#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3c s ALA 7 N 8.54 3.53 0.02 0.00 0.00 -1.26 -5.00 121.76 127.59 2f3c s ALA 7 Ca 0.62 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.83 2f3c s ALA 7 Cb -0.08 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2f3c s ALA 7 CO 0.08 -0.96 -0.24 0.00 0.00 0.00 0.00 175.76 174.64 2f3c n PRO 9 N 1.96 0.01 -1.23 0.00 -0.04 -1.26 -4.91 135.00 129.53 2f3c n PRO 9 Ca -0.17 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 2f3c n PRO 9 Cb 0.52 -2.34 0.15 0.00 -0.04 0.00 0.00 33.50 31.78 2f3c n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2f3c n ARG 10 N -3.22 2.36 -2.81 0.54 1.74 -1.26 -4.94 116.66 109.07 2f3c n ARG 10 Ca 0.12 -3.17 -0.37 0.00 -0.77 0.00 0.00 57.85 53.67 2f3c n ARG 10 Cb 0.51 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 2f3c n ARG 10 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2f3c s VAL 11 N -3.75 4.24 -0.35 1.55 0.11 -1.26 -5.05 120.40 115.89 2f3c s VAL 11 Ca 0.57 1.78 -0.17 0.00 -2.93 0.00 0.00 61.98 61.23 2f3c s VAL 11 Cb 0.47 -3.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.33 2f3c s VAL 11 CO 0.06 0.14 0.46 -0.22 -3.33 0.00 0.00 175.10 172.21 2f3c s LEU 12 N -2.07 4.39 -0.41 2.54 2.96 -1.26 -4.54 118.68 120.29 2f3c s LEU 12 Ca 0.50 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.38 2f3c s LEU 12 Cb -0.18 -2.50 0.26 0.00 0.50 0.00 0.00 46.19 44.27 2f3c s LEU 12 CO 0.23 -0.43 0.64 1.57 -1.32 0.00 0.00 176.35 177.04 2f3c n HIS 13 N 5.62 -0.96 -1.65 5.38 -0.00 0.19 -5.00 115.22 118.79 2f3c n HIS 13 Ca -0.06 -3.20 -0.54 0.00 0.46 0.00 0.00 57.72 54.38 2f3c n HIS 13 Cb 0.49 0.08 -0.06 0.00 -0.12 0.00 0.00 29.99 30.38 2f3c n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2f3c n ARG 14 N 1.27 1.24 -4.55 1.57 1.74 -1.01 -3.90 116.66 113.03 2f3c n ARG 14 Ca 0.19 0.45 -0.25 0.00 -0.77 0.00 0.00 57.85 57.47 2f3c n ARG 14 Cb 0.57 -2.13 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 2f3c n ARG 14 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2f3c s VAL 15 N 2.08 1.49 -0.19 1.55 -7.23 0.51 -0.26 120.40 118.35 2f3c s VAL 15 Ca 0.91 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 2f3c s VAL 15 Cb -0.98 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2f3c s VAL 15 CO 0.55 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 175.21 2f3c s GLY 17 N 1.25 1.64 0.27 0.00 0.00 0.18 -0.06 107.32 110.61 2f3c s GLY 17 Ca 0.03 -0.15 0.24 0.00 0.00 0.00 0.00 44.72 44.84 2f3c s GLY 17 CO -0.06 0.12 1.72 -1.14 0.00 0.00 0.00 173.10 173.73 2f3c n SER 18 N -2.72 0.70 -0.29 1.64 3.41 0.14 -1.06 113.62 115.44 2f3c n SER 18 Ca 0.06 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 2f3c n SER 18 Cb 0.54 -0.82 0.62 0.00 -0.26 0.00 0.00 64.21 64.29 2f3c n SER 18 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2f3c n ASP 19 N -2.27 0.89 -0.31 4.04 5.75 -1.26 -4.92 116.55 118.47 2f3c n ASP 19 Ca 0.02 -1.39 -0.04 0.00 -0.01 0.00 0.00 54.79 53.37 2f3c n ASP 19 Cb 0.23 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 2f3c n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f3c n GLY 20 N 1.06 0.69 3.84 6.12 0.00 -0.22 -5.02 105.19 111.67 2f3c n GLY 20 Ca 0.19 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2f3c n GLY 20 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f3c s ASN 21 N -2.65 6.46 -0.06 1.61 0.01 -1.26 -4.82 114.94 114.23 2f3c s ASN 21 Ca 0.00 0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 52.40 2f3c s ASN 21 Cb 0.00 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 2f3c s ASN 21 CO 0.00 0.35 1.11 -0.89 -1.51 0.00 0.00 177.10 176.15 2f3c s THR 22 N -0.78 4.49 -0.03 1.60 2.01 -1.26 -0.64 115.64 121.03 2f3c s THR 22 Ca 0.16 1.79 -0.01 0.00 0.31 0.00 0.00 61.69 63.94 2f3c s THR 22 Cb -0.13 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2f3c s THR 22 CO 0.05 0.02 0.08 -0.31 -0.69 0.00 0.00 174.62 173.77 2f3c s TYR 23 N 1.98 3.30 0.33 4.92 2.02 0.45 -4.93 117.35 125.42 2f3c s TYR 23 Ca 0.53 0.24 0.06 0.00 -0.37 0.00 0.00 57.07 57.52 2f3c s TYR 23 Cb -0.22 -1.77 0.58 0.00 -0.40 0.00 0.00 41.96 40.15 2f3c s TYR 23 CO 0.21 0.56 1.82 0.77 -1.57 0.00 0.00 175.55 177.34 2f3c h SER 24 N 4.35 0.37 -5.12 2.29 0.02 -1.86 0.15 113.55 113.75 2f3c h SER 24 Ca -0.50 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.31 2f3c h SER 24 Cb 1.19 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.52 2f3c h SER 24 CO 0.61 0.57 -0.05 0.54 -1.14 0.00 0.00 176.83 177.35 2f3c s ASN 25 N -6.82 -0.19 0.43 3.07 2.20 -1.25 0.54 114.94 112.92 2f3c s ASN 25 Ca -0.06 -0.55 0.25 0.00 -0.94 0.00 0.00 52.86 51.55 2f3c s ASN 25 Cb 0.15 0.54 1.27 0.00 -2.00 0.00 0.00 41.25 41.20 2f3c s ASN 25 CO 0.76 -1.00 1.74 -0.65 -2.94 0.00 0.00 177.10 175.01 2f3c h PRO 26 N 2.29 0.24 -0.33 3.55 0.11 -1.87 -0.84 132.00 135.14 2f3c h PRO 26 Ca -0.30 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 2f3c h PRO 26 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2f3c h PRO 26 CO 0.40 0.16 -0.19 0.00 -0.21 0.00 0.00 178.00 178.16 2f3c h THR 28 N 0.49 1.35 0.04 0.00 1.35 -1.57 0.46 112.91 115.03 2f3c h THR 28 Ca 0.07 -1.71 0.02 0.00 -0.55 0.00 0.00 66.41 64.25 2f3c h THR 28 Cb 0.73 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.96 2f3c h THR 28 CO 0.05 0.50 -0.20 0.25 -0.25 0.00 0.00 175.52 175.87 2f3c h LEU 29 N 0.14 -0.58 -1.34 3.87 6.46 -1.11 -1.57 115.31 121.18 2f3c h LEU 29 Ca 0.01 0.08 0.15 0.00 -0.12 0.00 0.00 57.88 58.00 2f3c h LEU 29 Cb 0.92 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 2f3c h LEU 29 CO 0.07 -0.28 0.57 -0.78 -0.62 0.00 0.00 178.44 177.41 2f3c h ASP 30 N -0.35 0.59 -0.18 1.25 1.82 -0.11 -1.41 116.42 118.03 2f3c h ASP 30 Ca 0.05 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 2f3c h ASP 30 Cb 0.40 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 2f3c h ASP 30 CO -0.16 0.29 -0.21 0.00 -1.61 0.00 0.00 179.24 177.55 2f3c h ALA 32 N 0.62 1.03 -0.20 0.00 0.00 -0.65 0.13 119.26 120.20 2f3c h ALA 32 Ca 0.03 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2f3c h ALA 32 Cb 0.76 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2f3c h ALA 32 CO 0.05 0.50 -0.07 -0.22 0.00 0.00 0.00 179.25 179.51 2f3c h LYS 33 N 1.11 -0.03 0.00 0.00 3.64 -1.30 -1.42 116.57 118.57 2f3c h LYS 33 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2f3c h LYS 33 Cb -0.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2f3c h LYS 33 CO -0.05 -0.02 0.00 0.45 -2.27 0.00 0.00 179.45 177.55 2f3c h HIS 34 N -0.04 0.00 0.01 1.91 3.86 -0.43 -2.63 115.15 117.83 2f3c h HIS 34 Ca 0.10 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.95 2f3c h HIS 34 Cb 0.19 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 2f3c h HIS 34 CO -0.24 0.00 -2.23 0.39 0.86 0.00 0.00 177.93 176.71 2f3c n GLU 35 N -2.32 0.68 0.00 2.45 1.02 0.38 -4.89 120.64 117.96 2f3c n GLU 35 Ca 0.03 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2f3c n GLU 35 Cb 0.30 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2f3c n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f3c n GLY 36 N 1.85 0.71 2.54 0.62 0.00 -0.58 -5.06 105.19 105.27 2f3c n GLY 36 Ca -0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2f3c n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3c s LYS 37 N 0.00 1.36 0.35 1.61 1.02 -0.93 -4.99 119.74 118.16 2f3c s LYS 37 Ca 0.00 -2.47 0.03 0.00 0.02 0.00 0.00 55.97 53.55 2f3c s LYS 37 Cb 0.00 -1.99 0.65 0.00 -0.52 0.00 0.00 37.83 35.96 2f3c s LYS 37 CO 0.00 -1.36 1.99 -1.35 -0.92 0.00 0.00 175.35 173.71 2f3c h PRO 38 N 5.56 0.83 -0.11 -1.68 0.11 -1.86 0.26 132.00 135.10 2f3c h PRO 38 Ca 0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2f3c h PRO 38 Cb 0.86 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2f3c h PRO 38 CO 0.47 0.55 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 2f3c n ASP 39 N -4.45 0.79 -4.72 -2.05 3.85 -1.26 -4.86 116.55 103.84 2f3c n ASP 39 Ca 0.08 -1.77 -0.42 0.00 -0.71 0.00 0.00 54.79 51.98 2f3c n ASP 39 Cb 0.09 -0.07 -0.03 0.00 -1.35 0.00 0.00 41.12 39.76 2f3c n ASP 39 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 2f3c s LEU 40 N -1.30 4.39 0.01 -2.12 2.96 0.08 -4.91 118.68 117.79 2f3c s LEU 40 Ca 0.20 2.27 -0.02 0.00 -0.22 0.00 0.00 54.13 56.36 2f3c s LEU 40 Cb 0.10 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2f3c s LEU 40 CO 0.16 -0.55 0.03 -0.69 -1.32 0.00 0.00 176.35 173.98 2f3c s VAL 41 N 0.72 0.08 -0.21 1.68 1.01 -1.26 -4.88 120.40 117.53 2f3c s VAL 41 Ca 0.60 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.67 2f3c s VAL 41 Cb -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2f3c s VAL 41 CO 0.33 -0.34 1.10 -1.58 0.00 0.00 0.00 175.10 174.60 2f3c s GLN 42 N -1.06 4.25 -0.10 2.72 0.74 -1.26 0.23 119.66 125.18 2f3c s GLN 42 Ca -0.12 1.44 -0.26 0.00 0.05 0.00 0.00 55.36 56.47 2f3c s GLN 42 Cb -0.07 -3.67 -0.28 0.00 1.10 0.00 0.00 33.01 30.09 2f3c s GLN 42 CO -0.00 -0.65 0.81 0.28 -0.55 0.00 0.00 175.29 175.18 2f3c h VAL 43 N 5.46 1.67 -2.67 1.34 2.07 -0.73 -3.47 116.25 119.92 2f3c h VAL 43 Ca -0.21 -2.42 0.08 0.00 0.82 0.00 0.00 66.70 64.96 2f3c h VAL 43 Cb 1.07 3.31 -0.10 0.00 -1.52 0.00 0.00 31.29 34.05 2f3c h VAL 43 CO 0.98 0.65 0.35 -1.38 0.02 0.00 0.00 177.57 178.19 2f3c s HIS 44 N -2.31 -0.32 0.77 1.57 0.00 -1.22 -5.03 115.29 108.75 2f3c s HIS 44 Ca -0.17 0.04 -0.11 0.00 -3.00 0.00 0.00 55.06 51.82 2f3c s HIS 44 Cb -0.01 0.61 0.05 0.00 -4.00 0.00 0.00 32.58 29.23 2f3c s HIS 44 CO 0.75 -0.86 1.08 -1.21 -1.00 0.00 0.00 174.74 173.50 2f3c s GLU 45 N -3.53 2.31 0.03 -0.38 2.02 -1.26 -0.50 118.70 117.40 2f3c s GLU 45 Ca 0.07 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2f3c s GLU 45 Cb -0.02 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2f3c s GLU 45 CO -0.04 -1.52 0.00 0.41 0.02 0.00 0.00 175.26 174.14 2f3c n GLY 46 N -1.79 -2.19 3.72 -1.39 0.00 0.64 -4.69 105.19 99.50 2f3c n GLY 46 Ca 0.08 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 2f3c n GLY 46 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2f3c s PRO 47 N -2.38 2.29 0.72 1.61 0.02 -1.26 -2.83 135.00 133.18 2f3c s PRO 47 Ca 0.00 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 2f3c s PRO 47 Cb 0.00 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.72 2f3c s PRO 47 CO 0.00 -1.76 1.14 0.00 -0.33 0.00 0.00 177.00 176.05 2f3c s ASP 49 N -2.55 7.04 0.00 0.00 -1.08 -1.26 -4.91 116.67 113.91 2f3c s ASP 49 Ca 0.68 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 2f3c s ASP 49 Cb -0.23 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 2f3c s ASP 49 CO 0.46 -0.56 0.03 -2.65 0.52 0.00 0.00 175.17 172.97