00 0.02 0.00 0.00 55.97 56.14 1zhn s LYS 3 Cb -0.17 -3.44 -0.07 0.00 -0.52 0.00 0.00 37.83 33.63 1zhn s LYS 3 CO 0.14 0.20 0.57 0.95 -0.92 0.00 0.00 175.35 176.29 1zhn s THR 4 N 0.58 4.84 0.49 2.17 -4.23 -1.26 -1.05 115.64 117.18 1zhn s THR 4 Ca 0.18 0.83 -0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1zhn s THR 4 Cb -0.13 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 1zhn s THR 4 CO 0.05 0.19 1.25 -2.16 -0.54 0.00 0.00 174.62 173.41 1zhn s PRO 5 N -2.09 3.55 -0.00 3.99 0.04 -1.26 -4.28 135.00 134.95 1zhn s PRO 5 Ca 0.40 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1zhn s PRO 5 Cb -0.15 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1zhn s PRO 5 CO 0.19 -0.78 0.04 -1.14 0.04 0.00 0.00 177.00 175.36 1zhn s GLN 6 N -2.72 2.92 -0.06 4.56 0.74 -0.01 -4.94 119.66 120.16 1zhn s GLN 6 Ca 0.66 -0.55 0.02 0.00 0.05 0.00 0.00 55.36 55.54 1zhn s GLN 6 Cb -0.34 -2.76 0.02 0.00 1.10 0.00 0.00 33.01 31.02 1zhn s GLN 6 CO 0.41 0.64 -0.09 0.42 -0.55 0.00 0.00 175.29 176.11 1zhn s ILE 7 N -1.14 0.92 -0.02 -2.34 1.01 -1.26 -1.07 121.20 117.30 1zhn s ILE 7 Ca 0.21 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1zhn s ILE 7 Cb -0.12 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1zhn s ILE 7 CO 0.12 0.31 -0.14 -1.10 0.00 0.00 0.00 174.94 174.12 1zhn s GLN 8 N 0.72 1.26 -0.19 2.79 -0.21 0.33 -4.99 119.66 119.38 1zhn s GLN 8 Ca -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 1zhn s GLN 8 Cb -0.15 -1.19 0.05 0.00 1.00 0.00 0.00 33.01 32.72 1zhn s GLN 8 CO 0.02 0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 173.54 1zhn s VAL 9 N -0.21 1.00 -0.04 1.09 1.01 -1.26 -0.45 120.40 121.53 1zhn s VAL 9 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1zhn s VAL 9 Cb -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1zhn s VAL 9 CO -0.00 -0.05 0.15 -0.72 0.00 0.00 0.00 175.10 174.48 1zhn s TYR 10 N 1.66 -0.09 0.52 5.22 1.13 -0.87 -4.57 117.35 120.34 1zhn s TYR 10 Ca -0.02 0.21 -0.13 0.00 -1.41 0.00 0.00 57.07 55.72 1zhn s TYR 10 Cb -0.17 0.02 -0.06 0.00 -1.10 0.00 0.00 41.96 40.65 1zhn s TYR 10 CO -0.07 -0.16 0.95 -1.54 -2.51 0.00 0.00 175.55 172.21 1zhn s SER 11 N -0.49 6.48 0.10 -0.18 1.04 -1.26 -1.44 113.70 117.95 1zhn s SER 11 Ca -0.06 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 1zhn s SER 11 Cb -0.04 -2.45 -0.18 0.00 0.10 0.00 0.00 66.02 63.46 1zhn s SER 11 CO 0.01 -0.63 1.23 -0.09 0.98 0.00 0.00 173.24 174.74 1zhn h ARG 12 N 0.60 0.52 -5.67 4.02 1.12 -1.31 -3.46 114.38 110.20 1zhn h ARG 12 Ca -0.46 -0.60 -0.53 0.00 -1.11 0.00 0.00 59.98 57.28 1zhn h ARG 12 Cb 1.19 0.18 -0.14 0.00 -0.01 0.00 0.00 29.97 31.19 1zhn h ARG 12 CO 0.62 1.22 -0.69 -1.01 -3.11 0.00 0.00 179.97 177.00 1zhn s HIS 13 N -3.20 2.06 0.04 2.20 3.76 -1.26 -5.02 115.29 113.87 1zhn s HIS 13 Ca -0.07 -0.61 -0.35 0.00 -0.15 0.00 0.00 55.06 53.88 1zhn s HIS 13 Cb 0.08 -1.13 -0.14 0.00 1.11 0.00 0.00 32.58 32.50 1zhn s HIS 13 CO 0.89 0.39 1.66 -0.35 -0.85 0.00 0.00 174.74 176.49 1zhn n PRO 14 N -0.61 1.95 -2.32 8.40 -0.04 -1.26 -4.90 135.00 136.22 1zhn n PRO 14 Ca -0.06 0.71 -0.40 0.00 -0.04 0.00 0.00 63.50 63.71 1zhn n PRO 14 Cb 0.63 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1zhn n PRO 14 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1zhn s PRO 15 N 2.09 4.52 -0.10 0.54 0.04 -1.26 -5.03 135.00 135.79 1zhn s PRO 15 Ca 0.86 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.78 1zhn s PRO 15 Cb -0.75 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 30.68 1zhn s PRO 15 CO 0.46 0.04 0.27 -2.00 0.04 0.00 0.00 177.00 175.81 1zhn s GLU 16 N -1.60 0.31 0.26 4.56 2.12 -1.26 -5.11 118.70 117.98 1zhn s GLU 16 Ca 0.46 0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.90 1zhn s GLU 16 Cb -0.35 0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.06 1zhn s GLU 16 CO 0.46 -0.05 1.48 -0.80 -0.54 0.00 0.00 175.26 175.81 1zhn s ASN 17 N 0.26 6.58 0.00 -1.70 0.01 -1.26 -1.33 114.94 117.50 1zhn s ASN 17 Ca -0.01 2.74 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 1zhn s ASN 17 Cb -0.03 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1zhn s ASN 17 CO -0.01 -0.75 0.00 0.61 -1.51 0.00 0.00 177.10 175.44 1zhn n GLY 18 N 2.14 0.89 3.25 0.66 0.00 -0.93 -5.00 105.19 106.21 1zhn n GLY 18 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1zhn n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zhn s LYS 19 N -0.10 2.96 0.18 1.61 -0.14 -0.44 -4.99 119.74 118.82 1zhn s LYS 19 Ca 0.00 -0.91 -0.32 0.00 -1.36 0.00 0.00 55.97 53.39 1zhn s LYS 19 Cb 0.00 -3.08 -0.16 0.00 -1.68 0.00 0.00 37.83 32.91 1zhn s LYS 19 CO 0.00 -0.38 1.01 -2.30 -0.76 0.00 0.00 175.35 172.92 1zhn n PRO 20 N 4.73 0.88 -3.75 -1.68 -0.02 -1.26 -4.31 135.00 129.59 1zhn n PRO 20 Ca -0.16 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 1zhn n PRO 20 Cb 0.48 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1zhn n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zhn n ASN 21 N 1.81 -1.14 -4.15 2.55 2.85 0.39 -4.98 115.26 112.59 1zhn n ASN 21 Ca 0.15 -2.72 -0.25 0.00 -0.11 0.00 0.00 54.58 51.65 1zhn n ASN 21 Cb 0.24 2.16 -0.16 0.00 1.24 0.00 0.00 39.78 43.27 1zhn n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1zhn s ILE 22 N -2.83 1.40 -0.18 -1.44 1.01 -1.26 -1.91 121.20 115.99 1zhn s ILE 22 Ca 0.27 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1zhn s ILE 22 Cb -0.01 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1zhn s ILE 22 CO 0.19 0.40 -0.08 -0.22 0.00 0.00 0.00 174.94 175.24 1zhn s LEU 23 N -0.20 2.86 -0.10 2.97 2.96 0.00 -0.71 118.68 126.46 1zhn s LEU 23 Ca 0.02 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1zhn s LEU 23 Cb -0.09 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1zhn s LEU 23 CO 0.01 0.08 0.03 0.20 -1.32 0.00 0.00 176.35 175.35 1zhn s ASN 24 N 0.89 5.48 -0.41 3.68 0.01 -0.52 -1.08 114.94 123.00 1zhn s ASN 24 Ca -0.02 0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.35 1zhn s ASN 24 Cb -0.15 -1.64 0.12 0.00 0.41 0.00 0.00 41.25 39.98 1zhn s ASN 24 CO 0.01 0.36 0.15 0.00 -1.51 0.00 0.00 177.10 176.11 1zhn s TYR 26 N 0.57 3.11 -0.09 0.00 6.04 0.40 -2.31 117.35 125.07 1zhn s TYR 26 Ca 0.14 0.73 -0.01 0.00 0.04 0.00 0.00 57.07 57.97 1zhn s TYR 26 Cb -0.22 -3.52 -0.03 0.00 -1.04 0.00 0.00 41.96 37.15 1zhn s TYR 26 CO -0.07 -0.76 -0.02 0.08 -1.54 0.00 0.00 175.55 173.23 1zhn s VAL 27 N 3.31 4.09 0.09 3.14 1.01 -0.46 -0.51 120.40 131.07 1zhn s VAL 27 Ca 0.36 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1zhn s VAL 27 Cb -0.13 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1zhn s VAL 27 CO 0.17 0.59 0.36 0.28 0.00 0.00 0.00 175.10 176.50 1zhn s THR 28 N -0.75 0.08 -1.30 3.92 -1.32 -0.23 -0.64 115.64 115.40 1zhn s THR 28 Ca 0.12 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1zhn s THR 28 Cb -0.11 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1zhn s THR 28 CO 0.02 -0.36 0.00 0.00 -2.21 0.00 0.00 174.62 172.07 1zhn n GLN 29 N 0.05 -0.91 -3.90 7.08 1.13 -0.76 -0.83 117.38 119.25 1zhn n GLN 29 Ca -0.17 0.89 -0.22 0.00 -1.94 0.00 0.00 57.00 55.56 1zhn n GLN 29 Cb 0.62 -4.95 -0.04 0.00 0.11 0.00 0.00 30.24 25.97 1zhn n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1zhn s PHE 30 N -2.50 2.85 -0.29 1.08 -0.71 -1.15 -4.12 117.98 113.13 1zhn s PHE 30 Ca 0.00 -0.32 -0.22 0.00 -1.04 0.00 0.00 56.93 55.35 1zhn s PHE 30 Cb 0.00 -1.75 0.18 0.00 -1.21 0.00 0.00 43.02 40.24 1zhn s PHE 30 CO 0.00 0.23 1.26 -1.58 -1.34 0.00 0.00 175.22 173.80 1zhn s HIS 31 N -2.34 -0.20 1.15 3.49 2.46 -0.21 -1.57 115.29 118.07 1zhn s HIS 31 Ca 0.40 0.46 -0.18 0.00 0.47 0.00 0.00 55.06 56.21 1zhn s HIS 31 Cb -0.05 0.34 0.26 0.00 -0.13 0.00 0.00 32.58 33.00 1zhn s HIS 31 CO 0.25 -0.10 1.12 -1.25 -2.47 0.00 0.00 174.74 172.30 1zhn s PRO 32 N 0.46 -0.79 -1.23 2.88 0.04 -1.26 -1.38 135.00 133.73 1zhn s PRO 32 Ca 0.01 0.00 -0.08 0.00 0.04 0.00 0.00 61.00 60.97 1zhn s PRO 32 Cb -0.04 -1.64 0.20 0.00 0.04 0.00 0.00 34.50 33.06 1zhn s PRO 32 CO -0.12 -3.44 1.77 -0.35 0.04 0.00 0.00 177.00 174.90 1zhn n PRO 33 N -4.58 3.85 -3.68 0.56 -0.04 -1.26 -4.82 135.00 125.02 1zhn n PRO 33 Ca 0.12 -3.80 -0.14 0.00 -0.04 0.00 0.00 63.50 59.64 1zhn n PRO 33 Cb 0.59 -2.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.10 1zhn n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1zhn s HIS 34 N -0.45 -0.34 -0.21 0.54 3.76 -1.26 -5.16 115.29 112.17 1zhn s HIS 34 Ca 0.37 0.84 -0.22 0.00 -0.15 0.00 0.00 55.06 55.91 1zhn s HIS 34 Cb 0.08 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.76 1zhn s HIS 34 CO 0.03 -0.30 0.61 -1.50 -0.85 0.00 0.00 174.74 172.72 1zhn s ILE 35 N 2.10 0.00 -0.13 0.60 2.07 -1.26 -4.63 121.20 119.94 1zhn s ILE 35 Ca -0.01 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.17 1zhn s ILE 35 Cb -0.12 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1zhn s ILE 35 CO -0.08 -0.01 0.02 -0.70 -1.91 0.00 0.00 174.94 172.27 1zhn s GLU 36 N 0.19 3.49 -0.09 3.50 2.12 -1.09 -5.00 118.70 121.82 1zhn s GLU 36 Ca -0.01 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 54.97 1zhn s GLU 36 Cb -0.04 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1zhn s GLU 36 CO 0.01 0.47 -0.22 0.42 -0.54 0.00 0.00 175.26 175.41 1zhn s ILE 37 N -0.22 1.90 0.06 -3.70 1.01 -1.26 -0.13 121.20 118.86 1zhn s ILE 37 Ca 0.06 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.88 1zhn s ILE 37 Cb -0.12 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1zhn s ILE 37 CO 0.02 0.52 -0.24 -1.10 0.00 0.00 0.00 174.94 174.14 1zhn s GLN 38 N 0.40 1.82 -0.11 2.79 -0.21 0.99 -4.99 119.66 120.36 1zhn s GLN 38 Ca -0.18 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.09 1zhn s GLN 38 Cb -0.18 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 1zhn s GLN 38 CO 0.08 0.51 -0.12 -1.64 -2.12 0.00 0.00 175.29 172.00 1zhn s MET 39 N -1.43 3.13 -0.05 2.91 -1.94 -1.26 -0.41 119.30 120.25 1zhn s MET 39 Ca 0.13 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1zhn s MET 39 Cb -0.10 -2.59 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1zhn s MET 39 CO 0.04 0.36 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.65 1zhn s LEU 40 N -0.03 2.11 -0.29 -0.03 1.43 0.29 -0.26 118.68 121.90 1zhn s LEU 40 Ca -0.03 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1zhn s LEU 40 Cb -0.14 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1zhn s LEU 40 CO 0.04 0.26 0.06 -0.75 0.23 0.00 0.00 176.35 176.19 1zhn s LYS 41 N -0.23 3.08 -1.32 1.70 2.20 -0.06 -1.05 119.74 124.06 1zhn s LYS 41 Ca -0.01 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.73 1zhn s LYS 41 Cb -0.13 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1zhn s LYS 41 CO 0.03 -0.43 0.64 0.09 -0.36 0.00 0.00 175.35 175.32 1zhn n ASN 42 N 4.85 -1.19 0.00 1.43 5.03 0.45 -1.71 115.26 124.12 1zhn n ASN 42 Ca -0.15 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1zhn n ASN 42 Cb 0.48 -3.81 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 1zhn n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zhn n GLY 43 N -1.67 2.36 3.83 7.41 0.00 -1.26 -4.98 105.19 110.88 1zhn n GLY 43 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1zhn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zhn s LYS 44 N 0.00 4.14 0.30 1.61 1.02 -0.70 -4.98 119.74 121.14 1zhn s LYS 44 Ca 0.00 0.81 -0.28 0.00 0.02 0.00 0.00 55.97 56.52 1zhn s LYS 44 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1zhn s LYS 44 CO 0.00 0.25 1.02 0.21 -0.92 0.00 0.00 175.35 175.91 1zhn s LYS 45 N -2.55 4.60 -0.27 1.68 2.20 -1.26 -0.89 119.74 123.26 1zhn s LYS 45 Ca 0.50 1.58 -0.14 0.00 -0.36 0.00 0.00 55.97 57.55 1zhn s LYS 45 Cb -0.13 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1zhn s LYS 45 CO 0.19 0.24 0.34 0.42 -0.36 0.00 0.00 175.35 176.18 1zhn s ILE 46 N -1.34 5.20 -0.19 5.43 1.01 0.64 -4.83 121.20 127.13 1zhn s ILE 46 Ca 0.47 0.51 0.20 0.00 0.00 0.00 0.00 60.65 61.83 1zhn s ILE 46 Cb -0.26 -3.67 0.21 0.00 0.01 0.00 0.00 42.46 38.75 1zhn s ILE 46 CO 0.33 0.18 1.60 1.55 0.00 0.00 0.00 174.94 178.61 1zhn h PRO 47 N 8.13 0.00 -1.01 2.79 0.13 -1.96 -3.38 132.00 136.70 1zhn h PRO 47 Ca -0.33 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 1zhn h PRO 47 Cb 1.17 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 1zhn h PRO 47 CO 0.63 0.25 0.51 0.36 -0.23 0.00 0.00 178.00 179.53 1zhn n LYS 48 N -3.20 1.97 -3.14 0.86 2.85 -1.26 -4.98 118.16 111.26 1zhn n LYS 48 Ca 0.02 -2.31 -0.40 0.00 -1.05 0.00 0.00 58.31 54.57 1zhn n LYS 48 Cb 0.58 -1.91 -0.06 0.00 -0.65 0.00 0.00 35.03 32.99 1zhn n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1zhn s VAL 49 N -2.58 5.02 0.15 0.58 1.01 -1.26 -4.88 120.40 118.44 1zhn s VAL 49 Ca 0.44 1.11 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 1zhn s VAL 49 Cb 0.37 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1zhn s VAL 49 CO 0.08 0.08 0.43 -0.70 0.00 0.00 0.00 175.10 174.99 1zhn s GLU 50 N 2.17 3.70 0.02 2.72 2.56 -0.88 -4.93 118.70 124.07 1zhn s GLU 50 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.97 55.31 1zhn s GLU 50 Cb -0.16 -2.83 -0.02 0.00 2.00 0.00 0.00 34.13 33.13 1zhn s GLU 50 CO 0.09 0.45 -0.03 -1.64 -0.56 0.00 0.00 175.26 173.57 1zhn s MET 51 N -2.53 0.30 0.63 4.30 -1.94 -1.26 -1.60 119.30 117.20 1zhn s MET 51 Ca 0.41 -0.52 -0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1zhn s MET 51 Cb -0.12 0.00 -0.02 0.00 2.01 0.00 0.00 34.83 36.70 1zhn s MET 51 CO 0.22 -0.02 1.01 -1.54 -0.01 0.00 0.00 175.02 174.69 1zhn s SER 52 N -1.20 5.96 0.36 3.03 1.04 0.23 -5.00 113.70 118.11 1zhn s SER 52 Ca -0.12 1.23 -0.27 0.00 0.48 0.00 0.00 55.95 57.28 1zhn s SER 52 Cb -0.08 -2.23 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 1zhn s SER 52 CO -0.01 -0.99 1.15 -1.81 0.98 0.00 0.00 173.24 172.56 1zhn s ASP 53 N -4.23 6.78 0.42 7.02 -0.00 -1.26 -4.67 116.67 120.72 1zhn s ASP 53 Ca 0.55 2.32 -0.25 0.00 -0.00 0.00 0.00 52.55 55.17 1zhn s ASP 53 Cb -0.11 -2.62 -0.08 0.00 -0.00 0.00 0.00 42.92 40.11 1zhn s ASP 53 CO 0.52 -0.49 1.22 -0.32 -0.00 0.00 0.00 175.17 176.10 1zhn s MET 54 N -2.05 3.92 0.32 8.23 -2.45 -1.26 -4.85 119.30 121.16 1zhn s MET 54 Ca 0.53 1.95 0.03 0.00 -1.25 0.00 0.00 55.69 56.95 1zhn s MET 54 Cb -0.31 -2.63 -0.01 0.00 1.25 0.00 0.00 34.83 33.13 1zhn s MET 54 CO 0.39 -0.47 0.35 0.45 1.05 0.00 0.00 175.02 176.79 1zhn n SER 55 N -0.08 -0.92 -3.90 1.11 2.88 -1.17 -5.04 113.62 106.51 1zhn n SER 55 Ca 0.05 -2.93 -0.09 0.00 -1.33 0.00 0.00 58.87 54.57 1zhn n SER 55 Cb 0.46 1.91 -0.08 0.00 -0.75 0.00 0.00 64.21 65.75 1zhn n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1zhn s PHE 56 N -3.17 0.20 0.74 0.66 -0.12 -1.26 -1.68 117.98 113.35 1zhn s PHE 56 Ca 0.33 -0.61 -0.04 0.00 -0.05 0.00 0.00 56.93 56.56 1zhn s PHE 56 Cb 0.01 -0.11 0.12 0.00 -0.63 0.00 0.00 43.02 42.40 1zhn s PHE 56 CO 0.23 -0.49 1.03 -1.12 -0.05 0.00 0.00 175.22 174.83 1zhn s SER 57 N -2.70 4.29 0.40 1.98 0.01 -0.37 -4.89 113.70 112.43 1zhn s SER 57 Ca 0.03 -0.14 0.19 0.00 1.31 0.00 0.00 55.95 57.34 1zhn s SER 57 Cb 0.04 -0.26 1.12 0.00 0.21 0.00 0.00 66.02 67.13 1zhn s SER 57 CO -0.09 -1.90 1.77 0.50 0.41 0.00 0.00 173.24 173.92 1zhn h LYS 58 N -0.66 0.37 -0.78 12.44 1.63 -2.02 0.93 116.57 128.47 1zhn h LYS 58 Ca -0.39 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1zhn h LYS 58 Cb 1.27 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1zhn h LYS 58 CO 0.43 0.24 0.00 -0.40 -3.45 0.00 0.00 179.45 176.27 1zhn n ASP 59 N -4.61 1.71 0.00 4.20 5.75 -1.26 -4.90 116.55 117.44 1zhn n ASP 59 Ca 0.25 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1zhn n ASP 59 Cb 0.89 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1zhn n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1zhn n TRP 60 N 0.08 0.00 -2.62 2.11 7.02 0.32 -4.97 117.44 119.39 1zhn n TRP 60 Ca 0.05 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.18 1zhn n TRP 60 Cb 0.38 -0.27 -0.05 0.00 -2.42 0.00 0.00 31.31 28.96 1zhn n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zhn s SER 61 N -1.93 6.74 0.35 -0.99 1.04 -1.26 -4.68 113.70 112.97 1zhn s SER 61 Ca 0.00 1.92 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 1zhn s SER 61 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1zhn s SER 61 CO 0.00 -0.50 0.68 -0.36 0.98 0.00 0.00 173.24 174.03 1zhn s PHE 62 N -1.84 3.47 -0.05 5.02 0.40 -0.61 -1.23 117.98 123.13 1zhn s PHE 62 Ca 0.60 0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 57.72 1zhn s PHE 62 Cb -0.18 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1zhn s PHE 62 CO 0.22 0.02 0.23 1.52 0.70 0.00 0.00 175.22 177.91 1zhn s TYR 63 N -2.24 -0.17 -0.07 0.36 -0.85 -0.68 -1.83 117.35 111.88 1zhn s TYR 63 Ca 0.48 0.37 -0.07 0.00 -0.52 0.00 0.00 57.07 57.34 1zhn s TYR 63 Cb -0.10 0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.31 1zhn s TYR 63 CO 0.30 -0.23 0.19 -1.50 -1.52 0.00 0.00 175.55 172.79 1zhn s ILE 64 N -0.58 0.01 -0.25 -3.49 2.07 0.19 -3.03 121.20 116.11 1zhn s ILE 64 Ca -0.07 -0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1zhn s ILE 64 Cb -0.04 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1zhn s ILE 64 CO 0.02 -0.02 0.04 -0.22 -1.91 0.00 0.00 174.94 172.85 1zhn s LEU 65 N 0.01 3.40 0.07 8.50 2.96 -1.26 -1.36 118.68 131.00 1zhn s LEU 65 Ca -0.01 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1zhn s LEU 65 Cb -0.02 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1zhn s LEU 65 CO 0.00 -0.07 0.12 0.00 -1.32 0.00 0.00 176.35 175.08 1zhn s ALA 66 N 1.55 3.70 0.02 5.97 0.00 -0.98 -0.60 121.76 131.42 1zhn s ALA 66 Ca 0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1zhn s ALA 66 Cb -0.15 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1zhn s ALA 66 CO 0.02 0.77 0.38 -3.38 0.00 0.00 0.00 175.76 173.54 1zhn s HIS 67 N -1.41 -0.23 0.19 0.00 -3.43 -0.63 0.68 115.29 110.46 1zhn s HIS 67 Ca 0.30 0.24 -0.01 0.00 -0.80 0.00 0.00 55.06 54.80 1zhn s HIS 67 Cb -0.12 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.16 1zhn s HIS 67 CO 0.23 -0.51 0.11 -0.08 -2.00 0.00 0.00 174.74 172.49 1zhn s THR 68 N -2.09 0.06 0.02 -5.38 -1.32 -0.24 -2.07 115.64 104.62 1zhn s THR 68 Ca -0.08 -1.98 -0.20 0.00 -1.21 0.00 0.00 61.69 58.22 1zhn s THR 68 Cb -0.02 -2.42 -0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1zhn s THR 68 CO 0.00 -0.09 0.58 -1.61 -2.21 0.00 0.00 174.62 171.29 1zhn s GLU 69 N -4.13 4.27 -0.06 7.08 2.02 -1.26 -0.82 118.70 125.81 1zhn s GLU 69 Ca 0.36 0.73 -0.18 0.00 0.02 0.00 0.00 54.97 55.90 1zhn s GLU 69 Cb 0.07 -3.31 0.04 0.00 0.10 0.00 0.00 34.13 31.03 1zhn s GLU 69 CO 0.10 0.47 0.40 -0.59 0.02 0.00 0.00 175.26 175.66 1zhn s PHE 70 N -0.52 -0.33 -0.41 1.61 -0.00 -0.80 -4.92 117.98 112.62 1zhn s PHE 70 Ca 0.30 0.63 -0.07 0.00 -0.00 0.00 0.00 56.93 57.79 1zhn s PHE 70 Cb -0.19 0.17 0.08 0.00 -0.00 0.00 0.00 43.02 43.09 1zhn s PHE 70 CO 0.18 -0.39 0.23 0.99 -0.00 0.00 0.00 175.22 176.22 1zhn s THR 71 N -0.93 3.91 0.50 -4.49 2.01 -1.26 -0.46 115.64 114.91 1zhn s THR 71 Ca -0.10 -1.56 -0.22 0.00 0.31 0.00 0.00 61.69 60.12 1zhn s THR 71 Cb -0.04 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1zhn s THR 71 CO 0.04 -0.52 1.26 -2.16 -0.69 0.00 0.00 174.62 172.55 1zhn s PRO 72 N 1.34 3.46 0.36 4.92 0.04 -1.26 -4.78 135.00 139.07 1zhn s PRO 72 Ca 0.03 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1zhn s PRO 72 Cb -0.23 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1zhn s PRO 72 CO 0.00 -0.86 0.16 0.99 0.04 0.00 0.00 177.00 177.33 1zhn s THR 73 N -1.42 0.43 0.23 1.26 2.01 -1.26 -2.18 115.64 114.71 1zhn s THR 73 Ca 0.67 -2.00 -0.07 0.00 0.31 0.00 0.00 61.69 60.61 1zhn s THR 73 Cb -0.34 -2.45 0.20 0.00 0.01 0.00 0.00 72.50 69.92 1zhn s THR 73 CO 0.41 0.00 1.87 -0.33 -0.69 0.00 0.00 174.62 175.88 1zhn h GLU 74 N 2.01 0.99 0.00 4.92 5.08 -1.99 -3.38 114.58 122.21 1zhn h GLU 74 Ca -0.33 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 57.70 1zhn h GLU 74 Cb 1.26 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1zhn h GLU 74 CO 0.52 0.65 -2.02 0.25 -1.00 0.00 0.00 179.01 177.41 1zhn n THR 75 N -4.58 1.03 -1.89 1.13 -2.24 -1.26 -4.92 114.28 101.54 1zhn n THR 75 Ca 0.11 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1zhn n THR 75 Cb 0.12 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1zhn n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1zhn s ASP 76 N -5.27 6.43 -0.03 3.42 1.01 -1.26 -5.00 116.67 115.97 1zhn s ASP 76 Ca -0.16 2.22 -0.03 0.00 0.71 0.00 0.00 52.55 55.29 1zhn s ASP 76 Cb 0.05 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1zhn s ASP 76 CO 0.51 -1.13 0.15 0.42 0.21 0.00 0.00 175.17 175.33 1zhn s THR 77 N 4.80 5.26 0.08 -1.27 -4.23 -1.26 -4.53 115.64 114.49 1zhn s THR 77 Ca 0.80 -0.15 0.09 0.00 -1.18 0.00 0.00 61.69 61.25 1zhn s THR 77 Cb -0.34 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1zhn s THR 77 CO 0.33 0.39 -0.24 -0.31 -0.54 0.00 0.00 174.62 174.25 1zhn s TYR 78 N -1.23 2.07 0.35 3.99 2.02 -1.26 -0.41 117.35 122.88 1zhn s TYR 78 Ca 0.24 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1zhn s TYR 78 Cb -0.12 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1zhn s TYR 78 CO 0.15 0.19 0.51 0.00 -1.57 0.00 0.00 175.55 174.84 1zhn n ALA 79 N 1.40 -0.48 -3.69 3.71 0.00 -0.22 0.42 120.51 121.65 1zhn n ALA 79 Ca -0.18 -1.57 -0.25 0.00 0.00 0.00 0.00 53.44 51.44 1zhn n ALA 79 Cb 0.53 1.27 -0.17 0.00 0.00 0.00 0.00 19.45 21.07 1zhn n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zhn s ARG 81 N 2.02 3.65 -0.08 0.00 3.52 0.45 -1.94 118.95 126.56 1zhn s ARG 81 Ca 0.02 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1zhn s ARG 81 Cb -0.15 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1zhn s ARG 81 CO -0.07 0.54 -0.19 0.08 -0.81 0.00 0.00 175.30 174.85 1zhn s VAL 82 N -0.36 1.64 -0.16 7.11 1.01 0.52 -0.00 120.40 130.15 1zhn s VAL 82 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1zhn s VAL 82 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1zhn s VAL 82 CO 0.01 0.47 0.11 -0.54 0.00 0.00 0.00 175.10 175.16 1zhn s LYS 83 N 0.46 3.81 -0.29 2.72 1.02 0.82 -2.35 119.74 125.93 1zhn s LYS 83 Ca -0.16 -0.22 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1zhn s LYS 83 Cb -0.17 -3.26 0.14 0.00 -0.52 0.00 0.00 37.83 34.02 1zhn s LYS 83 CO 0.06 0.49 1.00 -1.58 -0.92 0.00 0.00 175.35 174.41 1zhn s HIS 84 N -0.22 -0.53 0.55 3.18 2.46 -1.26 -2.68 115.29 116.79 1zhn s HIS 84 Ca 0.10 1.10 0.39 0.00 0.47 0.00 0.00 55.06 57.12 1zhn s HIS 84 Cb -0.12 0.35 1.57 0.00 -0.13 0.00 0.00 32.58 34.25 1zhn s HIS 84 CO 0.01 -0.26 1.76 -0.44 -2.47 0.00 0.00 174.74 173.34 1zhn h ASP 85 N 5.59 0.00 0.00 9.88 3.32 -1.95 -0.76 116.42 132.50 1zhn h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1zhn h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1zhn h ASP 85 CO 0.18 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.16 1zhn n SER 86 N -4.11 0.00 -3.68 6.45 3.41 -1.26 -4.73 113.62 109.70 1zhn n SER 86 Ca 0.28 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.56 1zhn n SER 86 Cb 1.37 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 65.21 1zhn n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1zhn s MET 87 N -2.00 0.31 0.06 4.33 -1.94 -0.29 -4.84 119.30 114.93 1zhn s MET 87 Ca 0.08 0.85 -0.35 0.00 -1.71 0.00 0.00 55.69 54.57 1zhn s MET 87 Cb 0.04 0.10 -0.19 0.00 2.01 0.00 0.00 34.83 36.79 1zhn s MET 87 CO 0.06 -0.21 1.52 0.00 -0.01 0.00 0.00 175.02 176.38 1zhn h ALA 88 N 7.70 -1.33 -2.70 3.03 0.00 -1.85 -3.43 119.26 120.69 1zhn h ALA 88 Ca -0.26 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 1zhn h ALA 88 Cb 1.14 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1zhn h ALA 88 CO 0.21 -1.24 -0.31 -1.21 0.00 0.00 0.00 179.25 176.71 1zhn s GLU 89 N -5.73 3.66 0.38 0.00 0.41 -1.26 -5.04 118.70 111.11 1zhn s GLU 89 Ca -0.18 0.01 -0.25 0.00 -0.41 0.00 0.00 54.97 54.13 1zhn s GLU 89 Cb 0.02 -2.96 -0.12 0.00 -1.78 0.00 0.00 34.13 29.29 1zhn s GLU 89 CO 0.55 0.54 0.98 -2.30 -0.49 0.00 0.00 175.26 174.54 1zhn n PRO 90 N 0.63 1.31 -3.55 0.39 -0.02 -1.26 -4.94 135.00 127.55 1zhn n PRO 90 Ca -0.06 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1zhn n PRO 90 Cb 0.52 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1zhn n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zhn s LYS 91 N -1.83 3.74 -0.04 -0.52 2.20 -0.99 -4.90 119.74 117.40 1zhn s LYS 91 Ca 0.61 0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1zhn s LYS 91 Cb -0.61 -2.85 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1zhn s LYS 91 CO 0.58 0.46 0.01 0.99 -0.36 0.00 0.00 175.35 177.03 1zhn s THR 92 N -1.60 0.16 -0.14 3.43 2.01 -1.26 -0.36 115.64 117.88 1zhn s THR 92 Ca 0.40 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1zhn s THR 92 Cb -0.13 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.11 1zhn s THR 92 CO 0.21 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.46 1zhn s VAL 93 N 1.40 1.67 0.02 3.82 1.01 -0.82 -4.94 120.40 122.57 1zhn s VAL 93 Ca -0.04 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1zhn s VAL 93 Cb -0.13 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1zhn s VAL 93 CO -0.03 0.48 0.74 -0.31 0.00 0.00 0.00 175.10 175.98 1zhn s TYR 94 N 1.30 3.70 0.35 5.22 2.02 -1.26 -1.80 117.35 126.87 1zhn s TYR 94 Ca 0.02 1.41 -0.28 0.00 -0.37 0.00 0.00 57.07 57.84 1zhn s TYR 94 Cb -0.13 -2.79 -0.12 0.00 -0.40 0.00 0.00 41.96 38.51 1zhn s TYR 94 CO -0.08 0.25 1.32 1.87 -1.57 0.00 0.00 175.55 177.33 1zhn n TRP 95 N 2.95 2.38 -3.49 2.71 -0.00 0.17 -4.95 117.44 117.21 1zhn n TRP 95 Ca -0.03 0.54 -0.24 0.00 -0.00 0.00 0.00 57.50 57.77 1zhn n TRP 95 Cb 0.50 -2.43 -0.13 0.00 -0.00 0.00 0.00 31.31 29.26 1zhn n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1zhn s ASP 96 N -0.29 2.83 0.32 5.87 -1.08 -1.26 -4.70 116.67 118.35 1zhn s ASP 96 Ca 0.55 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.55 1zhn s ASP 96 Cb -0.55 -0.02 0.74 0.00 -1.46 0.00 0.00 42.92 41.63 1zhn s ASP 96 CO 0.62 -0.42 1.81 0.08 0.52 0.00 0.00 175.17 177.78 1zhn h ARG 97 N 8.34 0.75 0.00 4.34 0.11 -1.94 0.19 114.38 126.18 1zhn h ARG 97 Ca -0.17 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1zhn h ARG 97 Cb 1.03 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.94 1zhn h ARG 97 CO 0.40 0.50 0.00 -0.44 0.10 0.00 0.00 179.97 180.53 1zhn h ASP 98 N 0.77 0.00 -0.02 0.08 3.32 -2.02 -3.49 116.42 115.06 1zhn h ASP 98 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1zhn h ASP 98 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1zhn h ASP 98 CO -0.32 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.43