#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8x s ILE 2 N 0.00 2.56 -0.24 1.34 1.09 -0.84 -4.93 121.20 120.19 1i8x s ILE 2 Ca 0.00 -1.26 -0.06 0.00 -1.10 0.00 0.00 60.65 58.24 1i8x s ILE 2 Cb 0.00 -2.36 -0.12 0.00 -1.06 0.00 0.00 42.46 38.92 1i8x s ILE 2 CO 0.00 0.13 -0.26 1.41 -0.10 0.00 0.00 174.94 176.12 1i8x n HIS 3 N 4.58 0.00 0.00 3.97 8.25 -1.26 -0.75 115.22 130.01 1i8x n HIS 3 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1i8x n HIS 3 Cb 0.45 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1i8x n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i8x n ASP 5 N 2.94 0.00 -2.19 0.00 2.03 -1.26 -4.86 116.55 113.21 1i8x n ASP 5 Ca 0.00 -1.40 -0.18 0.00 0.52 0.00 0.00 54.79 53.74 1i8x n ASP 5 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1i8x n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i8x n ALA 6 N -0.80 -0.58 0.00 -1.67 0.00 -0.63 -4.75 120.51 112.09 1i8x n ALA 6 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1i8x n ALA 6 Cb 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1i8x n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i8x n ALA 7 N -1.32 1.05 -3.70 0.00 0.00 -1.26 -5.04 120.51 110.25 1i8x n ALA 7 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 1i8x n ALA 7 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 1i8x n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i8x s THR 8 N -0.74 -0.17 0.40 0.00 2.01 -1.26 -5.15 115.64 110.72 1i8x s THR 8 Ca 0.00 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1i8x s THR 8 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1i8x s THR 8 CO 0.00 0.12 0.76 -0.63 -0.69 0.00 0.00 174.62 174.18 1i8x s ILE 9 N 1.85 4.80 0.03 1.82 1.01 -1.26 -4.18 121.20 125.28 1i8x s ILE 9 Ca -0.02 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 1i8x s ILE 9 Cb -0.12 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1i8x s ILE 9 CO -0.06 -0.52 0.13 0.00 0.00 0.00 0.00 174.94 174.49 1i8x s PRO 11 N -2.18 4.03 -0.39 0.00 0.02 -1.26 -1.98 135.00 133.24 1i8x s PRO 11 Ca -0.08 2.33 -0.27 0.00 0.02 0.00 0.00 61.00 63.00 1i8x s PRO 11 Cb -0.03 -2.86 -0.07 0.00 0.02 0.00 0.00 34.50 31.56 1i8x s PRO 11 CO -0.02 -0.50 2.34 -0.25 -0.33 0.00 0.00 177.00 178.24 1i8x n ASP 12 N 0.30 2.65 0.00 2.53 9.92 -1.26 -1.95 116.55 128.74 1i8x n ASP 12 Ca 0.02 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1i8x n ASP 12 Cb 0.42 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.33 1i8x n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i8x n GLY 13 N 5.94 -0.40 3.50 0.44 0.00 -1.26 -5.10 105.19 108.30 1i8x n GLY 13 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1i8x n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i8x s THR 14 N -0.59 2.80 0.18 2.61 -4.23 -0.82 -3.71 115.64 111.88 1i8x s THR 14 Ca 0.00 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1i8x s THR 14 Cb 0.00 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1i8x s THR 14 CO 0.00 -0.10 0.16 0.28 -0.54 0.00 0.00 174.62 174.43 1i8x s THR 15 N -1.64 4.54 -0.40 3.99 -1.32 -0.48 -4.83 115.64 115.49 1i8x s THR 15 Ca 0.23 -1.13 -0.27 0.00 -1.21 0.00 0.00 61.69 59.31 1i8x s THR 15 Cb -0.09 -3.35 0.02 0.00 -1.51 0.00 0.00 72.50 67.58 1i8x s THR 15 CO 0.12 -0.16 1.02 0.00 -2.21 0.00 0.00 174.62 173.39 1i8x s SER 17 N 2.03 2.38 0.02 0.00 0.01 -0.52 -4.99 113.70 112.62 1i8x s SER 17 Ca 0.42 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 1i8x s SER 17 Cb -0.10 -0.87 -0.06 0.00 0.21 0.00 0.00 66.02 65.20 1i8x s SER 17 CO 0.22 0.13 0.59 -0.76 0.41 0.00 0.00 173.24 173.83 1i8x s LEU 18 N 0.25 4.45 0.57 2.44 1.43 -1.26 -1.26 118.68 125.29 1i8x s LEU 18 Ca -0.10 1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 1i8x s LEU 18 Cb -0.14 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1i8x s LEU 18 CO 0.04 0.15 0.93 -0.94 0.23 0.00 0.00 176.35 176.77 1i8x s SER 19 N -0.47 6.18 0.13 2.29 1.04 0.14 -4.86 113.70 118.16 1i8x s SER 19 Ca 0.30 1.18 0.08 0.00 0.48 0.00 0.00 55.95 57.99 1i8x s SER 19 Cb -0.19 -2.32 0.43 0.00 0.10 0.00 0.00 66.02 64.04 1i8x s SER 19 CO 0.18 -0.79 1.20 -2.65 0.98 0.00 0.00 173.24 172.17 1i8x n PRO 20 N -2.56 0.05 -0.52 4.02 -0.02 -1.26 -0.49 135.00 134.22 1i8x n PRO 20 Ca 0.04 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1i8x n PRO 20 Cb 0.55 -1.73 0.22 0.00 -0.02 0.00 0.00 33.50 32.51 1i8x n PRO 20 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1i8x n TYR 21 N -1.76 0.80 -3.17 6.00 4.01 -1.26 -4.97 117.16 116.81 1i8x n TYR 21 Ca -0.01 -1.19 -0.14 0.00 -0.16 0.00 0.00 57.90 56.40 1i8x n TYR 21 Cb 0.07 -0.35 0.07 0.00 -0.31 0.00 0.00 39.34 38.82 1i8x n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i8x n GLY 22 N -0.92 -0.41 3.00 2.72 0.00 0.36 -5.02 105.19 104.92 1i8x n GLY 22 Ca 0.25 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1i8x n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8x s VAL 23 N -3.32 1.67 -0.11 1.61 1.01 -1.24 -4.85 120.40 115.17 1i8x s VAL 23 Ca 0.10 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1i8x s VAL 23 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1i8x s VAL 23 CO 0.63 0.18 1.37 0.26 0.00 0.00 0.00 175.10 177.54 1i8x s TRP 24 N 1.38 2.67 0.05 5.22 0.52 -1.26 -0.68 118.94 126.84 1i8x s TRP 24 Ca -0.01 0.81 0.01 0.00 0.02 0.00 0.00 56.10 56.93 1i8x s TRP 24 Cb -0.16 -3.61 -0.03 0.00 -1.15 0.00 0.00 33.47 28.52 1i8x s TRP 24 CO -0.08 -2.26 -0.06 1.52 0.02 0.00 0.00 176.95 176.09 1i8x s TYR 25 N 3.38 0.58 -0.17 -1.98 -0.85 -0.39 -4.99 117.35 112.93 1i8x s TYR 25 Ca 0.60 -0.69 -0.20 0.00 -0.52 0.00 0.00 57.07 56.27 1i8x s TYR 25 Cb -0.26 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 1i8x s TYR 25 CO 0.20 -0.17 0.58 0.00 -1.52 0.00 0.00 175.55 174.64 1i8x s SER 27 N 1.03 3.96 0.33 0.00 0.15 -0.50 -4.87 113.70 113.79 1i8x s SER 27 Ca 0.28 -0.57 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 1i8x s SER 27 Cb -0.16 -1.65 -0.10 0.00 -1.71 0.00 0.00 66.02 62.40 1i8x s SER 27 CO 0.11 -0.04 1.33 -2.16 1.20 0.00 0.00 173.24 173.69 1i8x s PRO 28 N 1.39 4.32 0.19 5.44 0.04 -1.26 -1.39 135.00 143.74 1i8x s PRO 28 Ca 0.04 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1i8x s PRO 28 Cb -0.14 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1i8x s PRO 28 CO -0.06 -0.24 0.07 -0.59 0.04 0.00 0.00 177.00 176.22 1i8x s PHE 29 N -1.08 1.21 0.00 0.56 -0.12 -1.24 -4.94 117.98 112.37 1i8x s PHE 29 Ca 0.50 -1.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 1i8x s PHE 29 Cb -0.41 -0.67 0.00 0.00 -0.63 0.00 0.00 43.02 41.31 1i8x s PHE 29 CO 0.54 -0.42 0.00 0.45 -0.05 0.00 0.00 175.22 175.74