#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 -1.91 12.58 -2.24 -0.09 -4.95 114.28 117.67 1c9t n THR 8 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1c9t n THR 8 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1c9t n THR 8 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1c9t s PRO 9 N -1.32 4.20 -0.19 -0.78 0.04 -1.26 0.52 135.00 136.21 1c9t s PRO 9 Ca 0.00 2.42 -0.05 0.00 0.04 0.00 0.00 61.00 63.41 1c9t s PRO 9 Cb 0.00 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.52 1c9t s PRO 9 CO 0.00 -0.53 0.10 0.00 0.04 0.00 0.00 177.00 176.61 1c9t n GLY 11 N 5.28 3.04 0.01 0.00 0.00 -1.25 -0.20 105.19 112.06 1c9t n GLY 11 Ca -0.07 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 12.22 0.03 -3.33 1.61 -0.04 -1.26 -4.89 135.00 139.34 1c9t n PRO 12 Ca 0.00 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.32 1c9t n PRO 12 Cb 0.00 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.57 0.00 -3.66 0.52 0.24 0.72 -5.15 118.33 109.42 1c9t n VAL 13 Ca 0.06 -1.21 -0.18 0.00 -2.04 0.00 0.00 64.34 60.97 1c9t n VAL 13 Cb 0.35 0.28 -0.16 0.00 -1.47 0.00 0.00 33.84 32.83 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 -1.99 -0.22 0.20 3.34 -4.23 -1.26 -0.45 115.64 111.02 1c9t s THR 14 Ca 0.02 0.36 -0.31 0.00 -1.18 0.00 0.00 61.69 60.57 1c9t s THR 14 Cb 0.00 -0.27 -0.10 0.00 1.34 0.00 0.00 72.50 73.47 1c9t s THR 14 CO 0.01 0.14 1.52 0.00 -0.54 0.00 0.00 174.62 175.76 1c9t s SER 16 N 0.84 4.86 0.00 0.00 0.15 -1.26 -0.91 113.70 117.38 1c9t s SER 16 Ca 0.66 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1c9t s SER 16 Cb -0.43 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1c9t s SER 16 CO 0.36 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1c9t n GLY 17 N -1.29 0.67 0.95 9.45 0.00 -1.26 -1.04 105.19 112.67 1c9t n GLY 17 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 3.00 2.95 -2.66 4.61 0.00 -1.26 -1.39 120.51 125.76 1c9t n ALA 18 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 1c9t n ALA 18 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.63 3.71 -0.11 0.00 -0.21 -0.21 -4.40 119.66 116.81 1c9t s GLN 19 Ca 0.19 0.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.72 1c9t s GLN 19 Cb 0.14 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 1c9t s GLN 19 CO 0.06 0.71 -0.07 -1.64 -2.12 0.00 0.00 175.29 172.23 1c9t s MET 20 N -1.21 3.18 0.01 2.91 -1.94 0.66 -2.61 119.30 120.30 1c9t s MET 20 Ca 0.22 -0.56 -0.26 0.00 -1.71 0.00 0.00 55.69 53.38 1c9t s MET 20 Cb -0.14 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1c9t s MET 20 CO 0.11 0.44 0.80 0.00 -0.01 0.00 0.00 175.02 176.36 1c9t s GLU 22 N 0.41 2.17 0.00 0.00 2.12 0.25 -4.95 118.70 118.69 1c9t s GLU 22 Ca 0.41 -2.50 0.00 0.00 0.36 0.00 0.00 54.97 53.24 1c9t s GLU 22 Cb -0.20 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1c9t s GLU 22 CO 0.23 -1.12 0.00 0.28 -0.54 0.00 0.00 175.26 174.11 1c9t n VAL 23 N 3.39 0.00 -0.27 3.70 0.31 -1.26 -1.39 118.33 122.81 1c9t n VAL 23 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1c9t n VAL 23 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 1.51 0.61 -4.21 4.52 5.75 -1.26 -3.93 116.55 119.53 1c9t n ASP 24 Ca 0.00 -0.92 -0.24 0.00 -0.01 0.00 0.00 54.79 53.62 1c9t n ASP 24 Cb 0.00 0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 1c9t n ASP 24 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1c9t s LYS 25 N -0.08 1.22 -0.27 0.11 2.20 -0.49 -4.20 119.74 118.22 1c9t s LYS 25 Ca 0.00 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.61 1c9t s LYS 25 Cb 0.00 -1.30 -0.05 0.00 -1.51 0.00 0.00 37.83 34.97 1c9t s LYS 25 CO 0.00 0.33 0.23 0.00 -0.36 0.00 0.00 175.35 175.55 1c9t s VAL 27 N 1.72 1.98 0.52 0.00 -7.23 0.05 -4.92 120.40 112.53 1c9t s VAL 27 Ca 0.09 -2.17 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 1c9t s VAL 27 Cb -0.16 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1c9t s VAL 27 CO 0.10 -0.23 0.83 0.00 -0.31 0.00 0.00 175.10 175.49 1c9t s SER 29 N -4.17 3.06 0.00 0.00 1.04 -1.26 -4.86 113.70 107.51 1c9t s SER 29 Ca 0.50 -1.09 0.24 0.00 0.48 0.00 0.00 55.95 56.08 1c9t s SER 29 Cb -0.10 -0.22 0.22 0.00 0.10 0.00 0.00 66.02 66.02 1c9t s SER 29 CO 0.45 -0.16 1.28 0.47 0.98 0.00 0.00 173.24 176.26 1c9t n ASP 30 N -0.55 2.98 -4.66 7.02 8.00 -1.26 -4.75 116.55 123.32 1c9t n ASP 30 Ca -0.06 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 1c9t n ASP 30 Cb 0.61 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.98 4.40 -0.06 0.64 2.96 -1.26 -4.99 118.68 118.39 1c9t s LEU 31 Ca 0.29 2.57 -0.15 0.00 -0.22 0.00 0.00 54.13 56.62 1c9t s LEU 31 Cb 0.20 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.39 1c9t s LEU 31 CO 0.30 -1.04 0.35 -1.00 -1.32 0.00 0.00 176.35 173.64 1c9t s HIS 32 N 4.44 -0.28 0.74 5.38 3.76 -1.26 -4.35 115.29 123.72 1c9t s HIS 32 Ca 0.86 0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.21 1c9t s HIS 32 Cb -0.41 0.13 0.04 0.00 1.11 0.00 0.00 32.58 33.45 1c9t s HIS 32 CO 0.39 -0.34 1.08 0.00 -0.85 0.00 0.00 174.74 175.02 1c9t n LYS 34 N -3.26 2.42 -1.80 0.00 5.02 -1.26 -4.97 118.16 114.30 1c9t n LYS 34 Ca 0.07 -2.69 -0.24 0.00 -2.02 0.00 0.00 58.31 53.43 1c9t n LYS 34 Cb 0.55 -2.08 0.15 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.87 -0.18 0.24 -1.26 -5.06 118.33 108.10 1c9t n VAL 35 Ca 0.49 -0.98 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 1c9t n VAL 35 Cb 0.52 -1.41 -0.14 0.00 -1.47 0.00 0.00 33.84 31.33 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 -5.26 1.41 0.04 7.34 2.20 -1.26 -5.09 119.74 119.13 1c9t s LYS 36 Ca 0.62 -1.94 -0.29 0.00 -0.36 0.00 0.00 55.97 53.99 1c9t s LYS 36 Cb -0.02 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 1c9t s LYS 36 CO 0.43 -1.04 0.95 0.00 -0.36 0.00 0.00 175.35 175.32 1c9t h GLU 38 N 6.23 0.81 -0.61 0.00 4.11 -1.99 -2.86 114.58 120.28 1c9t h GLU 38 Ca -0.42 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1c9t h GLU 38 Cb 1.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1c9t h GLU 38 CO 0.73 0.54 0.00 0.72 0.07 0.00 0.00 179.01 181.07 1c9t n HIS 39 N -4.70 0.82 0.00 2.06 8.25 -1.26 -5.06 115.22 115.33 1c9t n HIS 39 Ca 0.11 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1c9t n HIS 39 Cb 0.19 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 1.27 -0.53 3.77 -1.41 0.00 -1.08 -4.70 105.19 102.51 1c9t n GLY 40 Ca 0.20 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.62 3.25 0.23 1.61 0.40 -1.26 -0.58 117.98 120.00 1c9t s PHE 41 Ca 0.00 1.61 -0.30 0.00 -0.60 0.00 0.00 56.93 57.63 1c9t s PHE 41 Cb 0.00 -3.31 -0.10 0.00 0.51 0.00 0.00 43.02 40.12 1c9t s PHE 41 CO 0.00 -0.97 1.48 0.21 0.70 0.00 0.00 175.22 176.63 1c9t s LYS 42 N -2.10 4.24 -0.10 0.44 2.20 0.10 -4.41 119.74 120.11 1c9t s LYS 42 Ca 0.54 2.34 -0.01 0.00 -0.36 0.00 0.00 55.97 58.47 1c9t s LYS 42 Cb -0.29 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1c9t s LYS 42 CO 0.37 -0.48 -0.05 0.15 -0.36 0.00 0.00 175.35 174.99 1c9t s LYS 43 N -0.05 3.13 0.82 4.03 1.02 -1.26 0.83 119.74 128.26 1c9t s LYS 43 Ca 0.62 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.98 1c9t s LYS 43 Cb -0.43 -2.74 0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1c9t s LYS 43 CO 0.41 0.51 1.17 0.16 -0.92 0.00 0.00 175.35 176.68 1c9t s ASP 44 N -0.38 4.16 0.65 2.83 3.84 0.42 -4.89 116.67 123.31 1c9t s ASP 44 Ca 0.06 0.47 0.31 0.00 -0.00 0.00 0.00 52.55 53.38 1c9t s ASP 44 Cb -0.12 -0.86 1.68 0.00 -1.38 0.00 0.00 42.92 42.24 1c9t s ASP 44 CO 0.02 -2.07 1.97 0.44 -0.00 0.00 0.00 175.17 175.53 1c9t h ASP 45 N -1.08 0.00 0.42 2.11 3.32 -1.99 0.95 116.42 120.16 1c9t h ASP 45 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 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 0.54 0.00 -0.37 0.59 -1.72 0.00 0.00 179.24 178.29 1c9t n ASN 46 N -3.08 0.65 0.00 6.45 4.13 -1.26 -4.95 115.26 117.21 1c9t n ASN 46 Ca -0.01 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.80 1c9t n ASN 46 Cb 0.39 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 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 1.43 0.51 3.80 7.41 0.00 0.33 -5.08 105.19 113.59 1c9t n GLY 47 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.15 3.70 0.19 0.00 2.02 -1.26 -0.43 118.70 119.77 1c9t s GLU 49 Ca 0.65 0.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.51 1c9t s GLU 49 Cb -0.15 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 1c9t s GLU 49 CO 0.19 0.72 1.21 0.71 0.02 0.00 0.00 175.26 178.11 1c9t s TYR 50 N -1.08 3.40 0.15 1.61 1.51 0.24 -4.79 117.35 118.41 1c9t s TYR 50 Ca 0.21 1.41 -0.30 0.00 -1.01 0.00 0.00 57.07 57.38 1c9t s TYR 50 Cb -0.15 -3.45 -0.05 0.00 -0.11 0.00 0.00 41.96 38.21 1c9t s TYR 50 CO 0.10 -1.27 1.55 0.00 -1.11 0.00 0.00 175.55 174.82 1c9t h ALA 51 N 5.18 -0.56 -1.72 3.71 0.00 -1.90 -3.28 119.26 120.69 1c9t h ALA 51 Ca -0.45 0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.04 1c9t h ALA 51 Cb 1.21 1.17 -0.41 0.00 0.00 0.00 0.00 17.79 19.76 1c9t h ALA 51 CO 0.74 -0.96 -0.96 0.00 0.00 0.00 0.00 179.25 178.08 1c9t s ILE 53 N -3.80 -0.04 0.12 0.00 1.01 -1.24 -5.04 121.20 112.22 1c9t s ILE 53 Ca 0.41 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.17 1c9t s ILE 53 Cb 0.37 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 42.43 1c9t s ILE 53 CO -0.09 0.06 0.33 0.00 0.00 0.00 0.00 174.94 175.24 1c9t s ALA 55 N -1.63 3.38 -0.50 0.00 0.00 0.25 -4.38 121.76 118.87 1c9t s ALA 55 Ca 0.39 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.39 1c9t s ALA 55 Cb -0.12 -3.29 0.71 0.00 0.00 0.00 0.00 23.12 20.42 1c9t s ALA 55 CO 0.26 -0.05 1.73 -0.44 0.00 0.00 0.00 175.76 177.26 1c9t h ASP 56 N 4.17 0.00 -5.01 0.00 5.19 -1.93 -3.39 116.42 115.45 1c9t h ASP 56 Ca -0.46 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.85 1c9t h ASP 56 Cb 1.21 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.53 1c9t h ASP 56 CO 0.68 0.00 -0.20 0.00 -3.12 0.00 0.00 179.24 176.60 1c9t s ALA 57 N -3.23 -0.89 0.45 3.45 0.00 -1.26 -5.01 121.76 115.27 1c9t s ALA 57 Ca 0.08 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 1c9t s ALA 57 Cb 0.09 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 1c9t s ALA 57 CO 0.60 -0.32 1.37 -1.25 0.00 0.00 0.00 175.76 176.16 1c9t s PRO 58 N -1.63 3.70 0.00 0.00 0.04 -1.26 -4.95 135.00 130.89 1c9t s PRO 58 Ca -0.11 2.29 0.29 0.00 0.04 0.00 0.00 61.00 63.51 1c9t s PRO 58 Cb -0.04 -2.62 1.30 0.00 0.04 0.00 0.00 34.50 33.18 1c9t s PRO 58 CO 0.03 -0.76 1.89 0.00 0.04 0.00 0.00 177.00 178.20