#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.00 0.64 1.24 1.16 -1.26 -4.74 117.46 114.50 1uua n PHE 2 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.70 1uua n PHE 2 Cb 0.00 0.00 0.24 0.00 -1.61 0.00 0.00 39.48 38.11 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N -2.05 0.00 -4.94 0.00 -0.00 -1.26 -2.48 117.00 106.27 1uua n LEU 4 Ca 0.04 0.43 -0.25 0.00 -0.00 0.00 0.00 56.01 56.23 1uua n LEU 4 Cb 0.42 -0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 43.39 1uua n LEU 4 CO 0.35 -0.01 0.10 -1.61 -0.00 0.00 0.00 177.39 176.22 1uua s GLU 5 N -2.87 3.51 0.94 1.96 2.02 -1.24 -4.77 118.70 118.26 1uua s GLU 5 Ca 0.18 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.71 1uua s GLU 5 Cb 0.19 -2.75 0.16 0.00 0.10 0.00 0.00 34.13 31.83 1uua s GLU 5 CO 0.50 0.27 1.10 -2.14 0.02 0.00 0.00 175.26 175.01 1uua s PRO 6 N -3.85 0.87 0.24 0.39 0.02 -1.26 -4.63 135.00 126.78 1uua s PRO 6 Ca 0.39 0.60 -0.31 0.00 0.02 0.00 0.00 61.00 61.70 1uua s PRO 6 Cb -0.10 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 1uua s PRO 6 CO 0.32 -2.45 1.60 -0.35 -0.33 0.00 0.00 177.00 175.78 1uua n PRO 7 N -4.00 2.53 0.00 5.54 -0.04 -1.26 -4.92 135.00 132.85 1uua n PRO 7 Ca 0.06 0.91 0.13 0.00 -0.04 0.00 0.00 63.50 64.56 1uua n PRO 7 Cb 0.57 -2.68 0.40 0.00 -0.04 0.00 0.00 33.50 31.74 1uua n PRO 7 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uua n TYR 8 N 2.78 0.00 0.03 0.54 9.36 -1.26 -4.49 117.16 124.13 1uua n TYR 8 Ca 0.12 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.50 1uua n TYR 8 Cb 0.34 -0.01 0.28 0.00 -0.63 0.00 0.00 39.34 39.32 1uua n TYR 8 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1uua h THR 9 N 2.84 0.01 -0.07 2.97 2.02 -1.90 -3.46 112.91 115.32 1uua h THR 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1uua h THR 9 Cb 0.63 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1uua h THR 9 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1uua n GLY 10 N -1.61 0.99 0.29 2.16 0.00 -1.26 -2.61 105.19 103.15 1uua n GLY 10 Ca 0.13 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 0.00 1.23 -2.77 1.61 -0.05 -1.26 -4.88 135.00 128.88 1uua n PRO 11 Ca 0.00 -0.27 -0.31 0.00 -0.05 0.00 0.00 63.50 62.87 1uua n PRO 11 Cb 0.00 -1.22 -0.03 0.00 -0.05 0.00 0.00 33.50 32.20 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua n LYS 13 N -1.33 1.12 -2.29 0.00 5.02 -1.26 -4.92 118.16 114.50 1uua n LYS 13 Ca 0.03 -3.68 -0.25 0.00 -2.02 0.00 0.00 58.31 52.39 1uua n LYS 13 Cb 0.54 -1.67 0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uua s ALA 14 N -1.22 3.24 -0.55 7.82 0.00 -1.26 -5.03 121.76 124.76 1uua s ALA 14 Ca 0.35 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1uua s ALA 14 Cb 0.11 -2.45 0.42 0.00 0.00 0.00 0.00 23.12 21.20 1uua s ALA 14 CO -0.12 -1.39 1.56 2.89 0.00 0.00 0.00 175.76 178.70 1uua n ARG 15 N -2.93 3.15 -3.68 0.00 0.00 -1.26 -4.88 116.66 107.06 1uua n ARG 15 Ca 0.10 -3.91 -0.29 0.00 -0.00 0.00 0.00 57.85 53.74 1uua n ARG 15 Cb 0.60 -2.27 -0.13 0.00 -0.00 0.00 0.00 32.46 30.66 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uua s ILE 16 N -5.03 1.09 0.35 8.89 1.01 -1.26 -5.09 121.20 121.17 1uua s ILE 16 Ca 0.54 -2.17 -0.26 0.00 0.00 0.00 0.00 60.65 58.76 1uua s ILE 16 Cb 0.44 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 41.04 1uua s ILE 16 CO -0.14 -0.86 1.03 -0.63 0.00 0.00 0.00 174.94 174.34 1uua s ILE 17 N 0.74 3.79 0.31 2.92 1.09 -1.26 0.56 121.20 129.35 1uua s ILE 17 Ca 0.16 1.49 -0.03 0.00 -1.10 0.00 0.00 60.65 61.17 1uua s ILE 17 Cb -0.23 -3.83 0.01 0.00 -1.06 0.00 0.00 42.46 37.36 1uua s ILE 17 CO -0.05 0.12 0.46 0.54 -0.10 0.00 0.00 174.94 175.92 1uua n ARG 18 N 0.37 0.66 -4.35 2.79 1.74 0.56 -4.72 116.66 113.72 1uua n ARG 18 Ca 0.03 -2.31 -0.24 0.00 -0.77 0.00 0.00 57.85 54.56 1uua n ARG 18 Cb 0.49 2.31 -0.12 0.00 -1.02 0.00 0.00 32.46 34.12 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uua s TYR 19 N -3.23 1.98 0.20 -1.55 1.51 0.95 0.12 117.35 117.33 1uua s TYR 19 Ca 0.23 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1uua s TYR 19 Cb -0.01 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 1uua s TYR 19 CO 0.16 0.34 0.25 -0.59 -1.11 0.00 0.00 175.55 174.60 1uua s PHE 20 N -1.61 0.76 -0.17 2.71 -0.71 -0.44 -0.58 117.98 117.94 1uua s PHE 20 Ca 0.14 -1.07 -0.05 0.00 -1.04 0.00 0.00 56.93 54.91 1uua s PHE 20 Cb -0.08 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.45 1uua s PHE 20 CO 0.07 -0.74 0.01 -0.47 -1.34 0.00 0.00 175.22 172.74 1uua s TYR 21 N -4.07 3.11 -0.37 3.49 5.04 -1.04 -0.41 117.35 123.10 1uua s TYR 21 Ca 0.29 -0.18 -0.10 0.00 -2.44 0.00 0.00 57.07 54.64 1uua s TYR 21 Cb 0.04 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.35 1uua s TYR 21 CO 0.08 -0.00 0.18 -0.80 -1.34 0.00 0.00 175.55 173.67 1uua s ASN 22 N 0.49 5.61 -0.01 4.32 0.01 -0.76 -4.53 114.94 120.08 1uua s ASN 22 Ca -0.00 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 51.10 1uua s ASN 22 Cb -0.14 -1.98 0.03 0.00 0.41 0.00 0.00 41.25 39.58 1uua s ASN 22 CO 0.02 -0.37 0.61 0.00 -1.51 0.00 0.00 177.10 175.85 1uua n ALA 23 N 4.94 2.56 -0.00 0.60 0.00 -1.26 -1.57 120.51 125.78 1uua n ALA 23 Ca -0.12 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.27 1uua n ALA 23 Cb 0.45 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N 0.08 0.65 0.00 0.00 3.00 -1.26 -4.60 118.16 116.02 1uua n LYS 24 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1uua n LYS 24 Cb 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.72 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uua n ALA 25 N -2.40 1.67 -0.47 3.14 0.00 -1.16 -5.06 120.51 116.24 1uua n ALA 25 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1uua n ALA 25 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 2.14 1.55 3.21 0.00 0.00 -0.61 -5.11 105.19 106.37 1uua n GLY 26 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1uua n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uua s LEU 27 N -0.03 2.16 -0.29 0.99 0.05 -1.21 -4.93 118.68 115.41 1uua s LEU 27 Ca 0.00 -1.14 -0.13 0.00 0.05 0.00 0.00 54.13 52.91 1uua s LEU 27 Cb 0.00 -0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.09 1uua s LEU 27 CO 0.00 -0.57 0.26 0.00 -0.55 0.00 0.00 176.35 175.50 1uua s GLN 29 N 1.87 3.56 -0.21 0.00 -0.44 0.45 -4.86 119.66 120.02 1uua s GLN 29 Ca 0.10 -0.24 -0.20 0.00 -2.50 0.00 0.00 55.36 52.52 1uua s GLN 29 Cb -0.16 -2.83 -0.03 0.00 -1.64 0.00 0.00 33.01 28.35 1uua s GLN 29 CO 0.11 0.41 0.58 0.95 0.50 0.00 0.00 175.29 177.84 1uua s THR 30 N -1.81 5.05 -0.05 -0.34 -4.23 -1.26 -1.33 115.64 111.68 1uua s THR 30 Ca 0.40 1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.94 1uua s THR 30 Cb -0.11 -3.90 0.02 0.00 1.34 0.00 0.00 72.50 69.85 1uua s THR 30 CO 0.28 0.12 0.11 0.72 -0.54 0.00 0.00 174.62 175.32 1uua s PHE 31 N 1.90 -0.12 -1.06 3.99 -0.71 0.32 -4.96 117.98 117.33 1uua s PHE 31 Ca 0.26 0.32 -0.22 0.00 -1.04 0.00 0.00 56.93 56.25 1uua s PHE 31 Cb -0.16 0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1uua s PHE 31 CO 0.10 -0.08 1.49 0.08 -1.34 0.00 0.00 175.22 175.47 1uua s VAL 32 N 0.27 3.97 -0.01 -2.49 1.01 -1.26 0.21 120.40 122.10 1uua s VAL 32 Ca -0.02 -0.96 -0.36 0.00 0.00 0.00 0.00 61.98 60.64 1uua s VAL 32 Cb -0.03 -5.08 -0.14 0.00 0.00 0.00 0.00 36.38 31.13 1uua s VAL 32 CO -0.01 -1.94 1.64 0.00 0.00 0.00 0.00 175.10 174.79 1uua n TYR 33 N 8.76 2.08 -2.96 5.22 9.36 0.19 -4.68 117.16 135.13 1uua n TYR 33 Ca 0.35 0.32 -0.33 0.00 3.32 0.00 0.00 57.90 61.57 1uua n TYR 33 Cb 0.50 -2.51 -0.06 0.00 -0.63 0.00 0.00 39.34 36.64 1uua n TYR 33 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1uua s GLY 34 N 2.20 2.32 -0.18 2.98 0.00 -1.26 -4.08 107.32 109.30 1uua s GLY 34 Ca 0.88 0.18 0.06 0.00 0.00 0.00 0.00 44.72 45.83 1uua s GLY 34 CO 0.49 0.41 1.33 0.61 0.00 0.00 0.00 173.10 175.94 1uua n GLY 35 N -0.58 2.74 0.13 0.20 0.00 -1.26 -4.11 105.19 102.31 1uua n GLY 35 Ca 0.05 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua s ARG 37 N -2.47 2.02 -0.18 0.00 3.00 -1.26 -5.13 118.95 114.92 1uua s ARG 37 Ca -0.32 -0.50 -0.09 0.00 0.00 0.00 0.00 55.73 54.82 1uua s ARG 37 Cb 0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 34.95 33.28 1uua s ARG 37 CO 0.58 -0.04 0.11 0.00 0.00 0.00 0.00 175.30 175.96 1uua s ALA 38 N 0.92 3.65 0.15 2.13 0.00 -1.26 -4.79 121.76 122.57 1uua s ALA 38 Ca -0.09 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 1uua s ALA 38 Cb -0.15 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 1uua s ALA 38 CO 0.00 0.23 0.22 0.21 0.00 0.00 0.00 175.76 176.42 1uua s LYS 39 N 0.17 1.09 0.00 0.00 2.47 -1.26 -5.05 119.74 117.16 1uua s LYS 39 Ca 0.08 -1.24 0.25 0.00 -1.56 0.00 0.00 55.97 53.50 1uua s LYS 39 Cb -0.11 0.34 1.46 0.00 -1.46 0.00 0.00 37.83 38.06 1uua s LYS 39 CO -0.01 -0.38 1.89 0.54 0.16 0.00 0.00 175.35 177.56 1uua n ARG 40 N -0.18 0.92 -2.51 4.03 5.12 -1.26 -4.44 116.66 118.33 1uua n ARG 40 Ca -0.07 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.42 1uua n ARG 40 Cb 0.63 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1uua n ARG 40 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1uua n ASN 41 N -0.92 5.16 -3.66 0.55 4.05 -1.26 -4.66 115.26 114.52 1uua n ASN 41 Ca 0.18 -3.09 -0.10 0.00 0.45 0.00 0.00 54.58 52.02 1uua n ASN 41 Cb 0.08 -1.49 -0.08 0.00 1.23 0.00 0.00 39.78 39.52 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1uua s ASN 42 N 1.28 -0.72 -0.28 1.20 0.01 -1.26 -4.75 114.94 110.41 1uua s ASN 42 Ca 0.40 1.25 -0.03 0.00 -0.71 0.00 0.00 52.86 53.77 1uua s ASN 42 Cb 0.06 1.18 0.09 0.00 0.41 0.00 0.00 41.25 42.99 1uua s ASN 42 CO 0.01 -0.22 0.11 -0.36 -1.51 0.00 0.00 177.10 175.13 1uua s PHE 43 N 1.09 0.67 0.30 2.20 0.40 0.26 -4.94 117.98 117.97 1uua s PHE 43 Ca -0.06 -1.01 0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1uua s PHE 43 Cb -0.06 -1.07 1.43 0.00 0.51 0.00 0.00 43.02 43.83 1uua s PHE 43 CO -0.11 -0.79 2.03 0.87 0.70 0.00 0.00 175.22 177.92 1uua h LYS 44 N 8.33 0.00 -5.65 0.44 1.79 -1.91 0.27 116.57 119.84 1uua h LYS 44 Ca -0.18 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.63 1uua h LYS 44 Cb 1.03 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.43 1uua h LYS 44 CO 0.42 0.10 -0.76 -1.12 -1.08 0.00 0.00 179.45 177.02 1uua s SER 45 N -5.93 4.07 0.07 0.86 0.01 -1.26 -4.81 113.70 106.71 1uua s SER 45 Ca -0.01 -0.27 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 1uua s SER 45 Cb 0.11 -1.38 -0.11 0.00 0.21 0.00 0.00 66.02 64.86 1uua s SER 45 CO 0.57 0.23 1.55 0.00 0.41 0.00 0.00 173.24 175.99 1uua h ALA 46 N 6.25 0.22 -0.31 1.44 0.00 -1.99 -1.76 119.26 123.10 1uua h ALA 46 Ca -0.33 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1uua h ALA 46 Cb 1.19 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1uua h ALA 46 CO 0.54 -0.12 -0.42 0.93 0.00 0.00 0.00 179.25 180.18 1uua h GLU 47 N 0.07 -0.36 -0.08 0.00 5.08 -1.98 -0.56 114.58 116.74 1uua h GLU 47 Ca 0.05 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1uua h GLU 47 Cb 0.29 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1uua h GLU 47 CO 0.00 -0.24 0.01 -0.44 -1.00 0.00 0.00 179.01 177.34 1uua h ASP 48 N -0.38 -0.01 -0.69 1.42 3.32 -1.98 -1.62 116.42 116.49 1uua h ASP 48 Ca 0.12 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.32 1uua h ASP 48 Cb 0.59 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.04 1uua h ASP 48 CO -0.51 0.01 -0.15 0.00 -1.72 0.00 0.00 179.24 176.87 1uua h MET 50 N 0.01 0.63 0.00 0.00 2.86 -0.94 0.46 114.93 117.96 1uua h MET 50 Ca 0.34 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1uua h MET 50 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1uua h MET 50 CO -0.70 0.89 0.00 0.07 1.06 0.00 0.00 176.91 178.23 1uua h ARG 51 N 0.38 0.00 0.00 1.72 0.11 -0.28 0.57 114.38 116.88 1uua h ARG 51 Ca 0.06 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.74 1uua h ARG 51 Cb 0.73 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.75 1uua h ARG 51 CO 0.05 0.00 -2.33 2.41 0.10 0.00 0.00 179.97 180.20 1uua n THR 52 N -2.48 1.30 -1.95 0.08 -1.04 0.70 -4.75 114.28 106.13 1uua n THR 52 Ca 0.02 -0.34 -0.07 0.00 -2.04 0.00 0.00 64.05 61.62 1uua n THR 52 Cb 0.25 -1.80 0.10 0.00 -1.82 0.00 0.00 70.33 67.07 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N -0.77 1.37 0.00 0.00 0.00 0.19 -4.79 105.19 101.20 1uua n GLY 54 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N 2.90 -1.80 0.00 -0.02 0.00 -0.46 -5.00 105.19 100.82 1uua n GLY 55 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32