#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9t s THR 8 N 0.00 0.00 0.38 12.58 -4.23 0.12 -4.96 115.64 119.54 1c9t s THR 8 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 1c9t s THR 8 Cb 0.00 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.75 1c9t s THR 8 CO 0.00 0.00 1.31 -2.16 -0.54 0.00 0.00 174.62 173.23 1c9t s PRO 9 N 0.02 4.10 -0.22 3.99 0.04 -1.26 -0.16 135.00 141.50 1c9t s PRO 9 Ca 0.08 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 1c9t s PRO 9 Cb -0.05 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.75 1c9t s PRO 9 CO -0.17 -0.39 0.36 0.00 0.04 0.00 0.00 177.00 176.84 1c9t n GLY 11 N 5.36 3.15 0.01 0.00 0.00 -1.25 -0.36 105.19 112.11 1c9t n GLY 11 Ca -0.05 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1c9t n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1c9t n PRO 12 N 14.00 0.16 -3.29 1.61 -0.04 -1.26 -4.89 135.00 141.29 1c9t n PRO 12 Ca 0.00 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1c9t n PRO 12 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1c9t n PRO 12 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1c9t n VAL 13 N -1.41 0.00 -3.64 0.52 0.24 0.52 -5.15 118.33 109.41 1c9t n VAL 13 Ca 0.09 -1.18 -0.19 0.00 -2.04 0.00 0.00 64.34 61.02 1c9t n VAL 13 Cb 0.31 0.21 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 1c9t n VAL 13 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1c9t s THR 14 N -1.88 -0.20 0.07 3.34 -4.23 -1.26 -0.58 115.64 110.90 1c9t s THR 14 Ca 0.01 0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 60.44 1c9t s THR 14 Cb -0.00 -0.35 -0.06 0.00 1.34 0.00 0.00 72.50 73.43 1c9t s THR 14 CO 0.00 0.04 1.24 0.00 -0.54 0.00 0.00 174.62 175.36 1c9t s SER 16 N 1.09 5.18 0.00 0.00 0.15 -1.26 -0.70 113.70 118.16 1c9t s SER 16 Ca 0.60 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1c9t s SER 16 Cb -0.31 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1c9t s SER 16 CO 0.29 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1c9t n GLY 17 N -1.57 0.14 0.86 9.45 0.00 -1.26 -0.53 105.19 112.28 1c9t n GLY 17 Ca 0.03 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1c9t n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t n ALA 18 N 0.96 2.83 -2.65 4.61 0.00 -1.26 -1.74 120.51 123.26 1c9t n ALA 18 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 1c9t n ALA 18 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1c9t n ALA 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1c9t s GLN 19 N -1.66 3.75 -0.11 0.00 -0.21 0.31 -4.43 119.66 117.31 1c9t s GLN 19 Ca 0.20 0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.74 1c9t s GLN 19 Cb 0.14 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1c9t s GLN 19 CO 0.08 0.71 0.04 1.41 -2.12 0.00 0.00 175.29 175.42 1c9t s MET 20 N -1.01 3.24 -0.12 2.91 -2.45 0.12 -2.72 119.30 119.27 1c9t s MET 20 Ca 0.20 -0.33 -0.26 0.00 -1.25 0.00 0.00 55.69 54.05 1c9t s MET 20 Cb -0.15 -2.95 -0.02 0.00 1.25 0.00 0.00 34.83 32.96 1c9t s MET 20 CO 0.09 0.66 0.83 0.00 1.05 0.00 0.00 175.02 177.65 1c9t s GLU 22 N 1.70 2.60 0.00 0.00 2.56 0.24 -4.95 118.70 120.85 1c9t s GLU 22 Ca 0.40 -2.71 0.00 0.00 0.00 0.00 0.00 54.97 52.66 1c9t s GLU 22 Cb -0.17 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.26 1c9t s GLU 22 CO 0.16 -1.19 0.00 0.28 -0.56 0.00 0.00 175.26 173.95 1c9t n VAL 23 N 3.16 0.00 -0.07 3.70 0.31 -1.26 -1.02 118.33 123.15 1c9t n VAL 23 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1c9t n VAL 23 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1c9t n VAL 23 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1c9t n ASP 24 N 0.35 0.29 -4.27 4.52 5.75 -1.26 -3.78 116.55 118.14 1c9t n ASP 24 Ca 0.00 -0.61 -0.23 0.00 -0.01 0.00 0.00 54.79 53.94 1c9t n ASP 24 Cb 0.00 0.52 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 1c9t n ASP 24 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1c9t s LYS 25 N -0.52 1.10 -0.26 0.11 -0.14 -0.19 -4.23 119.74 115.61 1c9t s LYS 25 Ca 0.00 -1.17 -0.11 0.00 -1.36 0.00 0.00 55.97 53.33 1c9t s LYS 25 Cb 0.00 -1.28 -0.05 0.00 -1.68 0.00 0.00 37.83 34.82 1c9t s LYS 25 CO 0.00 0.29 0.17 0.00 -0.76 0.00 0.00 175.35 175.05 1c9t s VAL 27 N 1.35 1.71 0.52 0.00 -7.23 0.43 -4.91 120.40 112.27 1c9t s VAL 27 Ca 0.07 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1c9t s VAL 27 Cb -0.15 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.06 1c9t s VAL 27 CO 0.07 -0.11 0.77 0.00 -0.31 0.00 0.00 175.10 175.53 1c9t s SER 29 N -4.29 3.07 0.00 0.00 0.01 -1.26 -4.83 113.70 106.40 1c9t s SER 29 Ca 0.52 -0.96 0.20 0.00 1.31 0.00 0.00 55.95 57.02 1c9t s SER 29 Cb -0.10 -0.21 0.46 0.00 0.21 0.00 0.00 66.02 66.38 1c9t s SER 29 CO 0.40 -0.02 1.39 0.47 0.41 0.00 0.00 173.24 175.89 1c9t n ASP 30 N -0.19 3.47 -4.67 2.44 8.00 -1.26 -4.76 116.55 119.57 1c9t n ASP 30 Ca -0.09 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.02 1c9t n ASP 30 Cb 0.59 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1c9t n ASP 30 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1c9t s LEU 31 N -1.21 4.31 -0.01 0.64 2.96 -1.26 -5.00 118.68 119.11 1c9t s LEU 31 Ca 0.38 2.19 -0.16 0.00 -0.22 0.00 0.00 54.13 56.32 1c9t s LEU 31 Cb 0.21 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.39 1c9t s LEU 31 CO 0.29 -0.86 0.34 -1.00 -1.32 0.00 0.00 176.35 173.79 1c9t s HIS 32 N 3.46 -0.21 0.67 5.38 3.76 -1.26 -4.30 115.29 122.79 1c9t s HIS 32 Ca 0.70 0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 55.79 1c9t s HIS 32 Cb -0.33 0.12 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 1c9t s HIS 32 CO 0.28 -0.42 1.07 0.00 -0.85 0.00 0.00 174.74 174.82 1c9t n LYS 34 N -2.92 3.36 -2.00 0.00 5.02 -1.26 -4.95 118.16 115.40 1c9t n LYS 34 Ca 0.07 -3.45 -0.21 0.00 -2.02 0.00 0.00 58.31 52.70 1c9t n LYS 34 Cb 0.56 -2.31 0.12 0.00 -0.02 0.00 0.00 35.03 33.37 1c9t n LYS 34 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1c9t n VAL 35 N 0.10 0.00 -3.90 -0.18 0.24 -1.26 -5.06 118.33 108.27 1c9t n VAL 35 Ca 0.52 -1.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 1c9t n VAL 35 Cb 0.32 -1.18 -0.14 0.00 -1.47 0.00 0.00 33.84 31.36 1c9t n VAL 35 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1c9t s LYS 36 N -4.86 1.73 0.11 7.34 2.20 -1.26 -5.09 119.74 119.91 1c9t s LYS 36 Ca 0.57 -2.35 -0.31 0.00 -0.36 0.00 0.00 55.97 53.51 1c9t s LYS 36 Cb -0.03 -3.05 -0.08 0.00 -1.51 0.00 0.00 37.83 33.16 1c9t s LYS 36 CO 0.38 -1.10 1.39 0.00 -0.36 0.00 0.00 175.35 175.67 1c9t h GLU 38 N 6.85 0.60 -0.44 0.00 4.81 -1.98 -2.88 114.58 121.53 1c9t h GLU 38 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1c9t h GLU 38 Cb 1.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1c9t h GLU 38 CO 0.87 0.40 0.00 0.72 -0.73 0.00 0.00 179.01 180.26 1c9t n HIS 39 N -4.80 1.04 0.00 0.92 8.25 -1.26 -5.06 115.22 114.31 1c9t n HIS 39 Ca 0.04 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1c9t n HIS 39 Cb 0.09 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1c9t n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c9t n GLY 40 N 0.44 -0.50 3.76 -1.41 0.00 -1.09 -4.67 105.19 101.72 1c9t n GLY 40 Ca 0.20 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1c9t n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c9t s PHE 41 N -1.31 3.62 0.19 1.61 0.40 -1.26 0.11 117.98 121.34 1c9t s PHE 41 Ca 0.00 1.74 -0.31 0.00 -0.60 0.00 0.00 56.93 57.77 1c9t s PHE 41 Cb 0.00 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.27 1c9t s PHE 41 CO 0.00 -0.29 1.45 0.21 0.70 0.00 0.00 175.22 177.29 1c9t s LYS 42 N -1.63 4.28 -0.09 0.44 2.20 0.51 -4.41 119.74 121.03 1c9t s LYS 42 Ca 0.47 2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 58.31 1c9t s LYS 42 Cb -0.28 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1c9t s LYS 42 CO 0.35 -0.46 -0.04 0.15 -0.36 0.00 0.00 175.35 175.00 1c9t s LYS 43 N 0.41 3.03 0.88 4.03 1.02 -1.26 0.70 119.74 128.54 1c9t s LYS 43 Ca 0.63 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.99 1c9t s LYS 43 Cb -0.41 -2.72 0.13 0.00 -0.52 0.00 0.00 37.83 34.31 1c9t s LYS 43 CO 0.36 0.58 1.23 0.16 -0.92 0.00 0.00 175.35 176.77 1c9t s ASP 44 N -0.57 3.90 0.53 2.83 3.84 0.89 -4.89 116.67 123.19 1c9t s ASP 44 Ca 0.09 0.60 0.36 0.00 -0.00 0.00 0.00 52.55 53.59 1c9t s ASP 44 Cb -0.12 -0.92 1.94 0.00 -1.38 0.00 0.00 42.92 42.44 1c9t s ASP 44 CO 0.02 -2.27 2.09 0.44 -0.00 0.00 0.00 175.17 175.45 1c9t h ASP 45 N -1.32 0.00 0.33 2.11 3.32 -2.00 0.69 116.42 119.56 1c9t h ASP 45 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1c9t h ASP 45 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1c9t h ASP 45 CO 0.55 0.00 -0.36 0.59 -1.72 0.00 0.00 179.24 178.30 1c9t n ASN 46 N -2.76 0.83 0.00 6.45 4.13 -1.26 -4.95 115.26 117.70 1c9t n ASN 46 Ca -0.02 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1c9t n ASN 46 Cb 0.06 0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1c9t n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c9t n GLY 47 N 1.40 2.57 3.78 7.41 0.00 0.24 -5.07 105.19 115.51 1c9t n GLY 47 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1c9t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c9t s GLU 49 N -4.31 3.22 0.31 0.00 2.02 -1.26 -0.08 118.70 118.60 1c9t s GLU 49 Ca 0.65 -0.27 -0.28 0.00 0.02 0.00 0.00 54.97 55.09 1c9t s GLU 49 Cb -0.19 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.95 1c9t s GLU 49 CO 0.44 0.74 1.09 0.71 0.02 0.00 0.00 175.26 178.26 1c9t s TYR 50 N -0.97 3.50 0.16 1.61 1.51 0.22 -4.78 117.35 118.59 1c9t s TYR 50 Ca 0.15 1.69 -0.31 0.00 -1.01 0.00 0.00 57.07 57.58 1c9t s TYR 50 Cb -0.12 -3.24 -0.07 0.00 -0.11 0.00 0.00 41.96 38.42 1c9t s TYR 50 CO 0.04 -0.57 1.54 0.00 -1.11 0.00 0.00 175.55 175.45 1c9t h ALA 51 N 3.47 -0.58 -2.01 3.71 0.00 -1.90 -3.32 119.26 118.63 1c9t h ALA 51 Ca -0.47 0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.00 1c9t h ALA 51 Cb 1.21 1.33 -0.39 0.00 0.00 0.00 0.00 17.79 19.94 1c9t h ALA 51 CO 0.66 -0.98 -1.12 0.00 0.00 0.00 0.00 179.25 177.81 1c9t s ILE 53 N -1.68 -0.15 0.20 0.00 1.01 -1.25 -5.02 121.20 114.31 1c9t s ILE 53 Ca 0.37 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.09 1c9t s ILE 53 Cb 0.23 -0.46 -0.07 0.00 0.01 0.00 0.00 42.46 42.17 1c9t s ILE 53 CO -0.10 0.07 0.52 0.00 0.00 0.00 0.00 174.94 175.43 1c9t s ALA 55 N -1.74 3.33 -0.95 0.00 0.00 0.12 -4.37 121.76 118.14 1c9t s ALA 55 Ca 0.45 0.62 0.27 0.00 0.00 0.00 0.00 51.96 53.30 1c9t s ALA 55 Cb -0.12 -3.21 1.11 0.00 0.00 0.00 0.00 23.12 20.90 1c9t s ALA 55 CO 0.21 0.19 1.86 -0.25 0.00 0.00 0.00 175.76 177.77 1c9t n ASP 56 N 1.37 0.14 -3.58 0.00 8.00 -1.26 -4.31 116.55 116.92 1c9t n ASP 56 Ca -0.02 0.52 -0.16 0.00 0.71 0.00 0.00 54.79 55.84 1c9t n ASP 56 Cb 0.47 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1c9t n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9t s ALA 57 N -3.02 -1.44 0.35 2.24 0.00 -1.26 -5.02 121.76 113.60 1c9t s ALA 57 Ca 0.13 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 1c9t s ALA 57 Cb 0.17 0.14 -0.12 0.00 0.00 0.00 0.00 23.12 23.31 1c9t s ALA 57 CO 0.51 -0.39 1.39 -2.30 0.00 0.00 0.00 175.76 174.97 1c9t n PRO 58 N 0.82 2.38 0.00 0.00 -0.02 -1.26 -4.96 135.00 131.96 1c9t n PRO 58 Ca -0.19 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1c9t n PRO 58 Cb 0.58 -2.49 0.73 0.00 -0.02 0.00 0.00 33.50 32.29 1c9t n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48