#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uub n PHE 2 N 0.00 -1.32 0.00 2.11 3.01 -1.26 -4.54 117.46 115.46 1uub n PHE 2 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 57.45 59.13 1uub n PHE 2 Cb 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 39.48 36.90 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uub n LEU 4 N -2.15 0.00 -0.54 0.00 -0.00 -1.03 -2.27 117.00 111.00 1uub n LEU 4 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1uub n LEU 4 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 1uub n LEU 4 CO 0.00 0.00 0.50 -0.62 -0.00 0.00 0.00 177.39 177.27 1uub n GLU 5 N -0.50 1.38 -0.31 1.47 1.02 -1.26 -4.74 120.64 117.70 1uub n GLU 5 Ca 0.00 -1.50 0.15 0.00 -0.02 0.00 0.00 57.16 55.79 1uub n GLU 5 Cb 0.00 -1.25 0.39 0.00 -0.02 0.00 0.00 31.44 30.57 1uub n GLU 5 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uub h PRO 6 N 2.25 0.62 -5.42 3.49 0.13 -1.84 -3.15 132.00 128.07 1uub h PRO 6 Ca 0.00 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.86 1uub h PRO 6 Cb 0.58 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1uub h PRO 6 CO 0.00 0.41 0.71 -1.25 -0.23 0.00 0.00 178.00 177.64 1uub s PRO 7 N -5.68 2.14 -0.10 1.56 0.04 -1.26 -4.76 135.00 126.94 1uub s PRO 7 Ca -0.10 -0.73 -0.27 0.00 0.04 0.00 0.00 61.00 59.94 1uub s PRO 7 Cb 0.24 -5.12 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 1uub s PRO 7 CO 0.79 -4.26 0.90 0.71 0.04 0.00 0.00 177.00 175.18 1uub s TYR 8 N 12.51 3.52 -1.00 0.56 1.51 -1.26 -4.97 117.35 128.22 1uub s TYR 8 Ca 0.73 1.45 -0.03 0.00 -1.01 0.00 0.00 57.07 58.22 1uub s TYR 8 Cb -0.04 -3.06 0.21 0.00 -0.11 0.00 0.00 41.96 38.97 1uub s TYR 8 CO 0.11 -0.14 2.21 0.25 -1.11 0.00 0.00 175.55 176.88 1uub n THR 9 N 4.35 4.95 -3.37 -0.71 -2.24 -1.26 -4.71 114.28 111.29 1uub n THR 9 Ca 0.05 -4.66 -0.26 0.00 -2.27 0.00 0.00 64.05 56.91 1uub n THR 9 Cb 0.50 -1.68 -0.08 0.00 -2.10 0.00 0.00 70.33 66.97 1uub n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uub n GLY 10 N 0.61 4.45 3.85 3.38 0.00 -1.26 -5.11 105.19 111.11 1uub n GLY 10 Ca 0.54 -2.54 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1uub n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uub s PRO 11 N -2.24 3.80 0.00 1.61 0.02 -1.26 -4.65 135.00 132.29 1uub s PRO 11 Ca 0.39 0.87 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1uub s PRO 11 Cb 0.15 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1uub s PRO 11 CO -0.03 -0.40 0.36 0.00 -0.33 0.00 0.00 177.00 176.60 1uub n ARG 13 N -0.06 0.00 0.00 0.00 0.00 -1.26 -4.48 116.66 110.87 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1uub n ARG 13 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uub n ALA 14 N -1.12 0.00 -3.51 5.13 0.00 0.11 -4.92 120.51 116.20 1uub n ALA 14 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1uub n ALA 14 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1uub n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uub s ALA 15 N -1.38 -0.63 0.09 0.00 0.00 -1.21 -4.05 121.76 114.58 1uub s ALA 15 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1uub s ALA 15 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1uub s ALA 15 CO 0.00 -1.04 -0.15 0.42 0.00 0.00 0.00 175.76 174.99 1uub s ILE 16 N 2.43 1.26 0.21 0.00 1.09 0.49 -4.96 121.20 121.72 1uub s ILE 16 Ca 0.07 -1.48 0.10 0.00 -1.10 0.00 0.00 60.65 58.24 1uub s ILE 16 Cb -0.14 -1.29 -0.05 0.00 -1.06 0.00 0.00 42.46 39.92 1uub s ILE 16 CO -0.12 -0.27 -0.20 -0.51 -0.10 0.00 0.00 174.94 173.74 1uub s ILE 17 N -1.56 2.15 -0.09 2.92 1.10 -1.26 -2.02 121.20 122.44 1uub s ILE 17 Ca 0.03 -2.14 0.00 0.00 -0.51 0.00 0.00 60.65 58.02 1uub s ILE 17 Cb -0.08 -2.09 0.00 0.00 0.15 0.00 0.00 42.46 40.44 1uub s ILE 17 CO 0.03 -0.33 0.00 0.54 -2.11 0.00 0.00 174.94 173.07 1uub n ARG 18 N -0.10 0.00 -4.17 3.50 1.74 -1.26 -4.58 116.66 111.79 1uub n ARG 18 Ca -0.10 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 1uub n ARG 18 Cb 0.58 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.94 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uub s TYR 19 N -3.72 3.29 0.37 -1.55 1.51 0.26 -1.35 117.35 116.16 1uub s TYR 19 Ca 0.00 0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.37 1uub s TYR 19 Cb 0.00 -1.80 -0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1uub s TYR 19 CO 0.00 0.55 0.04 -0.59 -1.11 0.00 0.00 175.55 174.44 1uub s PHE 20 N -1.03 2.19 -0.39 2.71 -0.12 -0.64 -2.43 117.98 118.27 1uub s PHE 20 Ca 0.17 -0.85 -0.10 0.00 -0.05 0.00 0.00 56.93 56.10 1uub s PHE 20 Cb -0.12 -1.49 0.05 0.00 -0.63 0.00 0.00 43.02 40.83 1uub s PHE 20 CO 0.07 0.19 0.22 -0.47 -0.05 0.00 0.00 175.22 175.18 1uub s TYR 21 N -3.05 3.28 -1.01 3.49 5.04 -1.26 0.91 117.35 124.76 1uub s TYR 21 Ca 0.35 -1.23 -0.02 0.00 -2.44 0.00 0.00 57.07 53.73 1uub s TYR 21 Cb 0.09 -2.64 0.31 0.00 0.35 0.00 0.00 41.96 40.07 1uub s TYR 21 CO 0.16 -0.74 1.52 -1.71 -1.34 0.00 0.00 175.55 173.45 1uub n ASN 22 N 4.96 6.47 -2.08 4.32 4.05 0.20 -2.48 115.26 130.70 1uub n ASN 22 Ca -0.11 -3.52 -0.00 0.00 0.45 0.00 0.00 54.58 51.39 1uub n ASN 22 Cb 0.45 -1.16 -0.00 0.00 1.23 0.00 0.00 39.78 40.29 1uub n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1uub n ALA 23 N 0.75 1.69 0.00 5.20 0.00 -0.96 0.68 120.51 127.86 1uub n ALA 23 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1uub n ALA 23 Cb 0.32 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1uub n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uub n LYS 24 N 2.21 0.00 -0.01 0.00 0.00 -1.26 -4.86 118.16 114.23 1uub n LYS 24 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.31 1uub n LYS 24 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 35.03 34.87 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uub n ALA 25 N -0.62 0.12 -0.70 3.14 0.00 -0.66 -4.86 120.51 116.94 1uub n ALA 25 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1uub n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1uub n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uub n GLY 26 N 1.59 -0.38 4.30 0.00 0.00 -1.18 -5.02 105.19 104.49 1uub n GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uub n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uub n LEU 27 N -0.07 0.00 -4.05 0.99 4.32 0.21 -4.89 117.00 113.52 1uub n LEU 27 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1uub n LEU 27 Cb 0.28 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 41.92 1uub n LEU 27 CO 0.00 0.00 -0.49 0.00 -1.22 0.00 0.00 177.39 175.68 1uub n GLN 29 N 4.33 2.09 -3.70 0.00 0.00 0.26 -4.68 117.38 115.68 1uub n GLN 29 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.72 1uub n GLN 29 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.70 1uub n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1uub s THR 30 N 1.52 0.09 0.00 1.69 -4.23 -1.25 -1.63 115.64 111.83 1uub s THR 30 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1uub s THR 30 Cb 0.00 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1uub s THR 30 CO 0.00 -0.41 0.00 2.22 -0.54 0.00 0.00 174.62 175.89 1uub n PHE 31 N -0.14 0.00 0.00 3.99 -1.74 -0.46 -4.71 117.46 114.40 1uub n PHE 31 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1uub n PHE 31 Cb 0.63 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.63 1uub n PHE 31 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 1uub n VAL 32 N 0.00 0.00 0.00 1.97 3.14 -1.24 -4.21 118.33 117.99 1uub n VAL 32 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1uub n VAL 32 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1uub n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1uub n TYR 33 N 0.00 0.00 -0.10 1.45 4.11 -0.86 -4.63 117.16 117.13 1uub n TYR 33 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.74 1uub n TYR 33 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 1uub n TYR 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1uub n GLY 34 N -0.18 -0.73 1.46 -7.48 0.00 -1.26 -0.38 105.19 96.63 1uub n GLY 34 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1uub n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uub n GLY 35 N 1.45 1.66 7.00 -0.02 0.00 -1.26 0.07 105.19 114.09 1uub n GLY 35 Ca -0.27 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1uub n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uub n ARG 37 N 0.00 0.58 -0.85 0.00 0.00 -1.26 -4.76 116.66 110.38 1uub n ARG 37 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1uub n ARG 37 Cb 0.00 -1.23 -0.02 0.00 -0.00 0.00 0.00 32.46 31.22 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uub n ALA 38 N 0.60 -0.06 -2.21 2.89 0.00 -1.25 -2.72 120.51 117.77 1uub n ALA 38 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1uub n ALA 38 Cb 0.26 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 1uub n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uub n LYS 39 N -0.18 -2.29 0.00 0.00 3.00 -1.26 -3.80 118.16 113.63 1uub n LYS 39 Ca -0.04 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1uub n LYS 39 Cb 0.34 -4.81 0.00 0.00 0.00 0.00 0.00 35.03 30.56 1uub n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uub n SER 40 N -1.29 0.00 -4.59 3.14 2.88 -1.10 -4.85 113.62 107.81 1uub n SER 40 Ca -0.08 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.98 1uub n SER 40 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 1uub n SER 40 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1uub n ASN 41 N 0.06 2.97 -2.84 -3.46 2.85 -1.25 -4.85 115.26 108.75 1uub n ASN 41 Ca 0.00 0.63 -0.01 0.00 -0.11 0.00 0.00 54.58 55.09 1uub n ASN 41 Cb 0.00 -1.37 0.01 0.00 1.24 0.00 0.00 39.78 39.66 1uub n ASN 41 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1uub s ASN 42 N 6.04 -0.80 0.19 1.20 3.84 -1.26 -4.77 114.94 119.38 1uub s ASN 42 Ca 1.00 -0.64 0.03 0.00 0.21 0.00 0.00 52.86 53.45 1uub s ASN 42 Cb -0.67 1.03 -0.01 0.00 -0.55 0.00 0.00 41.25 41.05 1uub s ASN 42 CO 0.48 -0.06 0.09 2.22 -2.79 0.00 0.00 177.10 177.04 1uub n PHE 43 N 3.42 -0.07 -1.88 0.43 1.16 -1.02 -4.98 117.46 114.53 1uub n PHE 43 Ca 0.11 -1.31 -0.03 0.00 -1.87 0.00 0.00 57.45 54.34 1uub n PHE 43 Cb 0.61 0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.49 1uub n PHE 43 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1uub n LYS 44 N -0.41 0.00 -3.93 3.97 4.81 -1.26 0.91 118.16 122.24 1uub n LYS 44 Ca -0.01 -0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 56.92 1uub n LYS 44 Cb 0.30 0.24 -0.01 0.00 0.02 0.00 0.00 35.03 35.58 1uub n LYS 44 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1uub s SER 45 N -0.41 0.26 0.04 3.14 0.01 -1.26 -4.92 113.70 110.56 1uub s SER 45 Ca 0.00 -1.17 -0.22 0.00 1.31 0.00 0.00 55.95 55.88 1uub s SER 45 Cb 0.00 0.74 -0.15 0.00 0.21 0.00 0.00 66.02 66.83 1uub s SER 45 CO 0.00 -1.45 1.39 0.00 0.41 0.00 0.00 173.24 173.59 1uub h ALA 46 N 2.07 0.17 -0.22 1.44 0.00 -2.02 0.21 119.26 120.93 1uub h ALA 46 Ca -0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1uub h ALA 46 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1uub h ALA 46 CO 0.37 -0.04 -0.05 1.49 0.00 0.00 0.00 179.25 181.02 1uub h GLU 47 N -0.09 0.33 0.27 0.00 4.81 -1.98 0.66 114.58 118.58 1uub h GLU 47 Ca 0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1uub h GLU 47 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1uub h GLU 47 CO 0.02 0.40 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.13 1uub h ASP 48 N 0.32 -0.31 -0.77 1.04 3.32 -1.95 -1.14 116.42 116.93 1uub h ASP 48 Ca 0.07 -0.20 0.14 0.00 0.02 0.00 0.00 57.03 57.06 1uub h ASP 48 Cb 0.30 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1uub h ASP 48 CO 0.01 0.17 0.51 0.00 -1.72 0.00 0.00 179.24 178.21 1uub h MET 50 N 0.47 0.33 0.00 0.00 2.86 -0.88 -2.46 114.93 115.24 1uub h MET 50 Ca 0.38 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1uub h MET 50 Cb 0.79 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1uub h MET 50 CO -0.13 0.98 -0.02 0.07 1.06 0.00 0.00 176.91 178.87 1uub h ARG 51 N -0.22 0.00 0.00 1.72 -0.00 -0.52 1.05 114.38 116.42 1uub h ARG 51 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.88 1uub h ARG 51 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.05 1uub h ARG 51 CO 0.08 0.02 -0.32 1.15 -0.00 0.00 0.00 179.97 180.90 1uub h THR 52 N 0.00 1.44 0.00 0.08 2.02 -1.50 -3.41 112.91 111.54 1uub h THR 52 Ca -0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1uub h THR 52 Cb 0.04 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1uub h THR 52 CO 0.00 0.49 -0.05 0.00 0.37 0.00 0.00 175.52 176.33 1uub h GLY 54 N 0.00 0.99 0.00 0.00 0.00 0.11 -3.48 103.07 100.69 1uub h GLY 54 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1uub h GLY 54 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1uub n GLY 55 N -0.33 0.23 0.68 4.60 0.00 0.14 -4.98 105.19 105.53 1uub n GLY 55 Ca 0.01 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32