#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 -1.50 0.00 1.24 -1.74 -1.25 -4.34 117.46 109.87 1uub n PHE 2 Ca 0.00 0.13 0.00 0.00 -0.56 0.00 0.00 57.45 57.02 1uub n PHE 2 Cb 0.00 -1.00 0.00 0.00 1.52 0.00 0.00 39.48 40.00 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1uub n LEU 4 N -0.39 0.00 -4.90 0.00 -0.00 -1.08 -1.28 117.00 109.36 1uub n LEU 4 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1uub n LEU 4 Cb 0.00 0.08 0.03 0.00 -0.00 0.00 0.00 43.42 43.53 1uub n LEU 4 CO 0.00 -0.12 0.63 -1.61 -0.00 0.00 0.00 177.39 176.29 1uub s GLU 5 N -1.24 3.06 -0.33 1.47 0.41 -1.26 -4.70 118.70 116.11 1uub s GLU 5 Ca 0.00 0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 54.58 1uub s GLU 5 Cb 0.00 -2.16 -0.07 0.00 -1.78 0.00 0.00 34.13 30.12 1uub s GLU 5 CO 0.00 -0.76 2.29 -2.30 -0.49 0.00 0.00 175.26 174.00 1uub n PRO 6 N -2.74 1.54 -1.32 0.39 -0.02 -1.26 -2.24 135.00 129.36 1uub n PRO 6 Ca 0.05 0.34 -0.44 0.00 -2.02 0.00 0.00 63.50 61.43 1uub n PRO 6 Cb 0.57 -3.14 -0.02 0.00 -0.02 0.00 0.00 33.50 30.88 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uub n PRO 7 N 8.75 0.00 -2.94 0.52 -0.01 -1.26 -4.23 135.00 135.82 1uub n PRO 7 Ca 0.34 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.42 1uub n PRO 7 Cb 0.43 -0.97 -0.05 0.00 -0.01 0.00 0.00 33.50 32.91 1uub n PRO 7 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 175.50 176.20 1uub s TYR 8 N -1.23 3.21 -0.42 6.00 1.51 -1.26 -4.96 117.35 120.20 1uub s TYR 8 Ca 0.60 0.83 0.07 0.00 -1.01 0.00 0.00 57.07 57.57 1uub s TYR 8 Cb -0.79 -3.20 0.18 0.00 -0.11 0.00 0.00 41.96 38.04 1uub s TYR 8 CO 0.57 -0.55 0.65 0.99 -1.11 0.00 0.00 175.55 176.10 1uub s THR 9 N 2.94 -0.98 0.08 -0.71 2.01 -1.26 -4.35 115.64 113.36 1uub s THR 9 Ca 0.32 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1uub s THR 9 Cb -0.14 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.37 1uub s THR 9 CO 0.12 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1uub n GLY 10 N 4.22 -0.77 0.49 4.40 0.00 -1.26 -4.93 105.19 107.33 1uub n GLY 10 Ca 0.12 0.18 0.31 0.00 0.00 0.00 0.00 46.02 46.63 1uub n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uub h PRO 11 N 0.00 0.04 -5.34 1.61 0.11 -1.96 -3.42 132.00 123.04 1uub h PRO 11 Ca 0.00 -0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.71 1uub h PRO 11 Cb 0.00 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 30.93 1uub h PRO 11 CO 0.00 0.03 -0.74 0.00 -0.21 0.00 0.00 178.00 177.07 1uub n ARG 13 N 0.23 0.00 0.00 0.00 1.74 -1.25 -3.94 116.66 113.44 1uub n ARG 13 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1uub n ARG 13 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 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 0.56 0.00 -3.17 7.54 0.00 -1.26 -4.86 120.51 119.32 1uub n ALA 14 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.47 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 -3.93 -3.62 -0.00 0.00 0.00 -1.26 -4.71 121.76 108.24 1uub s ALA 15 Ca 0.00 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1uub s ALA 15 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1uub s ALA 15 CO 0.00 -1.35 -0.07 0.42 0.00 0.00 0.00 175.76 174.75 1uub s ILE 16 N 2.75 3.61 0.29 0.00 1.09 -0.29 -5.04 121.20 123.61 1uub s ILE 16 Ca -0.05 -0.76 0.11 0.00 -1.10 0.00 0.00 60.65 58.85 1uub s ILE 16 Cb -0.07 -2.55 -0.05 0.00 -1.06 0.00 0.00 42.46 38.73 1uub s ILE 16 CO -0.10 0.42 -0.15 -0.51 -0.10 0.00 0.00 174.94 174.50 1uub s ILE 17 N -0.97 2.61 -0.30 2.92 1.10 -1.26 -2.20 121.20 123.11 1uub s ILE 17 Ca 0.16 -2.28 0.00 0.00 -0.51 0.00 0.00 60.65 58.02 1uub s ILE 17 Cb -0.11 -2.45 0.00 0.00 0.15 0.00 0.00 42.46 40.05 1uub s ILE 17 CO 0.07 -0.36 0.00 -1.14 -2.11 0.00 0.00 174.94 171.40 1uub n ARG 18 N -0.70 0.00 -4.10 3.50 0.63 -1.26 -4.45 116.66 110.28 1uub n ARG 18 Ca -0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 1uub n ARG 18 Cb 0.60 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.42 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uub s TYR 19 N -4.00 3.23 0.39 -0.14 1.51 0.01 -1.81 117.35 116.53 1uub s TYR 19 Ca 0.00 0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1uub s TYR 19 Cb 0.00 -2.02 -0.07 0.00 -0.11 0.00 0.00 41.96 39.76 1uub s TYR 19 CO 0.00 0.20 0.03 -0.59 -1.11 0.00 0.00 175.55 174.08 1uub s PHE 20 N 0.12 2.33 -0.23 2.71 -0.12 -0.56 -1.82 117.98 120.41 1uub s PHE 20 Ca 0.04 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.09 1uub s PHE 20 Cb -0.12 -1.62 -0.02 0.00 -0.63 0.00 0.00 43.02 40.63 1uub s PHE 20 CO 0.01 0.30 0.02 -0.47 -0.05 0.00 0.00 175.22 175.03 1uub s TYR 21 N -2.90 3.03 -0.52 3.49 5.04 -1.14 0.15 117.35 124.49 1uub s TYR 21 Ca 0.35 -0.65 0.05 0.00 -2.44 0.00 0.00 57.07 54.38 1uub s TYR 21 Cb 0.09 -2.17 0.37 0.00 0.35 0.00 0.00 41.96 40.60 1uub s TYR 21 CO 0.17 -0.44 1.00 -1.71 -1.34 0.00 0.00 175.55 173.23 1uub n ASN 22 N 4.84 4.42 -0.29 4.32 5.15 0.17 -1.32 115.26 132.54 1uub n ASN 22 Ca -0.17 -3.67 0.00 0.00 -0.60 0.00 0.00 54.58 50.14 1uub n ASN 22 Cb 0.51 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 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 -0.31 0.63 -0.05 5.20 0.00 -0.40 -0.31 120.51 125.28 1uub n ALA 23 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 1uub n ALA 23 Cb 0.50 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 0.05 0.22 -0.00 0.00 4.01 -1.26 -4.77 118.16 116.40 1uub n LYS 24 Ca 0.00 0.08 -0.00 0.00 -0.51 0.00 0.00 58.31 57.88 1uub n LYS 24 Cb 0.00 -0.97 -0.00 0.00 -0.51 0.00 0.00 35.03 33.55 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 -0.22 0.00 0.00 7.82 0.00 -1.76 -3.45 119.26 121.65 1uub h ALA 25 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1uub h ALA 25 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1uub h ALA 25 CO -0.11 0.02 -0.02 0.41 0.00 0.00 0.00 179.25 179.55 1uub n GLY 26 N 1.81 -2.42 7.00 0.00 0.00 -1.23 -5.12 105.19 105.22 1uub n GLY 26 Ca -0.00 -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 -0.04 0.00 -4.40 0.99 4.32 0.58 -4.86 117.00 113.59 1uub n LEU 27 Ca 0.00 0.00 -0.62 0.00 -0.02 0.00 0.00 56.01 55.37 1uub n LEU 27 Cb 0.49 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.18 1uub n LEU 27 CO 0.00 0.00 1.56 0.00 -1.22 0.00 0.00 177.39 177.73 1uub n GLN 29 N 6.51 3.32 -3.87 0.00 0.00 0.38 -4.79 117.38 118.93 1uub n GLN 29 Ca 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 57.37 1uub n GLN 29 Cb -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.11 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 2.43 0.09 0.00 1.69 -4.23 -1.25 -1.49 115.64 112.87 1uub s THR 30 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1uub s THR 30 Cb 0.00 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1uub s THR 30 CO 0.00 -0.40 0.00 2.22 -0.54 0.00 0.00 174.62 175.90 1uub n PHE 31 N 1.36 0.00 0.00 3.99 -1.74 -0.75 -4.69 117.46 115.63 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 1.55 -0.56 0.00 0.00 176.76 177.75 1uub n VAL 32 N 0.00 0.00 -0.28 1.97 3.14 -1.22 -4.14 118.33 117.80 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 -3.24 1.45 4.11 -0.93 -4.44 117.16 114.11 1uub n TYR 33 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.68 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 -0.33 1.59 4.73 -7.48 0.00 -1.26 -1.13 105.19 101.32 1uub n GLY 34 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 2.73 0.58 0.00 -0.02 0.00 -1.25 -3.07 105.19 104.16 1uub n GLY 35 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.83 -1.18 0.00 1.85 -1.26 -4.72 116.66 112.18 1uub n ARG 37 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1uub n ARG 37 Cb 0.00 -1.09 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 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 0.97 -0.14 -3.26 2.89 0.00 -1.26 -2.64 120.51 117.07 1uub n ALA 38 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 1uub n ALA 38 Cb 0.41 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.33 -2.26 -0.50 0.00 3.00 -1.26 -1.44 118.16 114.38 1uub n LYS 39 Ca -0.09 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1uub n LYS 39 Cb 0.34 -4.66 0.00 0.00 0.00 0.00 0.00 35.03 30.71 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 -1.90 -1.06 -4.65 3.14 2.88 -1.08 -4.92 113.62 106.02 1uub n SER 40 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1uub n SER 40 Cb 0.49 -2.26 -0.10 0.00 -0.75 0.00 0.00 64.21 61.59 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 -1.65 4.95 0.00 -3.46 3.84 -0.52 -5.03 114.94 113.07 1uub s ASN 41 Ca 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.05 1uub s ASN 41 Cb 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 41.25 39.43 1uub s ASN 41 CO 0.00 0.31 0.00 -3.20 -2.79 0.00 0.00 177.10 171.42 1uub n ASN 42 N 1.68 0.00 -4.96 -4.21 2.85 -1.26 -4.74 115.26 104.62 1uub n ASN 42 Ca -0.16 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.11 1uub n ASN 42 Cb 0.53 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 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 3.19 0.00 1.20 0.08 -0.75 -4.93 117.98 116.76 1uub s PHE 43 Ca 0.00 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.89 1uub s PHE 43 Cb 0.00 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1uub s PHE 43 CO 0.00 0.18 0.20 0.36 -0.10 0.00 0.00 175.22 175.86 1uub n LYS 44 N -1.51 -0.13 -0.97 0.44 2.85 -1.26 -0.81 118.16 116.76 1uub n LYS 44 Ca -0.03 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.01 1uub n LYS 44 Cb 0.58 -0.64 0.00 0.00 -0.65 0.00 0.00 35.03 34.32 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uub n SER 45 N -0.02 0.00 0.02 -5.58 7.64 -1.26 -4.97 113.62 109.45 1uub n SER 45 Ca 0.00 -0.85 -0.19 0.00 1.01 0.00 0.00 58.87 58.84 1uub n SER 45 Cb 0.21 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 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 2.00 0.07 -0.58 -0.43 0.00 -2.00 -2.39 119.26 115.93 1uub h ALA 46 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1uub h ALA 46 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1uub h ALA 46 CO 0.00 0.46 0.25 1.05 0.00 0.00 0.00 179.25 181.02 1uub h GLU 47 N 0.04 0.83 0.63 0.00 4.11 -1.98 -0.07 114.58 118.13 1uub h GLU 47 Ca -0.10 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.18 1uub h GLU 47 Cb 1.48 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1uub h GLU 47 CO 0.15 0.67 -0.30 -0.44 0.07 0.00 0.00 179.01 179.16 1uub h ASP 48 N 0.83 -0.71 -0.96 3.06 3.32 -1.96 -1.46 116.42 118.53 1uub h ASP 48 Ca 0.20 -0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.42 1uub h ASP 48 Cb 0.13 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.78 1uub h ASP 48 CO -0.02 -0.37 0.61 0.00 -1.72 0.00 0.00 179.24 177.74 1uub h MET 50 N 0.65 -0.04 -0.06 0.00 2.86 -0.95 -1.20 114.93 116.18 1uub h MET 50 Ca 0.52 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.17 1uub h MET 50 Cb 0.96 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1uub h MET 50 CO -0.28 0.53 0.04 0.07 1.06 0.00 0.00 176.91 178.34 1uub h ARG 51 N -0.66 0.05 0.00 1.72 -0.00 -0.89 0.47 114.38 115.08 1uub h ARG 51 Ca -0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1uub h ARG 51 Cb 0.60 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1uub h ARG 51 CO 0.01 0.04 -0.29 1.15 -0.00 0.00 0.00 179.97 180.87 1uub h THR 52 N 0.05 0.41 0.00 0.08 2.02 -1.52 -3.44 112.91 110.51 1uub h THR 52 Ca 0.03 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1uub h THR 52 Cb 0.04 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1uub h THR 52 CO -0.00 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1uub n GLY 54 N 0.37 0.26 0.24 0.00 0.00 0.17 -4.95 105.19 101.28 1uub n GLY 54 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1uub n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uub h GLY 55 N 0.00 0.00 0.00 -0.02 0.00 -1.64 -3.45 103.07 97.97 1uub h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uub h GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54