#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyy s ALA 1 N 0.00 3.64 0.04 3.04 0.00 -1.26 -4.84 121.76 122.38 3kyy s ALA 1 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.19 3kyy s ALA 1 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 3kyy s ALA 1 CO 0.00 -0.19 -0.25 0.15 0.00 0.00 0.00 175.76 175.48 3kyy s LYS 2 N -4.47 1.68 -0.03 0.00 1.02 -1.26 -1.44 119.74 115.23 3kyy s LYS 2 Ca 0.44 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.40 3kyy s LYS 2 Cb -0.10 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3kyy s LYS 2 CO 0.38 0.47 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.61 3kyy s TRP 3 N -0.80 1.02 -0.09 3.18 0.52 -0.19 -0.61 118.94 121.98 3kyy s TRP 3 Ca 0.10 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.93 3kyy s TRP 3 Cb -0.10 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 3kyy s TRP 3 CO 0.02 -0.10 0.08 0.54 0.02 0.00 0.00 176.95 177.50 3kyy s VAL 4 N 0.16 4.92 -0.31 4.03 0.11 0.03 -0.31 120.40 129.02 3kyy s VAL 4 Ca -0.03 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 3kyy s VAL 4 Cb -0.09 -3.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 3kyy s VAL 4 CO 0.01 0.57 1.22 0.00 -3.33 0.00 0.00 175.10 173.56 3kyy n LYS 6 N 7.19 0.17 -0.08 0.00 5.02 -0.10 -1.27 118.16 129.08 3kyy n LYS 6 Ca 0.14 0.40 -0.15 0.00 -2.02 0.00 0.00 58.31 56.67 3kyy n LYS 6 Cb 0.47 -1.82 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 3kyy n LYS 6 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kyy h ILE 7 N 0.00 1.33 0.00 -0.18 1.08 -1.91 -3.43 117.51 114.40 3kyy h ILE 7 Ca 0.00 -2.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 3kyy h ILE 7 Cb 0.34 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 3kyy h ILE 7 CO 0.00 0.45 -0.62 0.00 -0.69 0.00 0.00 178.15 177.29 3kyy n GLY 9 N 1.48 0.75 3.74 0.00 0.00 -0.40 -5.04 105.19 105.72 3kyy n GLY 9 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3kyy n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kyy n TYR 10 N -2.06 2.69 -3.82 1.61 9.36 -1.26 -4.72 117.16 118.96 3kyy n TYR 10 Ca 0.00 0.49 -0.36 0.00 3.32 0.00 0.00 57.90 61.35 3kyy n TYR 10 Cb 0.00 -2.48 -0.13 0.00 -0.63 0.00 0.00 39.34 36.10 3kyy n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3kyy s ILE 11 N -1.11 3.79 -0.38 2.97 -1.09 -1.26 -0.70 121.20 123.42 3kyy s ILE 11 Ca 0.54 -0.49 -0.28 0.00 -2.23 0.00 0.00 60.65 58.19 3kyy s ILE 11 Cb -0.51 -2.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 3kyy s ILE 11 CO 0.63 0.28 1.04 -0.47 -1.23 0.00 0.00 174.94 175.19 3kyy s TYR 12 N 1.52 3.03 -0.32 3.97 5.04 0.58 -4.92 117.35 126.24 3kyy s TYR 12 Ca 0.05 0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 55.50 3kyy s TYR 12 Cb -0.15 -3.88 0.01 0.00 0.35 0.00 0.00 41.96 38.28 3kyy s TYR 12 CO 0.00 -0.93 0.15 0.34 -1.34 0.00 0.00 175.55 173.78 3kyy s ASP 13 N 1.95 5.51 0.53 4.32 -1.08 -1.26 -1.02 116.67 125.61 3kyy s ASP 13 Ca 0.44 -0.70 0.21 0.00 -0.52 0.00 0.00 52.55 51.98 3kyy s ASP 13 Cb -0.11 -1.98 1.35 0.00 -1.46 0.00 0.00 42.92 40.72 3kyy s ASP 13 CO 0.21 -0.25 2.08 -0.33 0.52 0.00 0.00 175.17 177.40 3kyy h GLU 14 N 8.34 0.00 0.00 4.34 5.08 -1.51 -0.01 114.58 130.83 3kyy h GLU 14 Ca -0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3kyy h GLU 14 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3kyy h GLU 14 CO 0.63 0.00 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.90 3kyy h ASP 15 N 0.00 0.00 0.45 1.42 3.32 -1.89 0.19 116.42 119.91 3kyy h ASP 15 Ca 0.12 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.95 3kyy h ASP 15 Cb 0.50 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3kyy h ASP 15 CO -0.00 0.29 -1.74 0.00 -1.72 0.00 0.00 179.24 176.08 3kyy n ALA 16 N -2.33 1.82 -0.94 3.45 0.00 -0.15 -3.80 120.51 118.56 3kyy n ALA 16 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3kyy n ALA 16 Cb 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3kyy n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyy n GLY 17 N 1.49 1.21 2.59 0.00 0.00 -0.43 -3.99 105.19 106.07 3kyy n GLY 17 Ca -0.16 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 3kyy n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kyy n ASP 18 N -2.27 -1.87 0.17 1.61 2.03 -0.34 -4.68 116.55 111.21 3kyy n ASP 18 Ca 0.00 -3.27 0.03 0.00 0.52 0.00 0.00 54.79 52.08 3kyy n ASP 18 Cb 0.00 1.19 0.41 0.00 -0.72 0.00 0.00 41.12 42.00 3kyy n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kyy h PRO 19 N 3.67 0.08 0.00 -0.67 0.11 -1.60 -0.96 132.00 132.63 3kyy h PRO 19 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3kyy h PRO 19 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3kyy h PRO 19 CO 0.32 0.31 0.00 -0.44 -0.21 0.00 0.00 178.00 177.98 3kyy h ASP 20 N 0.08 0.00 0.00 -2.05 3.32 -1.96 -2.22 116.42 113.59 3kyy h ASP 20 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kyy h ASP 20 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3kyy h ASP 20 CO 0.03 0.00 -0.36 0.59 -1.72 0.00 0.00 179.24 177.78 3kyy n ASN 21 N -2.36 1.87 0.00 6.45 3.02 -0.45 -4.98 115.26 118.81 3kyy n ASN 21 Ca 0.00 -3.59 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 3kyy n ASN 21 Cb 0.16 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 3kyy n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kyy n GLY 22 N -1.17 0.75 3.09 7.41 0.00 -0.84 -5.04 105.19 109.39 3kyy n GLY 22 Ca 0.18 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3kyy n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyy s ILE 23 N -2.00 2.21 0.61 -0.61 -1.09 -0.68 -4.97 121.20 114.66 3kyy s ILE 23 Ca 0.00 -1.48 -0.16 0.00 -2.23 0.00 0.00 60.65 56.78 3kyy s ILE 23 Cb 0.00 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.62 3kyy s ILE 23 CO 0.00 0.08 1.08 -0.94 -1.23 0.00 0.00 174.94 173.93 3kyy s SER 24 N 1.15 5.57 0.37 3.58 1.04 -1.26 -1.19 113.70 122.95 3kyy s SER 24 Ca -0.06 1.93 -0.27 0.00 0.48 0.00 0.00 55.95 58.03 3kyy s SER 24 Cb -0.19 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.27 3kyy s SER 24 CO -0.06 -1.31 1.21 -2.65 0.98 0.00 0.00 173.24 171.40 3kyy n PRO 25 N -2.03 1.86 -0.44 4.02 -0.02 -1.26 -2.76 135.00 134.37 3kyy n PRO 25 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kyy n PRO 25 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kyy n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyy n GLY 26 N 0.90 0.77 3.63 -1.23 0.00 0.65 -4.87 105.19 105.05 3kyy n GLY 26 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kyy n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kyy s THR 27 N -2.10 4.85 0.56 2.61 2.01 -1.11 -4.97 115.64 117.49 3kyy s THR 27 Ca 0.00 1.39 -0.19 0.00 0.31 0.00 0.00 61.69 63.20 3kyy s THR 27 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 3kyy s THR 27 CO 0.00 -0.10 1.17 -0.54 -0.69 0.00 0.00 174.62 174.46 3kyy s LYS 28 N 2.82 3.20 0.26 4.92 1.02 -1.26 -4.63 119.74 126.06 3kyy s LYS 28 Ca 0.33 1.73 -0.02 0.00 0.02 0.00 0.00 55.97 58.02 3kyy s LYS 28 Cb -0.15 -1.99 0.45 0.00 -0.52 0.00 0.00 37.83 35.62 3kyy s LYS 28 CO 0.09 -1.00 1.81 0.35 -0.92 0.00 0.00 175.35 175.68 3kyy h PHE 29 N 1.10 0.93 0.00 3.18 3.57 -1.95 0.17 116.94 123.94 3kyy h PHE 29 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3kyy h PHE 29 Cb 1.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3kyy h PHE 29 CO 0.49 0.37 0.00 0.93 -2.23 0.00 0.00 178.31 177.87 3kyy h GLU 30 N 0.84 0.00 -0.01 1.11 3.07 -2.02 -2.14 114.58 115.43 3kyy h GLU 30 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3kyy h GLU 30 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3kyy h GLU 30 CO -0.26 0.00 -0.35 0.39 -1.40 0.00 0.00 179.01 177.38 3kyy n GLU 31 N -3.03 0.56 -2.04 2.33 1.02 0.04 -4.91 120.64 114.61 3kyy n GLU 31 Ca -0.01 -0.33 -0.39 0.00 -0.02 0.00 0.00 57.16 56.40 3kyy n GLU 31 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3kyy n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kyy s LEU 32 N -2.67 4.09 0.74 -4.62 1.43 -0.81 -4.95 118.68 111.89 3kyy s LEU 32 Ca 0.20 2.60 -0.15 0.00 -1.03 0.00 0.00 54.13 55.74 3kyy s LEU 32 Cb 0.19 -4.06 0.01 0.00 0.03 0.00 0.00 46.19 42.35 3kyy s LEU 32 CO 0.59 -1.03 0.87 -2.65 0.23 0.00 0.00 176.35 174.35 3kyy n PRO 33 N -0.27 0.38 0.24 1.29 -0.02 -1.26 -4.86 135.00 130.49 3kyy n PRO 33 Ca 0.06 0.18 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3kyy n PRO 33 Cb 0.45 -2.14 0.58 0.00 -0.02 0.00 0.00 33.50 32.37 3kyy n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kyy h ASP 34 N -0.43 0.00 -0.74 2.55 5.19 -1.97 -1.90 116.42 119.12 3kyy h ASP 34 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3kyy h ASP 34 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3kyy h ASP 34 CO 0.45 0.19 0.00 -0.90 -3.12 0.00 0.00 179.24 175.86 3kyy n ASP 35 N -3.95 4.07 -4.77 6.45 5.75 -1.26 -4.84 116.55 117.99 3kyy n ASP 35 Ca -0.02 -2.05 -0.41 0.00 -0.01 0.00 0.00 54.79 52.31 3kyy n ASP 35 Cb 0.27 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.84 3kyy n ASP 35 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3kyy s TRP 36 N -1.10 2.93 0.24 2.11 -0.00 -0.72 -5.03 118.94 117.37 3kyy s TRP 36 Ca 0.50 1.36 0.03 0.00 -0.00 0.00 0.00 56.10 58.00 3kyy s TRP 36 Cb 0.27 -3.75 -0.05 0.00 -0.00 0.00 0.00 33.47 29.93 3kyy s TRP 36 CO 0.33 -2.12 0.00 0.14 -0.00 0.00 0.00 176.95 175.31 3kyy s VAL 37 N -1.15 1.03 0.07 5.86 -7.23 -1.26 -4.15 120.40 113.56 3kyy s VAL 37 Ca 0.51 -2.03 -0.34 0.00 -1.81 0.00 0.00 61.98 58.30 3kyy s VAL 37 Cb -0.41 -2.37 -0.14 0.00 0.56 0.00 0.00 36.38 34.02 3kyy s VAL 37 CO 0.55 -0.30 1.65 0.00 -0.31 0.00 0.00 175.10 176.69 3kyy n PRO 39 N 4.34 0.17 -0.10 0.00 -0.04 -1.26 -1.26 135.00 136.85 3kyy n PRO 39 Ca 0.19 0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.87 3kyy n PRO 39 Cb 0.28 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 31.86 3kyy n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kyy n ILE 40 N -2.12 1.49 0.41 0.52 2.08 -1.26 -4.75 119.36 115.72 3kyy n ILE 40 Ca 0.03 0.03 0.05 0.00 0.56 0.00 0.00 62.75 63.42 3kyy n ILE 40 Cb 0.24 -2.18 -0.06 0.00 -0.75 0.00 0.00 39.64 36.89 3kyy n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kyy n GLY 42 N 1.34 0.72 3.77 0.00 0.00 -0.39 -4.99 105.19 105.63 3kyy n GLY 42 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3kyy n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyy s ALA 43 N -2.59 3.20 0.90 4.61 0.00 -1.26 -4.49 121.76 122.12 3kyy s ALA 43 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3kyy s ALA 43 Cb 0.00 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.75 3kyy s ALA 43 CO 0.00 -0.89 1.10 -1.25 0.00 0.00 0.00 175.76 174.72 3kyy s PRO 44 N -2.35 1.27 0.58 0.00 0.04 -1.26 -0.76 135.00 132.52 3kyy s PRO 44 Ca 0.59 0.61 0.28 0.00 0.04 0.00 0.00 61.00 62.52 3kyy s PRO 44 Cb -0.38 -1.83 1.64 0.00 0.04 0.00 0.00 34.50 33.97 3kyy s PRO 44 CO 0.48 -2.18 2.11 0.87 0.04 0.00 0.00 177.00 178.32 3kyy h LYS 45 N -1.49 0.00 -0.03 4.56 1.57 -1.89 -1.35 116.57 117.94 3kyy h LYS 45 Ca -0.50 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3kyy h LYS 45 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 3kyy h LYS 45 CO 0.58 0.00 0.08 0.66 -0.57 0.00 0.00 179.45 180.19 3kyy h SER 46 N 0.00 0.00 -0.51 0.86 4.64 -1.96 -2.45 113.55 114.13 3kyy h SER 46 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3kyy h SER 46 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kyy h SER 46 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3kyy n GLU 47 N -3.31 2.53 -4.00 4.77 -0.58 -0.51 -4.90 120.64 114.66 3kyy n GLU 47 Ca -0.02 -1.98 -0.31 0.00 -0.42 0.00 0.00 57.16 54.43 3kyy n GLU 47 Cb 0.15 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 3kyy n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kyy s PHE 48 N -1.48 3.34 -0.02 -0.32 0.40 -0.93 -0.92 117.98 118.05 3kyy s PHE 48 Ca 0.36 0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.89 3kyy s PHE 48 Cb 0.21 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 3kyy s PHE 48 CO 0.22 0.56 -0.13 -2.00 0.70 0.00 0.00 175.22 174.57 3kyy s GLU 49 N -2.36 1.21 0.20 0.44 2.12 -0.47 -4.94 118.70 114.90 3kyy s GLU 49 Ca 0.31 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 3kyy s GLU 49 Cb -0.13 -1.12 -0.08 0.00 0.26 0.00 0.00 34.13 33.06 3kyy s GLU 49 CO 0.24 0.21 1.14 0.21 -0.54 0.00 0.00 175.26 176.51 3kyy s LYS 50 N -0.03 4.56 -0.79 4.30 2.20 -1.26 -0.79 119.74 127.93 3kyy s LYS 50 Ca -0.00 1.80 -0.20 0.00 -0.36 0.00 0.00 55.97 57.20 3kyy s LYS 50 Cb -0.08 -3.24 0.10 0.00 -1.51 0.00 0.00 37.83 33.10 3kyy s LYS 50 CO 0.01 0.04 1.02 -0.51 -0.36 0.00 0.00 175.35 175.55 3kyy s LEU 51 N -0.58 4.82 -0.16 5.43 1.43 0.22 -4.88 118.68 124.96 3kyy s LEU 51 Ca 0.49 -1.57 -0.34 0.00 -1.03 0.00 0.00 54.13 51.68 3kyy s LEU 51 Cb -0.31 -2.40 0.13 0.00 0.03 0.00 0.00 46.19 43.64 3kyy s LEU 51 CO 0.37 -1.22 1.18 -1.83 0.23 0.00 0.00 176.35 175.08 3kyy s GLU 52 N 3.23 0.36 0.00 1.70 -1.05 -1.26 -4.65 118.70 117.03 3kyy s GLU 52 Ca 0.27 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 3kyy s GLU 52 Cb -0.11 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.74 3kyy s GLU 52 CO -0.00 -0.16 0.00 -0.40 0.95 0.00 0.00 175.26 175.65