#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d65 s PRO 4 N 0.00 1.49 0.37 2.89 0.02 -1.26 -4.92 135.00 133.59 3d65 s PRO 4 Ca 0.00 1.65 0.05 0.00 0.02 0.00 0.00 61.00 62.72 3d65 s PRO 4 Cb 0.00 -1.77 0.72 0.00 0.02 0.00 0.00 34.50 33.47 3d65 s PRO 4 CO 0.00 -2.31 1.98 -0.44 -0.33 0.00 0.00 177.00 175.90 3d65 h ASP 5 N -1.21 0.51 0.00 2.53 3.32 -2.04 -2.87 116.42 116.66 3d65 h ASP 5 Ca -0.45 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3d65 h ASP 5 Cb 1.28 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3d65 h ASP 5 CO 0.45 0.46 0.01 2.19 -1.72 0.00 0.00 179.24 180.63 3d65 h PHE 6 N 0.58 0.00 0.00 4.55 -5.15 -1.97 -1.92 116.94 113.02 3d65 h PHE 6 Ca 0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 3d65 h PHE 6 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 3d65 h PHE 6 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3d65 h GLU 8 N 0.00 0.00 -7.01 0.00 4.39 -1.58 -3.43 114.58 106.95 3d65 h GLU 8 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 3d65 h GLU 8 Cb 0.12 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 28.88 3d65 h GLU 8 CO 0.00 0.00 0.61 -0.51 -1.16 0.00 0.00 179.01 177.95 3d65 s LEU 9 N -5.03 4.00 0.72 1.33 1.43 -0.35 -4.96 118.68 115.81 3d65 s LEU 9 Ca 0.04 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.71 3d65 s LEU 9 Cb 0.10 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.22 3d65 s LEU 9 CO 0.73 -1.25 1.11 -2.16 0.23 0.00 0.00 176.35 175.01 3d65 s PRO 10 N -2.65 2.49 0.30 1.29 0.04 -1.26 -4.90 135.00 130.31 3d65 s PRO 10 Ca 0.65 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 3d65 s PRO 10 Cb -0.39 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 3d65 s PRO 10 CO 0.47 -1.48 1.53 0.00 0.04 0.00 0.00 177.00 177.56 3d65 n ALA 11 N -2.95 2.22 -3.70 8.56 0.00 -1.26 -4.91 120.51 118.47 3d65 n ALA 11 Ca 0.10 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 3d65 n ALA 11 Cb 0.52 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.41 3d65 n ALA 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d65 s ASP 12 N 0.30 3.62 0.56 0.00 2.15 -1.26 -4.99 116.67 117.06 3d65 s ASP 12 Ca 0.62 -1.34 0.31 0.00 0.43 0.00 0.00 52.55 52.57 3d65 s ASP 12 Cb -0.52 -0.69 1.69 0.00 -0.30 0.00 0.00 42.92 43.10 3d65 s ASP 12 CO 0.52 -0.39 2.16 0.74 -0.17 0.00 0.00 175.17 178.03 3d65 h THR 13 N 6.48 0.42 -0.46 1.71 2.02 -1.94 -3.41 112.91 117.74 3d65 h THR 13 Ca -0.16 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.76 3d65 h THR 13 Cb 1.04 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3d65 h THR 13 CO 0.43 0.06 -0.10 0.61 0.37 0.00 0.00 175.52 176.89 3d65 n GLY 14 N -0.85 -1.68 0.10 2.16 0.00 -1.26 -0.65 105.19 103.01 3d65 n GLY 14 Ca -0.02 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 3d65 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d65 h PRO 15 N -0.19 0.00 -7.09 1.61 0.13 -1.95 -3.44 132.00 121.07 3d65 h PRO 15 Ca -0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3d65 h PRO 15 Cb 0.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.42 3d65 h PRO 15 CO 0.00 0.58 0.47 0.00 -0.23 0.00 0.00 178.00 178.83 3d65 n ARG 17 N -1.51 2.26 -1.52 0.00 1.74 -1.26 -4.32 116.66 112.05 3d65 n ARG 17 Ca 0.13 -3.27 -0.31 0.00 -0.77 0.00 0.00 57.85 53.63 3d65 n ARG 17 Cb 0.50 -2.04 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 3d65 n ARG 17 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d65 s VAL 18 N -3.65 3.78 -0.38 1.55 1.01 -1.02 -5.06 120.40 116.64 3d65 s VAL 18 Ca 0.52 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 3d65 s VAL 18 Cb 0.44 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.60 3d65 s VAL 18 CO 0.03 -0.73 0.22 -0.60 0.00 0.00 0.00 175.10 174.02 3d65 s ARG 19 N -4.89 2.87 -0.32 2.72 3.52 -1.26 -4.11 118.95 117.47 3d65 s ARG 19 Ca 0.60 -1.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3d65 s ARG 19 Cb -0.15 -3.76 0.09 0.00 -1.56 0.00 0.00 34.95 29.57 3d65 s ARG 19 CO 0.53 -0.70 0.04 -0.06 -0.81 0.00 0.00 175.30 174.31 3d65 s PHE 20 N 1.57 3.26 0.11 5.12 0.40 -0.13 -5.01 117.98 123.30 3d65 s PHE 20 Ca 0.02 -2.64 -0.34 0.00 -0.60 0.00 0.00 56.93 53.37 3d65 s PHE 20 Cb -0.19 -2.54 -0.13 0.00 0.51 0.00 0.00 43.02 40.66 3d65 s PHE 20 CO 0.07 -0.92 1.64 -2.30 0.70 0.00 0.00 175.22 174.41 3d65 n PRO 21 N 4.40 2.16 -4.10 0.24 -0.02 -1.26 -1.27 135.00 135.15 3d65 n PRO 21 Ca 0.01 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 3d65 n PRO 21 Cb 0.42 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3d65 n PRO 21 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d65 s SER 22 N 1.54 0.55 0.03 2.55 0.01 -0.59 -4.87 113.70 112.92 3d65 s SER 22 Ca 0.81 -1.34 0.04 0.00 1.31 0.00 0.00 55.95 56.78 3d65 s SER 22 Cb -0.68 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 3d65 s SER 22 CO 0.40 -1.14 -0.13 -0.36 0.41 0.00 0.00 173.24 172.42 3d65 s PHE 23 N -3.58 1.14 0.04 2.43 0.40 0.02 -1.23 117.98 117.21 3d65 s PHE 23 Ca 0.31 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3d65 s PHE 23 Cb 0.01 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 3d65 s PHE 23 CO 0.16 0.02 -0.04 1.52 0.70 0.00 0.00 175.22 177.58 3d65 s TYR 24 N -0.80 0.49 -0.18 0.36 -0.85 -0.11 -0.53 117.35 115.72 3d65 s TYR 24 Ca 0.01 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 55.60 3d65 s TYR 24 Cb -0.07 -0.32 -0.01 0.00 0.38 0.00 0.00 41.96 41.93 3d65 s TYR 24 CO 0.01 -0.21 0.86 -0.47 -1.52 0.00 0.00 175.55 174.22 3d65 s TYR 25 N -2.31 3.40 -0.48 -3.49 6.14 -1.26 -0.83 117.35 118.51 3d65 s TYR 25 Ca -0.06 1.27 -0.15 0.00 0.64 0.00 0.00 57.07 58.77 3d65 s TYR 25 Cb -0.04 -3.05 0.08 0.00 0.42 0.00 0.00 41.96 39.37 3d65 s TYR 25 CO -0.03 -0.28 0.41 1.21 0.64 0.00 0.00 175.55 177.49 3d65 s ASN 26 N 1.18 6.15 0.41 4.32 3.84 -0.22 -4.79 114.94 125.82 3d65 s ASN 26 Ca 0.39 -1.38 0.08 0.00 0.21 0.00 0.00 52.86 52.16 3d65 s ASN 26 Cb -0.16 -2.19 0.86 0.00 -0.55 0.00 0.00 41.25 39.21 3d65 s ASN 26 CO 0.11 -0.67 2.03 -0.65 -2.79 0.00 0.00 177.10 175.14 3d65 h PRO 27 N 8.77 0.45 0.00 0.43 0.11 -1.84 -0.15 132.00 139.76 3d65 h PRO 27 Ca -0.29 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 3d65 h PRO 27 Cb 1.11 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3d65 h PRO 27 CO 0.90 0.35 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.41 3d65 h ASP 28 N 0.45 0.00 -0.02 -2.05 3.32 -1.95 -2.66 116.42 113.52 3d65 h ASP 28 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3d65 h ASP 28 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3d65 h ASP 28 CO -0.02 0.18 -0.03 -0.62 -1.72 0.00 0.00 179.24 177.03 3d65 n GLU 29 N -3.46 1.31 -2.88 3.56 1.02 -1.00 -4.99 120.64 114.19 3d65 n GLU 29 Ca -0.01 -1.39 -0.15 0.00 -0.02 0.00 0.00 57.16 55.59 3d65 n GLU 29 Cb 0.36 -1.30 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 3d65 n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d65 n LYS 30 N 0.80 -2.78 -4.00 3.49 4.76 -0.10 -4.94 118.16 115.38 3d65 n LYS 30 Ca 0.09 0.42 -0.10 0.00 -2.87 0.00 0.00 58.31 55.86 3d65 n LYS 30 Cb 0.40 -5.05 -0.07 0.00 -1.84 0.00 0.00 35.03 28.47 3d65 n LYS 30 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3d65 s LYS 31 N -5.48 1.34 -0.09 1.97 -2.85 -1.14 -4.99 119.74 108.50 3d65 s LYS 31 Ca 0.18 -1.27 -0.26 0.00 -1.00 0.00 0.00 55.97 53.63 3d65 s LYS 31 Cb -0.10 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.05 3d65 s LYS 31 CO 0.23 -0.52 0.84 0.00 0.10 0.00 0.00 175.35 176.00 3d65 s LEU 33 N 1.44 2.60 0.35 0.00 1.43 -0.01 -4.91 118.68 119.57 3d65 s LEU 33 Ca 0.42 -0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 52.34 3d65 s LEU 33 Cb -0.18 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 3d65 s LEU 33 CO 0.18 0.07 1.18 -1.61 0.23 0.00 0.00 176.35 176.41 3d65 s GLU 34 N -3.14 4.28 0.18 1.70 2.02 -1.26 -0.94 118.70 121.53 3d65 s GLU 34 Ca 0.26 1.92 -0.09 0.00 0.02 0.00 0.00 54.97 57.08 3d65 s GLU 34 Cb -0.06 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 3d65 s GLU 34 CO 0.13 -0.15 0.30 -0.59 0.02 0.00 0.00 175.26 174.97 3d65 s PHE 35 N -1.29 0.44 -0.26 1.61 -0.12 -0.36 -4.88 117.98 113.12 3d65 s PHE 35 Ca 0.52 -0.80 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 3d65 s PHE 35 Cb -0.33 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 3d65 s PHE 35 CO 0.42 -0.75 0.10 -1.50 -0.05 0.00 0.00 175.22 173.45 3d65 s ILE 36 N -3.99 4.55 -0.10 -4.49 1.10 -1.26 -1.54 121.20 115.48 3d65 s ILE 36 Ca 0.19 -0.11 -0.18 0.00 -0.51 0.00 0.00 60.65 60.03 3d65 s ILE 36 Cb 0.03 -3.15 -0.04 0.00 0.15 0.00 0.00 42.46 39.44 3d65 s ILE 36 CO 0.02 0.30 0.50 -0.47 -2.11 0.00 0.00 174.94 173.17 3d65 s TYR 37 N 1.65 3.54 -1.41 3.50 5.04 -0.39 -4.43 117.35 124.85 3d65 s TYR 37 Ca 0.06 0.94 0.30 0.00 -2.44 0.00 0.00 57.07 55.93 3d65 s TYR 37 Cb -0.15 -2.56 1.41 0.00 0.35 0.00 0.00 41.96 41.01 3d65 s TYR 37 CO 0.05 0.21 1.99 0.41 -1.34 0.00 0.00 175.55 176.87 3d65 n GLY 38 N 3.11 -1.24 0.00 8.97 0.00 0.18 -0.96 105.19 115.24 3d65 n GLY 38 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3d65 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d65 n GLY 39 N 1.31 2.07 3.08 -0.02 0.00 -1.26 -2.42 105.19 107.95 3d65 n GLY 39 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3d65 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d65 n GLU 41 N 0.94 0.00 0.00 0.00 1.02 -1.26 -4.24 120.64 117.09 3d65 n GLU 41 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3d65 n GLU 41 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3d65 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d65 n GLY 42 N 0.00 -1.30 2.20 0.62 0.00 -1.26 -4.91 105.19 100.54 3d65 n GLY 42 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 3d65 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d65 n ASN 43 N 0.19 -0.60 0.07 1.61 0.23 -1.26 -5.00 115.26 110.49 3d65 n ASN 43 Ca 0.00 -2.43 0.12 0.00 -0.53 0.00 0.00 54.58 51.74 3d65 n ASN 43 Cb 0.00 1.29 0.46 0.00 -2.08 0.00 0.00 39.78 39.45 3d65 n ASN 43 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d65 n ALA 44 N -1.45 1.98 -2.26 -2.53 0.00 -1.26 -4.25 120.51 110.73 3d65 n ALA 44 Ca -0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3d65 n ALA 44 Cb 0.41 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3d65 n ALA 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d65 n ASN 45 N -1.95 4.65 -3.15 0.00 5.15 -1.26 -4.78 115.26 113.93 3d65 n ASN 45 Ca 0.04 -2.96 0.05 0.00 -0.60 0.00 0.00 54.58 51.11 3d65 n ASN 45 Cb 0.30 -1.61 -0.01 0.00 -0.53 0.00 0.00 39.78 37.93 3d65 n ASN 45 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3d65 s ASN 46 N 2.61 -0.97 0.02 1.20 3.84 -1.25 -4.50 114.94 115.90 3d65 s ASN 46 Ca 0.45 0.48 0.05 0.00 0.21 0.00 0.00 52.86 54.05 3d65 s ASN 46 Cb 0.08 1.76 -0.02 0.00 -0.55 0.00 0.00 41.25 42.53 3d65 s ASN 46 CO -0.01 -0.18 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.60 3d65 s PHE 47 N 2.90 1.38 0.04 0.43 0.40 0.31 -4.96 117.98 118.48 3d65 s PHE 47 Ca 0.12 -0.31 0.15 0.00 -0.60 0.00 0.00 56.93 56.30 3d65 s PHE 47 Cb -0.11 -0.85 0.31 0.00 0.51 0.00 0.00 43.02 42.88 3d65 s PHE 47 CO -0.18 0.02 1.56 0.82 0.70 0.00 0.00 175.22 178.13 3d65 h ILE 48 N 4.61 1.00 -4.13 0.64 2.04 -1.89 0.10 117.51 119.87 3d65 h ILE 48 Ca -0.37 -2.06 -0.58 0.00 1.00 0.00 0.00 64.86 62.85 3d65 h ILE 48 Cb 1.17 2.25 -0.25 0.00 -0.74 0.00 0.00 36.82 39.25 3d65 h ILE 48 CO 0.46 0.50 -0.84 0.42 0.00 0.00 0.00 178.15 178.70 3d65 s THR 49 N -3.24 1.67 0.32 -0.27 -4.23 -1.26 -4.78 115.64 103.86 3d65 s THR 49 Ca 0.02 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3d65 s THR 49 Cb 0.10 -1.46 0.24 0.00 1.34 0.00 0.00 72.50 72.72 3d65 s THR 49 CO 0.73 0.17 1.96 0.50 -0.54 0.00 0.00 174.62 177.44 3d65 h LYS 50 N 4.76 0.91 -0.16 3.99 3.64 -1.96 -2.70 116.57 125.04 3d65 h LYS 50 Ca -0.43 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3d65 h LYS 50 Cb 1.16 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 3d65 h LYS 50 CO 0.43 0.64 -0.07 0.93 -2.27 0.00 0.00 179.45 179.12 3d65 h GLU 51 N 0.92 -0.04 -0.58 1.90 5.08 -2.00 -0.62 114.58 119.25 3d65 h GLU 51 Ca 0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 3d65 h GLU 51 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3d65 h GLU 51 CO -0.04 -0.03 -0.05 1.49 -1.00 0.00 0.00 179.01 179.37 3d65 h GLU 52 N -0.04 1.05 -0.27 2.33 4.81 -1.97 -0.71 114.58 119.79 3d65 h GLU 52 Ca 0.09 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3d65 h GLU 52 Cb 0.17 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3d65 h GLU 52 CO -0.19 1.06 0.02 0.00 -0.73 0.00 0.00 179.01 179.17 3d65 h GLU 54 N 0.11 0.06 -0.88 0.00 4.39 -0.99 -0.52 114.58 116.76 3d65 h GLU 54 Ca 0.13 -0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.98 3d65 h GLU 54 Cb 0.15 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.69 3d65 h GLU 54 CO -0.19 0.32 0.45 1.03 -1.16 0.00 0.00 179.01 179.45 3d65 h SER 55 N -0.20 0.51 0.33 1.42 0.87 -0.98 0.54 113.55 116.05 3d65 h SER 55 Ca 0.01 0.11 -0.33 0.00 -1.23 0.00 0.00 61.79 60.35 3d65 h SER 55 Cb 0.29 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3d65 h SER 55 CO 0.00 0.17 -1.60 0.74 -0.53 0.00 0.00 176.83 175.61 3d65 h THR 56 N 0.58 1.10 0.00 2.23 2.02 -0.89 -3.42 112.91 114.53 3d65 h THR 56 Ca 0.50 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3d65 h THR 56 Cb 0.79 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 3d65 h THR 56 CO -0.41 0.83 -0.99 0.00 0.37 0.00 0.00 175.52 175.32