#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 0.00 0.00 1.24 3.01 -1.26 -4.43 117.46 116.02 1uub n PHE 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1uub n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.24 -0.74 -4.53 0.00 -0.00 -1.03 -0.27 117.00 109.19 1uub n LEU 4 Ca 0.00 0.20 -0.34 0.00 -0.00 0.00 0.00 56.01 55.87 1uub n LEU 4 Cb 0.12 0.95 0.10 0.00 -0.00 0.00 0.00 43.42 44.59 1uub n LEU 4 CO 0.00 -0.39 0.25 -0.62 -0.00 0.00 0.00 177.39 176.63 1uub n GLU 5 N -2.75 0.10 -1.52 1.47 1.02 -1.26 -4.55 120.64 113.16 1uub n GLU 5 Ca 0.00 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 1uub n GLU 5 Cb 0.00 -2.04 -0.06 0.00 -0.02 0.00 0.00 31.44 29.32 1uub n GLU 5 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1uub n PRO 6 N -1.82 1.07 -2.10 3.49 -0.02 -1.26 -0.29 135.00 134.06 1uub n PRO 6 Ca 0.10 0.19 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 1uub n PRO 6 Cb 0.51 -2.81 0.01 0.00 -0.02 0.00 0.00 33.50 31.20 1uub n PRO 6 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1uub s PRO 7 N 7.36 3.41 0.26 0.52 0.04 -1.26 -4.51 135.00 140.82 1uub s PRO 7 Ca 1.08 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.70 1uub s PRO 7 Cb -0.58 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 1uub s PRO 7 CO 0.39 -0.87 1.25 0.71 0.04 0.00 0.00 177.00 178.52 1uub s TYR 8 N -1.52 3.28 -0.44 0.56 1.51 -1.26 -5.02 117.35 114.46 1uub s TYR 8 Ca 0.69 1.42 0.05 0.00 -1.01 0.00 0.00 57.07 58.22 1uub s TYR 8 Cb -0.31 -3.54 0.18 0.00 -0.11 0.00 0.00 41.96 38.18 1uub s TYR 8 CO 0.36 -1.49 0.45 0.25 -1.11 0.00 0.00 175.55 174.01 1uub n THR 9 N 1.65 -0.89 -0.07 -0.71 -2.24 -1.26 -4.06 114.28 106.70 1uub n THR 9 Ca 0.02 -2.87 0.00 0.00 -2.27 0.00 0.00 64.05 58.93 1uub n THR 9 Cb 0.43 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.74 0.61 0.14 3.38 0.00 -1.25 -4.68 105.19 106.12 1uub n GLY 10 Ca 0.26 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1uub n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uub h PRO 11 N 0.00 0.00 0.00 1.61 0.14 -1.84 -3.40 132.00 128.51 1uub h PRO 11 Ca 0.00 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.14 1uub h PRO 11 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.17 1uub h PRO 11 CO 0.00 0.00 -0.88 0.00 0.14 0.00 0.00 178.00 177.26 1uub n ARG 13 N -2.91 3.86 0.00 0.00 1.74 0.18 -4.90 116.66 114.63 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1uub n ARG 13 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uub n ALA 14 N -3.00 0.00 -3.18 7.54 0.00 -1.26 -4.72 120.51 115.89 1uub n ALA 14 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1uub n ALA 14 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -4.00 -3.44 -0.06 0.00 0.00 -1.26 -3.97 121.76 109.03 1uub s ALA 15 Ca 0.00 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1uub s ALA 15 Cb 0.00 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1uub s ALA 15 CO 0.00 -1.36 -0.17 0.42 0.00 0.00 0.00 175.76 174.65 1uub s ILE 16 N 2.81 2.80 0.15 0.00 1.09 -0.26 -4.99 121.20 122.80 1uub s ILE 16 Ca -0.03 -0.80 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 1uub s ILE 16 Cb -0.08 -2.09 -0.04 0.00 -1.06 0.00 0.00 42.46 39.18 1uub s ILE 16 CO -0.11 0.57 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.52 1uub s ILE 17 N -0.41 1.53 0.00 2.92 -1.09 -1.26 -1.37 121.20 121.51 1uub s ILE 17 Ca 0.04 -1.92 0.00 0.00 -2.23 0.00 0.00 60.65 56.55 1uub s ILE 17 Cb -0.12 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1uub s ILE 17 CO 0.02 -0.47 0.00 -1.14 -1.23 0.00 0.00 174.94 172.12 1uub n ARG 18 N 0.18 0.00 -3.56 2.79 3.00 -1.26 -4.61 116.66 113.20 1uub n ARG 18 Ca -0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.35 1uub n ARG 18 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.98 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1uub s TYR 19 N -0.05 3.55 0.37 -0.14 1.51 -0.45 -1.96 117.35 120.19 1uub s TYR 19 Ca 0.00 0.71 0.04 0.00 -1.01 0.00 0.00 57.07 56.81 1uub s TYR 19 Cb 0.00 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.52 1uub s TYR 19 CO 0.00 0.41 0.06 -0.59 -1.11 0.00 0.00 175.55 174.32 1uub s PHE 20 N -0.14 2.00 -0.33 2.71 -0.12 -0.49 -0.90 117.98 120.71 1uub s PHE 20 Ca 0.19 -0.99 -0.09 0.00 -0.05 0.00 0.00 56.93 55.99 1uub s PHE 20 Cb -0.14 -1.36 0.01 0.00 -0.63 0.00 0.00 43.02 40.90 1uub s PHE 20 CO 0.07 0.03 0.15 -0.47 -0.05 0.00 0.00 175.22 174.95 1uub s TYR 21 N -3.15 3.19 -0.79 3.49 5.04 -1.22 0.88 117.35 124.79 1uub s TYR 21 Ca 0.30 -0.81 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1uub s TYR 21 Cb 0.07 -2.35 0.26 0.00 0.35 0.00 0.00 41.96 40.28 1uub s TYR 21 CO 0.14 -0.55 0.93 -1.71 -1.34 0.00 0.00 175.55 173.03 1uub n ASN 22 N 4.95 4.48 -2.00 4.32 5.15 0.13 -2.46 115.26 129.85 1uub n ASN 22 Ca -0.13 -3.39 0.00 0.00 -0.60 0.00 0.00 54.58 50.46 1uub n ASN 22 Cb 0.48 -0.88 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 1uub n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uub n ALA 23 N 1.20 1.48 0.00 5.20 0.00 0.63 -0.20 120.51 128.82 1uub n ALA 23 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1uub n ALA 23 Cb 0.38 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1uub n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uub n LYS 24 N 1.97 0.00 -0.01 0.00 4.01 -1.26 -4.86 118.16 118.01 1uub n LYS 24 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1uub n LYS 24 Cb 0.00 -0.24 -0.00 0.00 -0.51 0.00 0.00 35.03 34.28 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub h ALA 25 N 0.00 0.00 0.00 7.82 0.00 -1.89 -3.45 119.26 121.74 1uub h ALA 25 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1uub h ALA 25 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1uub h ALA 25 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1uub n GLY 26 N 1.75 -0.14 3.67 0.00 0.00 -1.24 -5.01 105.19 104.21 1uub n GLY 26 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.01 0.00 -3.88 0.99 4.32 0.72 -4.94 117.00 114.20 1uub n LEU 27 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.75 1uub n LEU 27 Cb 0.15 -0.09 -0.17 0.00 -1.62 0.00 0.00 43.42 41.68 1uub n LEU 27 CO 0.00 0.00 -0.42 0.00 -1.22 0.00 0.00 177.39 175.75 1uub n GLN 29 N 4.72 1.28 -3.90 0.00 0.00 0.25 -4.69 117.38 115.04 1uub n GLN 29 Ca -0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.75 1uub n GLN 29 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.64 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 2.29 0.08 0.00 1.69 -4.23 -1.25 -1.39 115.64 112.83 1uub s THR 30 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1uub s THR 30 Cb 0.00 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1uub s THR 30 CO 0.00 -0.38 0.00 2.22 -0.54 0.00 0.00 174.62 175.92 1uub n PHE 31 N 1.65 0.00 0.00 3.99 -1.74 -0.83 -4.71 117.46 115.83 1uub n PHE 31 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.67 1uub n PHE 31 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1uub n PHE 31 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1uub n VAL 32 N -0.01 0.00 0.00 1.97 0.31 -1.21 -4.29 118.33 115.11 1uub n VAL 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1uub n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1uub n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uub n TYR 33 N 0.00 0.00 -3.20 3.52 4.11 -0.47 -4.71 117.16 116.41 1uub n TYR 33 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.66 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 -0.36 2.55 3.73 -7.48 0.00 -1.26 -1.10 105.19 101.27 1uub n GLY 34 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 1.70 0.34 0.00 -0.02 0.00 -1.26 0.48 105.19 106.43 1uub n GLY 35 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.89 -1.09 0.00 1.85 -1.26 -4.72 116.66 112.33 1uub n ARG 37 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 1uub n ARG 37 Cb 0.00 -1.06 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uub n ALA 38 N 1.06 -0.12 -2.64 2.89 0.00 -1.26 -2.61 120.51 117.83 1uub n ALA 38 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 1uub n ALA 38 Cb 0.44 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.03 -2.71 0.00 0.00 3.00 -1.26 -3.87 118.16 112.29 1uub n LYS 39 Ca -0.08 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1uub n LYS 39 Cb 0.35 -4.72 0.00 0.00 0.00 0.00 0.00 35.03 30.66 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 -1.67 0.00 -4.76 3.14 2.88 -1.07 -4.79 113.62 107.35 1uub n SER 40 Ca -0.03 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1uub n SER 40 Cb 0.53 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1uub n SER 40 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1uub s ASN 41 N 0.00 6.52 0.00 -3.46 3.84 -1.25 -4.96 114.94 115.63 1uub s ASN 41 Ca 0.00 2.86 0.00 0.00 0.21 0.00 0.00 52.86 55.93 1uub s ASN 41 Cb 0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1uub s ASN 41 CO 0.00 -0.76 0.00 -3.20 -2.79 0.00 0.00 177.10 170.35 1uub n ASN 42 N 1.26 0.00 -4.82 -4.21 2.85 -1.26 -4.87 115.26 104.20 1uub n ASN 42 Ca 0.03 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.24 1uub n ASN 42 Cb 0.40 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.37 1uub n ASN 42 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1uub s PHE 43 N 0.00 2.07 0.00 1.20 0.08 -0.08 -4.97 117.98 116.27 1uub s PHE 43 Ca 0.00 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1uub s PHE 43 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1uub s PHE 43 CO 0.00 -0.11 0.00 1.17 -0.10 0.00 0.00 175.22 176.18 1uub n LYS 44 N -1.49 0.00 -1.90 0.44 4.81 -1.26 -1.34 118.16 117.42 1uub n LYS 44 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.37 1uub n LYS 44 Cb 0.65 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1uub n SER 45 N 0.00 -0.61 -0.07 3.14 7.64 -1.26 -4.91 113.62 117.55 1uub n SER 45 Ca 0.00 -1.48 -0.15 0.00 1.01 0.00 0.00 58.87 58.25 1uub n SER 45 Cb 0.15 1.03 -0.05 0.00 -1.01 0.00 0.00 64.21 64.33 1uub n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uub h ALA 46 N 1.92 0.41 -0.37 -0.43 0.00 -2.00 -2.14 119.26 116.64 1uub h ALA 46 Ca -0.09 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1uub h ALA 46 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1uub h ALA 46 CO 0.12 0.61 0.10 1.05 0.00 0.00 0.00 179.25 181.14 1uub h GLU 47 N 0.57 0.54 0.53 0.00 4.11 -1.98 -0.39 114.58 117.97 1uub h GLU 47 Ca 0.01 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1uub h GLU 47 Cb 1.14 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1uub h GLU 47 CO 0.12 0.49 -0.25 -0.44 0.07 0.00 0.00 179.01 178.99 1uub h ASP 48 N 0.53 -0.60 -0.96 3.06 3.32 -1.95 -0.92 116.42 118.91 1uub h ASP 48 Ca 0.13 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.33 1uub h ASP 48 Cb 0.19 0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 1uub h ASP 48 CO -0.01 -0.21 0.61 0.00 -1.72 0.00 0.00 179.24 177.92 1uub h MET 50 N 0.58 0.32 -0.20 0.00 2.86 -1.06 -2.35 114.93 115.08 1uub h MET 50 Ca 0.52 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1uub h MET 50 Cb 1.05 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1uub h MET 50 CO -0.26 1.01 0.08 0.07 1.06 0.00 0.00 176.91 178.87 1uub h ARG 51 N -0.24 0.27 0.03 1.72 -0.00 -0.59 0.78 114.38 116.35 1uub h ARG 51 Ca -0.05 -0.03 -0.20 0.00 -0.00 0.00 0.00 59.98 59.71 1uub h ARG 51 Cb 1.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 31.05 1uub h ARG 51 CO 0.09 0.23 -1.04 1.15 -0.00 0.00 0.00 179.97 180.39 1uub h THR 52 N 0.27 1.13 0.00 0.08 2.02 -1.59 -3.44 112.91 111.39 1uub h THR 52 Ca 0.07 -2.28 -0.06 0.00 0.77 0.00 0.00 66.41 64.91 1uub h THR 52 Cb 0.06 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1uub h THR 52 CO -0.01 0.49 -1.28 0.00 0.37 0.00 0.00 175.52 175.09 1uub n GLY 54 N 2.59 0.51 2.36 0.00 0.00 0.27 -4.99 105.19 105.92 1uub n GLY 54 Ca -0.06 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1uub n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uub n GLY 55 N -0.19 4.25 0.95 -0.02 0.00 -1.26 -4.91 105.19 104.01 1uub n GLY 55 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32