#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9q s LYS 2 N 0.00 2.72 0.68 0.03 3.01 -1.26 -4.98 119.74 119.94 1t9q s LYS 2 Ca 0.00 -0.60 -0.17 0.00 -1.01 0.00 0.00 55.97 54.19 1t9q s LYS 2 Cb 0.00 -2.60 -0.02 0.00 -1.01 0.00 0.00 37.83 34.20 1t9q s LYS 2 CO 0.00 0.64 0.91 1.63 0.51 0.00 0.00 175.35 179.04 1t9q n LYS 3 N 1.83 0.60 -4.39 1.68 5.02 -1.26 -4.61 118.16 117.03 1t9q n LYS 3 Ca -0.17 0.26 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 1t9q n LYS 3 Cb 0.53 -2.15 -0.13 0.00 -0.02 0.00 0.00 35.03 33.25 1t9q n LYS 3 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1t9q s TYR 4 N -1.73 1.93 0.07 2.13 1.51 -0.90 -0.55 117.35 119.81 1t9q s TYR 4 Ca 0.74 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.46 1t9q s TYR 4 Cb -0.37 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1t9q s TYR 4 CO 0.50 0.21 -0.19 0.99 -1.11 0.00 0.00 175.55 175.95 1t9q s THR 5 N -1.07 1.51 -0.12 -0.71 2.01 -0.07 -0.60 115.64 116.60 1t9q s THR 5 Ca 0.08 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.49 1t9q s THR 5 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1t9q s THR 5 CO 0.04 0.01 1.57 0.00 -0.69 0.00 0.00 174.62 175.56 1t9q n THR 7 N 5.69 0.00 0.08 0.00 -2.24 0.74 -0.69 114.28 117.86 1t9q n THR 7 Ca 0.17 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1t9q n THR 7 Cb 0.44 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1t9q n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1t9q n VAL 8 N -1.07 0.50 -0.11 2.28 0.31 -1.26 -4.76 118.33 114.22 1t9q n VAL 8 Ca 0.12 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1t9q n VAL 8 Cb 0.30 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1t9q n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t9q n GLY 10 N 0.00 3.23 3.73 0.00 0.00 0.13 -5.02 105.19 107.26 1t9q n GLY 10 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.39 1t9q n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1t9q n TYR 11 N -1.08 1.88 -3.50 1.61 9.36 -1.26 -4.65 117.16 119.52 1t9q n TYR 11 Ca 0.00 0.88 -0.41 0.00 3.32 0.00 0.00 57.90 61.69 1t9q n TYR 11 Cb 0.00 -2.33 -0.10 0.00 -0.63 0.00 0.00 39.34 36.28 1t9q n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1t9q s ILE 12 N 3.32 5.26 -0.11 2.97 1.09 -1.26 -0.85 121.20 131.63 1t9q s ILE 12 Ca 1.03 -0.21 -0.29 0.00 -1.10 0.00 0.00 60.65 60.07 1t9q s ILE 12 Cb -1.31 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 36.30 1t9q s ILE 12 CO 0.75 -0.05 1.43 -0.47 -0.10 0.00 0.00 174.94 176.50 1t9q s TYR 13 N 1.77 2.49 -0.23 3.97 5.04 0.23 -4.95 117.35 125.66 1t9q s TYR 13 Ca 0.07 0.66 -0.03 0.00 -2.44 0.00 0.00 57.07 55.33 1t9q s TYR 13 Cb -0.17 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.46 1t9q s TYR 13 CO 0.11 -2.63 -0.04 1.21 -1.34 0.00 0.00 175.55 172.85 1t9q s ASN 14 N 2.53 4.32 0.53 4.32 3.04 -1.26 -2.12 114.94 126.30 1t9q s ASN 14 Ca 0.63 -0.58 0.30 0.00 0.04 0.00 0.00 52.86 53.26 1t9q s ASN 14 Cb -0.27 -1.72 1.48 0.00 -1.54 0.00 0.00 41.25 39.20 1t9q s ASN 14 CO 0.22 -0.07 2.06 1.55 -3.04 0.00 0.00 177.10 177.81 1t9q h PRO 15 N 8.09 0.00 -0.40 0.43 0.13 -1.83 -1.00 132.00 137.42 1t9q h PRO 15 Ca -0.38 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1t9q h PRO 15 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1t9q h PRO 15 CO 0.60 0.10 -0.08 1.49 -0.23 0.00 0.00 178.00 179.88 1t9q h GLU 16 N 0.00 0.68 -0.01 0.86 4.81 -1.92 0.46 114.58 119.46 1t9q h GLU 16 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1t9q h GLU 16 Cb 0.39 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1t9q h GLU 16 CO 0.01 0.75 -0.81 -0.25 -0.73 0.00 0.00 179.01 177.98 1t9q n ASP 17 N -4.20 1.36 0.00 1.04 9.92 -0.45 -4.01 116.55 120.22 1t9q n ASP 17 Ca 0.01 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1t9q n ASP 17 Cb 0.33 0.82 0.00 0.00 -0.64 0.00 0.00 41.12 41.62 1t9q n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t9q n GLY 18 N 1.47 0.50 2.56 0.44 0.00 -0.79 -4.29 105.19 105.08 1t9q n GLY 18 Ca 0.06 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1t9q n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t9q n ASP 19 N -3.15 1.01 0.25 1.61 2.03 -0.04 -4.64 116.55 113.60 1t9q n ASP 19 Ca 0.00 -2.74 0.10 0.00 0.52 0.00 0.00 54.79 52.66 1t9q n ASP 19 Cb 0.00 -0.64 0.64 0.00 -0.72 0.00 0.00 41.12 40.40 1t9q n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1t9q h PRO 20 N 5.38 0.00 0.00 -0.67 0.13 -1.63 -1.76 132.00 133.45 1t9q h PRO 20 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1t9q h PRO 20 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1t9q h PRO 20 CO 0.52 0.15 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 1t9q h ASP 21 N 0.00 0.00 0.00 1.44 3.45 -1.96 -2.86 116.42 116.50 1t9q h ASP 21 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1t9q h ASP 21 Cb 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1t9q h ASP 21 CO 0.02 0.00 -0.01 0.59 -1.57 0.00 0.00 179.24 178.27 1t9q n ASN 22 N -2.34 2.15 0.00 6.45 5.03 -0.93 -4.98 115.26 120.65 1t9q n ASN 22 Ca 0.02 -2.59 0.00 0.00 0.87 0.00 0.00 54.58 52.88 1t9q n ASN 22 Cb 0.22 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1t9q n ASN 22 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1t9q n GLY 23 N -1.00 0.53 3.36 7.41 0.00 -1.08 -5.03 105.19 109.37 1t9q n GLY 23 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1t9q n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t9q s VAL 24 N -2.01 4.65 0.80 1.61 1.01 -0.71 -4.97 120.40 120.79 1t9q s VAL 24 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1t9q s VAL 24 Cb 0.00 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1t9q s VAL 24 CO 0.00 -0.38 1.11 0.20 0.00 0.00 0.00 175.10 176.03 1t9q s ASN 25 N 1.90 4.54 0.23 3.32 -0.87 -1.26 -0.86 114.94 121.94 1t9q s ASN 25 Ca 0.03 1.16 -0.31 0.00 -1.57 0.00 0.00 52.86 52.17 1t9q s ASN 25 Cb -0.21 -1.86 -0.14 0.00 -0.02 0.00 0.00 41.25 39.02 1t9q s ASN 25 CO 0.06 -1.92 1.34 -2.65 -2.57 0.00 0.00 177.10 171.35 1t9q n PRO 26 N -3.38 1.82 -0.00 -0.60 -0.02 -1.26 -3.07 135.00 128.48 1t9q n PRO 26 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1t9q n PRO 26 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1t9q n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t9q n GLY 27 N 2.04 0.16 3.56 -1.23 0.00 0.16 -4.82 105.19 105.06 1t9q n GLY 27 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1t9q n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t9q s THR 28 N -2.00 3.73 0.06 2.61 2.01 -1.18 -4.95 115.64 115.93 1t9q s THR 28 Ca 0.00 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 1t9q s THR 28 Cb 0.00 -4.62 -0.16 0.00 0.01 0.00 0.00 72.50 67.73 1t9q s THR 28 CO 0.00 -1.46 0.73 -0.67 -0.69 0.00 0.00 174.62 172.54 1t9q n ASP 29 N 9.74 -0.41 -0.17 3.53 -0.08 -1.26 -4.67 116.55 123.24 1t9q n ASP 29 Ca 0.09 0.98 0.20 0.00 -1.51 0.00 0.00 54.79 54.55 1t9q n ASP 29 Cb 0.49 -0.79 0.58 0.00 2.34 0.00 0.00 41.12 43.74 1t9q n ASP 29 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1t9q h PHE 30 N 1.91 0.33 0.00 -0.67 3.57 -1.94 0.51 116.94 120.65 1t9q h PHE 30 Ca -0.36 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1t9q h PHE 30 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1t9q h PHE 30 CO 0.44 0.10 0.00 0.36 -2.23 0.00 0.00 178.31 176.98 1t9q n LYS 31 N -4.43 0.02 0.01 1.11 2.85 -1.26 -1.95 118.16 114.51 1t9q n LYS 31 Ca 0.16 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.60 1t9q n LYS 31 Cb 0.69 -1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 33.46 1t9q n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t9q n ASP 32 N -1.57 0.50 -4.74 -5.58 10.43 0.16 -4.92 116.55 110.82 1t9q n ASP 32 Ca 0.06 -0.29 -0.42 0.00 2.57 0.00 0.00 54.79 56.72 1t9q n ASP 32 Cb 0.31 1.26 -0.02 0.00 1.84 0.00 0.00 41.12 44.51 1t9q n ASP 32 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1t9q s ILE 33 N -3.28 2.27 0.10 0.53 1.01 -0.82 -4.95 121.20 116.06 1t9q s ILE 33 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 1t9q s ILE 33 Cb 0.14 -3.14 -0.16 0.00 0.01 0.00 0.00 42.46 39.31 1t9q s ILE 33 CO 0.86 0.03 1.39 -2.65 0.00 0.00 0.00 174.94 174.57 1t9q n PRO 34 N 2.70 1.38 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.75 1t9q n PRO 34 Ca 0.10 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1t9q n PRO 34 Cb 0.38 -2.17 0.59 0.00 -0.02 0.00 0.00 33.50 32.29 1t9q n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1t9q n ASP 35 N 2.72 0.00 -0.60 2.55 8.00 -1.26 0.23 116.55 128.19 1t9q n ASP 35 Ca 0.18 -0.72 0.09 0.00 0.71 0.00 0.00 54.79 55.05 1t9q n ASP 35 Cb 0.21 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1t9q n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t9q n ASP 36 N -0.96 2.20 -4.77 -2.24 3.85 -1.26 -4.69 116.55 108.67 1t9q n ASP 36 Ca 0.15 -1.60 -0.41 0.00 -0.71 0.00 0.00 54.79 52.22 1t9q n ASP 36 Cb 0.07 0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 1t9q n ASP 36 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1t9q s TRP 37 N -1.79 2.75 0.17 2.11 -0.00 0.14 -5.03 118.94 117.28 1t9q s TRP 37 Ca 0.19 1.19 0.09 0.00 -0.00 0.00 0.00 56.10 57.57 1t9q s TRP 37 Cb 0.15 -3.92 -0.04 0.00 -0.00 0.00 0.00 33.47 29.66 1t9q s TRP 37 CO 0.33 -2.72 -0.10 0.14 -0.00 0.00 0.00 176.95 174.61 1t9q s VAL 38 N -0.97 3.20 -0.06 5.86 -7.23 -1.26 -3.84 120.40 116.09 1t9q s VAL 38 Ca 0.53 -1.60 -0.36 0.00 -1.81 0.00 0.00 61.98 58.74 1t9q s VAL 38 Cb -0.45 -2.57 -0.14 0.00 0.56 0.00 0.00 36.38 33.79 1t9q s VAL 38 CO 0.58 -0.07 1.71 0.00 -0.31 0.00 0.00 175.10 177.01 1t9q h PRO 40 N 7.42 0.00 0.00 0.00 0.11 -1.98 0.25 132.00 137.80 1t9q h PRO 40 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1t9q h PRO 40 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1t9q h PRO 40 CO 0.92 0.12 -0.86 1.25 -0.21 0.00 0.00 178.00 179.21 1t9q h LEU 41 N 0.00 0.00 0.00 2.35 5.85 -1.97 -3.42 115.31 118.12 1t9q h LEU 41 Ca -0.00 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1t9q h LEU 41 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1t9q h LEU 41 CO 0.01 1.23 -0.95 0.00 -0.34 0.00 0.00 178.44 178.39 1t9q n GLY 43 N 1.46 0.62 3.93 0.00 0.00 0.87 -4.98 105.19 107.09 1t9q n GLY 43 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1t9q n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t9q s LEU 44 N 0.00 3.29 0.00 0.99 1.43 -1.26 -4.74 118.68 118.39 1t9q s LEU 44 Ca 0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1t9q s LEU 44 Cb 0.00 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.89 1t9q s LEU 44 CO 0.00 -1.03 0.33 0.61 0.23 0.00 0.00 176.35 176.49 1t9q n GLY 45 N -2.48 1.74 0.29 -3.19 0.00 -1.26 0.86 105.19 101.16 1t9q n GLY 45 Ca 0.04 -2.14 0.20 0.00 0.00 0.00 0.00 46.02 44.12 1t9q n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t9q h LYS 46 N 0.00 0.00 -0.00 1.61 1.57 -1.84 -2.21 116.57 115.70 1t9q h LYS 46 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1t9q h LYS 46 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1t9q h LYS 46 CO 0.15 0.00 -0.20 -0.25 -0.57 0.00 0.00 179.45 178.58 1t9q n ASP 47 N -2.88 0.22 -0.50 0.86 9.92 -1.26 -1.59 116.55 121.31 1t9q n ASP 47 Ca -0.03 0.16 0.10 0.00 -0.53 0.00 0.00 54.79 54.50 1t9q n ASP 47 Cb 0.07 -0.19 0.38 0.00 -0.64 0.00 0.00 41.12 40.74 1t9q n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t9q n GLN 48 N -1.48 1.66 -3.29 -1.24 1.13 -0.83 -4.92 117.38 108.41 1t9q n GLN 48 Ca 0.07 -1.00 -0.34 0.00 -1.94 0.00 0.00 57.00 53.79 1t9q n GLN 48 Cb 0.34 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 29.25 1t9q n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1t9q s PHE 49 N -1.80 3.53 0.04 1.08 0.40 -0.62 -0.18 117.98 120.43 1t9q s PHE 49 Ca 0.31 1.09 0.04 0.00 -0.60 0.00 0.00 56.93 57.78 1t9q s PHE 49 Cb 0.17 -2.41 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1t9q s PHE 49 CO 0.25 0.32 -0.13 -1.83 0.70 0.00 0.00 175.22 174.54 1t9q s GLU 50 N -2.32 0.84 0.15 0.44 -1.05 -0.13 -4.92 118.70 111.71 1t9q s GLU 50 Ca 0.43 -0.76 -0.33 0.00 -0.15 0.00 0.00 54.97 54.17 1t9q s GLU 50 Cb -0.14 -0.82 -0.17 0.00 -0.44 0.00 0.00 34.13 32.56 1t9q s GLU 50 CO 0.20 0.20 0.99 -1.91 0.95 0.00 0.00 175.26 175.68 1t9q n GLU 51 N 1.81 0.66 -3.67 -4.83 2.13 -1.26 -0.89 120.64 114.59 1t9q n GLU 51 Ca -0.19 0.23 -0.37 0.00 0.66 0.00 0.00 57.16 57.50 1t9q n GLU 51 Cb 0.55 -1.61 -0.06 0.00 0.27 0.00 0.00 31.44 30.59 1t9q n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1t9q s VAL 52 N -0.38 5.22 0.00 6.31 1.01 0.28 -4.79 120.40 128.05 1t9q s VAL 52 Ca 0.74 0.48 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1t9q s VAL 52 Cb -0.95 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1t9q s VAL 52 CO 0.55 0.51 0.39 -0.62 0.00 0.00 0.00 175.10 175.92