#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9t n THR 8 N 0.00 0.00 -1.86 12.58 5.66 -0.24 -4.96 114.28 125.46 1c9t n THR 8 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1c9t n THR 8 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1c9t n THR 8 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1c9t s PRO 9 N -1.28 4.17 -0.21 1.09 0.04 -1.26 0.23 135.00 137.78 1c9t s PRO 9 Ca 0.00 2.49 -0.04 0.00 0.04 0.00 0.00 61.00 63.49 1c9t s PRO 9 Cb 0.00 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.59 1c9t s PRO 9 CO 0.00 -0.54 0.16 0.00 0.04 0.00 0.00 177.00 176.67 1c9t n GLY 11 N 5.30 3.05 0.00 0.00 0.00 -1.25 -0.25 105.19 112.03 1c9t n GLY 11 Ca -0.06 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 0.14 -3.32 1.61 -0.04 -1.26 -4.88 135.00 141.25 1c9t n PRO 12 Ca 0.00 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 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 -1.43 0.00 -3.67 0.52 0.24 0.65 -5.15 118.33 109.49 1c9t n VAL 13 Ca 0.09 -1.19 -0.20 0.00 -2.04 0.00 0.00 64.34 61.00 1c9t n VAL 13 Cb 0.31 0.26 -0.18 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.95 -0.12 0.15 3.34 -4.23 -1.26 -0.60 115.64 110.98 1c9t s THR 14 Ca 0.01 0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 60.61 1c9t s THR 14 Cb 0.00 -0.18 -0.10 0.00 1.34 0.00 0.00 72.50 73.57 1c9t s THR 14 CO 0.01 0.16 1.57 0.00 -0.54 0.00 0.00 174.62 175.81 1c9t s SER 16 N 1.28 5.27 0.00 0.00 0.01 -1.26 -1.08 113.70 117.92 1c9t s SER 16 Ca 0.70 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1c9t s SER 16 Cb -0.43 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 64.92 1c9t s SER 16 CO 0.31 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1c9t n GLY 17 N -1.44 0.09 1.06 3.44 0.00 -1.26 -0.74 105.19 106.34 1c9t n GLY 17 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 0.55 3.04 -2.51 4.61 0.00 -1.26 -1.45 120.51 123.48 1c9t n ALA 18 Ca 0.00 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.25 1c9t n ALA 18 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.75 3.96 -0.11 0.00 -0.21 0.08 -4.41 119.66 117.22 1c9t s GLN 19 Ca 0.24 0.41 -0.02 0.00 0.02 0.00 0.00 55.36 56.01 1c9t s GLN 19 Cb 0.18 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 1c9t s GLN 19 CO 0.08 0.65 -0.01 0.00 -2.12 0.00 0.00 175.29 173.88 1c9t s MET 20 N -0.93 3.17 -0.02 2.91 0.23 0.96 -2.67 119.30 122.94 1c9t s MET 20 Ca 0.24 -0.44 -0.26 0.00 -1.03 0.00 0.00 55.69 54.19 1c9t s MET 20 Cb -0.17 -2.83 -0.04 0.00 -1.53 0.00 0.00 34.83 30.27 1c9t s MET 20 CO 0.13 0.57 0.83 0.00 -2.03 0.00 0.00 175.02 174.52 1c9t s GLU 22 N 0.80 2.02 0.00 0.00 2.12 0.20 -4.96 118.70 118.89 1c9t s GLU 22 Ca 0.44 -2.58 0.00 0.00 0.36 0.00 0.00 54.97 53.19 1c9t s GLU 22 Cb -0.19 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1c9t s GLU 22 CO 0.23 -1.11 0.00 0.28 -0.54 0.00 0.00 175.26 174.12 1c9t n VAL 23 N 3.20 0.00 -0.37 3.70 0.31 -1.26 -1.33 118.33 122.59 1c9t n VAL 23 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1c9t n VAL 23 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 0.94 0.53 -4.16 4.52 5.75 -1.26 -3.85 116.55 119.03 1c9t n ASP 24 Ca 0.00 -0.93 -0.20 0.00 -0.01 0.00 0.00 54.79 53.66 1c9t n ASP 24 Cb 0.00 0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1c9t n ASP 24 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1c9t s LYS 25 N -0.06 0.93 -0.22 0.11 -2.85 -0.44 -4.26 119.74 112.94 1c9t s LYS 25 Ca 0.00 -0.82 -0.08 0.00 -1.00 0.00 0.00 55.97 54.07 1c9t s LYS 25 Cb 0.00 -0.95 -0.04 0.00 -2.06 0.00 0.00 37.83 34.78 1c9t s LYS 25 CO 0.00 0.23 0.10 0.00 0.10 0.00 0.00 175.35 175.78 1c9t s VAL 27 N 0.91 1.58 0.63 0.00 -7.23 0.16 -4.92 120.40 111.54 1c9t s VAL 27 Ca 0.05 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.01 1c9t s VAL 27 Cb -0.14 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1c9t s VAL 27 CO 0.03 -0.30 1.01 0.00 -0.31 0.00 0.00 175.10 175.52 1c9t s SER 29 N -4.24 2.97 0.00 0.00 1.04 -1.26 -4.85 113.70 107.37 1c9t s SER 29 Ca 0.55 -1.02 0.23 0.00 0.48 0.00 0.00 55.95 56.19 1c9t s SER 29 Cb -0.11 -0.20 0.18 0.00 0.10 0.00 0.00 66.02 65.99 1c9t s SER 29 CO 0.51 -0.09 1.20 0.47 0.98 0.00 0.00 173.24 176.32 1c9t n ASP 30 N -0.47 1.58 -4.67 7.02 8.00 -1.26 -4.77 116.55 121.98 1c9t n ASP 30 Ca -0.07 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.78 1c9t n ASP 30 Cb 0.60 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 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 -2.57 4.40 -0.03 0.64 0.20 -1.26 -4.98 118.68 115.08 1c9t s LEU 31 Ca 0.18 2.60 -0.18 0.00 0.69 0.00 0.00 54.13 57.42 1c9t s LEU 31 Cb 0.18 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.43 1c9t s LEU 31 CO 0.60 -1.00 0.39 -1.00 -0.29 0.00 0.00 176.35 175.05 1c9t s HIS 32 N 3.79 -0.29 0.67 5.38 3.76 -1.26 -4.30 115.29 123.03 1c9t s HIS 32 Ca 0.82 0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 56.10 1c9t s HIS 32 Cb -0.41 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 1c9t s HIS 32 CO 0.37 -0.42 1.05 0.00 -0.85 0.00 0.00 174.74 174.89 1c9t n LYS 34 N -2.90 2.49 -1.95 0.00 5.02 -1.26 -4.96 118.16 114.61 1c9t n LYS 34 Ca 0.07 -2.72 -0.28 0.00 -2.02 0.00 0.00 58.31 53.37 1c9t n LYS 34 Cb 0.53 -2.16 0.19 0.00 -0.02 0.00 0.00 35.03 33.57 1c9t n LYS 34 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1c9t n VAL 35 N 0.33 0.00 -3.84 -0.18 0.31 -1.26 -5.05 118.33 108.64 1c9t n VAL 35 Ca 0.50 -1.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.49 1c9t n VAL 35 Cb 0.45 -1.43 -0.14 0.00 -0.91 0.00 0.00 33.84 31.81 1c9t n VAL 35 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1c9t s LYS 36 N -5.71 1.50 -0.01 5.55 2.20 -1.26 -5.08 119.74 116.94 1c9t s LYS 36 Ca 0.72 -2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 53.91 1c9t s LYS 36 Cb -0.02 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1c9t s LYS 36 CO 0.50 -1.10 1.26 0.00 -0.36 0.00 0.00 175.35 175.65 1c9t h GLU 38 N 7.40 0.55 -0.24 0.00 4.81 -1.98 -2.91 114.58 122.21 1c9t h GLU 38 Ca -0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1c9t h GLU 38 Cb 1.18 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1c9t h GLU 38 CO 0.87 0.36 0.00 0.72 -0.73 0.00 0.00 179.01 180.23 1c9t n HIS 39 N -4.87 0.30 0.00 0.92 8.25 -1.26 -5.06 115.22 113.49 1c9t n HIS 39 Ca 0.08 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1c9t n HIS 39 Cb 0.21 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 1.06 0.40 3.76 -1.41 0.00 -1.10 -4.73 105.19 103.16 1c9t n GLY 40 Ca 0.14 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.00 3.21 0.28 1.61 0.40 -1.26 -0.14 117.98 120.09 1c9t s PHE 41 Ca 0.00 1.40 -0.30 0.00 -0.60 0.00 0.00 56.93 57.43 1c9t s PHE 41 Cb 0.00 -3.59 -0.12 0.00 0.51 0.00 0.00 43.02 39.83 1c9t s PHE 41 CO 0.00 -1.63 1.62 1.17 0.70 0.00 0.00 175.22 177.08 1c9t n LYS 42 N 1.45 2.73 -4.54 0.44 4.81 0.16 -4.46 118.16 118.76 1c9t n LYS 42 Ca 0.02 0.97 -0.33 0.00 -0.87 0.00 0.00 58.31 58.10 1c9t n LYS 42 Cb 0.43 -2.77 -0.11 0.00 0.02 0.00 0.00 35.03 32.60 1c9t n LYS 42 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1c9t s LYS 43 N -0.25 2.67 0.66 1.64 1.02 -1.26 0.67 119.74 124.89 1c9t s LYS 43 Ca 0.66 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 1c9t s LYS 43 Cb -0.49 -2.56 0.08 0.00 -0.52 0.00 0.00 37.83 34.34 1c9t s LYS 43 CO 0.46 0.64 0.92 0.16 -0.92 0.00 0.00 175.35 176.61 1c9t s ASP 44 N -1.10 4.74 0.65 2.83 3.84 0.91 -4.93 116.67 123.61 1c9t s ASP 44 Ca 0.15 -0.08 0.27 0.00 -0.00 0.00 0.00 52.55 52.89 1c9t s ASP 44 Cb -0.11 -0.53 1.44 0.00 -1.38 0.00 0.00 42.92 42.34 1c9t s ASP 44 CO 0.04 -1.57 1.82 0.44 -0.00 0.00 0.00 175.17 175.90 1c9t h ASP 45 N -0.35 0.00 0.10 2.11 3.32 -2.00 0.71 116.42 120.32 1c9t h ASP 45 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 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 0.48 0.00 -0.13 0.59 -1.72 0.00 0.00 179.24 178.46 1c9t n ASN 46 N -3.00 1.34 0.00 6.45 4.13 -1.26 -4.94 115.26 117.98 1c9t n ASN 46 Ca 0.00 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 55.03 1c9t n ASN 46 Cb 0.50 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 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 1.26 2.30 3.78 7.41 0.00 0.24 -5.07 105.19 115.11 1c9t n GLY 47 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.11 3.28 0.13 0.00 2.02 -1.26 -0.06 118.70 118.70 1c9t s GLU 49 Ca 0.66 -0.40 -0.31 0.00 0.02 0.00 0.00 54.97 54.94 1c9t s GLU 49 Cb -0.20 -2.90 -0.09 0.00 0.10 0.00 0.00 34.13 31.05 1c9t s GLU 49 CO 0.41 0.56 1.46 0.71 0.02 0.00 0.00 175.26 178.42 1c9t s TYR 50 N -0.48 3.15 0.22 1.61 1.51 0.21 -4.78 117.35 118.80 1c9t s TYR 50 Ca 0.09 0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 56.79 1c9t s TYR 50 Cb -0.12 -3.78 0.23 0.00 -0.11 0.00 0.00 41.96 38.18 1c9t s TYR 50 CO 0.02 -2.80 1.57 0.00 -1.11 0.00 0.00 175.55 173.23 1c9t h ALA 51 N 6.85 0.16 -1.84 3.71 0.00 -1.90 -3.20 119.26 123.04 1c9t h ALA 51 Ca -0.42 0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.24 1c9t h ALA 51 Cb 1.21 0.90 -0.41 0.00 0.00 0.00 0.00 17.79 19.49 1c9t h ALA 51 CO 0.89 -0.61 -1.01 0.00 0.00 0.00 0.00 179.25 178.52 1c9t s ILE 53 N -3.39 -0.09 0.28 0.00 1.01 -1.21 -5.03 121.20 112.77 1c9t s ILE 53 Ca 0.41 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 1c9t s ILE 53 Cb 0.36 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.54 1c9t s ILE 53 CO -0.08 0.10 0.61 0.00 0.00 0.00 0.00 174.94 175.56 1c9t s ALA 55 N -1.99 3.40 0.21 0.00 0.00 0.81 -4.28 121.76 119.91 1c9t s ALA 55 Ca 0.48 0.89 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1c9t s ALA 55 Cb -0.11 -3.36 0.58 0.00 0.00 0.00 0.00 23.12 20.24 1c9t s ALA 55 CO 0.24 -0.23 1.70 -0.44 0.00 0.00 0.00 175.76 177.03 1c9t h ASP 56 N 4.54 0.00 -5.10 0.00 3.32 -1.94 -3.39 116.42 113.86 1c9t h ASP 56 Ca -0.45 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1c9t h ASP 56 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 1c9t h ASP 56 CO 0.70 0.45 -0.13 0.00 -1.72 0.00 0.00 179.24 178.55 1c9t s ALA 57 N -3.63 -0.78 0.36 3.45 0.00 -1.26 -4.98 121.76 114.92 1c9t s ALA 57 Ca -0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1c9t s ALA 57 Cb 0.12 0.67 -0.12 0.00 0.00 0.00 0.00 23.12 23.79 1c9t s ALA 57 CO 0.71 -0.63 1.39 -2.30 0.00 0.00 0.00 175.76 174.93 1c9t n PRO 58 N -0.20 2.41 0.00 0.00 -0.02 -1.26 -4.96 135.00 130.97 1c9t n PRO 58 Ca -0.15 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1c9t n PRO 58 Cb 0.63 -2.50 0.78 0.00 -0.02 0.00 0.00 33.50 32.39 1c9t n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48