#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 -0.57 0.00 2.11 1.16 -1.26 -4.10 117.46 114.79 1uub n PHE 2 Ca 0.00 0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.86 1uub n PHE 2 Cb 0.00 -0.80 0.00 0.00 -1.61 0.00 0.00 39.48 37.07 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uub n LEU 4 N -2.36 0.00 -4.44 0.00 -0.00 -0.68 -1.07 117.00 108.45 1uub n LEU 4 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 1uub n LEU 4 Cb 0.00 0.39 0.07 0.00 -0.00 0.00 0.00 43.42 43.87 1uub n LEU 4 CO 0.00 -0.39 -0.02 -0.62 -0.00 0.00 0.00 177.39 176.37 1uub n GLU 5 N -2.27 0.26 -1.63 1.47 -0.58 -1.26 -4.63 120.64 111.99 1uub n GLU 5 Ca 0.00 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.45 1uub n GLU 5 Cb 0.00 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.08 1uub n GLU 5 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1uub s PRO 6 N -2.67 2.95 0.09 3.49 0.04 -1.26 -1.44 135.00 136.20 1uub s PRO 6 Ca 0.64 1.85 -0.36 0.00 0.04 0.00 0.00 61.00 63.17 1uub s PRO 6 Cb -0.35 -4.40 -0.18 0.00 0.04 0.00 0.00 34.50 29.61 1uub s PRO 6 CO 0.59 -2.31 1.04 -2.30 0.04 0.00 0.00 177.00 174.07 1uub n PRO 7 N 8.79 0.47 -1.63 0.56 -0.01 -1.26 -4.62 135.00 137.30 1uub n PRO 7 Ca 0.30 0.17 -0.46 0.00 -0.01 0.00 0.00 63.50 63.51 1uub n PRO 7 Cb 0.47 -1.61 -0.04 0.00 -0.01 0.00 0.00 33.50 32.31 1uub n PRO 7 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 175.50 177.97 1uub n TYR 8 N 1.41 2.21 -3.14 6.00 4.11 -1.26 -4.93 117.16 121.56 1uub n TYR 8 Ca 0.18 -0.11 -0.18 0.00 -0.00 0.00 0.00 57.90 57.79 1uub n TYR 8 Cb 0.17 -2.71 -0.06 0.00 -0.00 0.00 0.00 39.34 36.74 1uub n TYR 8 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1uub n THR 9 N 6.16 -0.74 0.00 -3.48 -2.24 -1.26 -4.61 114.28 108.10 1uub n THR 9 Ca 0.26 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 59.55 1uub n THR 9 Cb 0.36 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 2.85 -0.86 3.75 3.38 0.00 -1.26 -5.15 105.19 107.89 1uub n GLY 10 Ca 0.25 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.94 0.51 1.61 0.02 -1.26 -4.93 135.00 131.88 1uub s PRO 11 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.40 1uub s PRO 11 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1uub s PRO 11 CO 0.00 -2.35 0.00 0.00 -0.33 0.00 0.00 177.00 174.32 1uub n ARG 13 N -1.40 0.00 0.00 0.00 1.74 -1.23 -4.13 116.66 111.64 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 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 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 0.95 0.00 -3.26 7.54 0.00 -1.26 -4.87 120.51 119.60 1uub n ALA 14 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1uub n ALA 14 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -4.81 -3.09 0.07 0.00 0.00 -1.26 -4.88 121.76 107.79 1uub s ALA 15 Ca 0.00 1.78 0.09 0.00 0.00 0.00 0.00 51.96 53.83 1uub s ALA 15 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1uub s ALA 15 CO 0.00 -1.13 -0.25 0.42 0.00 0.00 0.00 175.76 174.80 1uub s ILE 16 N 2.53 2.01 0.22 0.00 1.09 0.38 -5.00 121.20 122.43 1uub s ILE 16 Ca -0.01 -1.44 0.12 0.00 -1.10 0.00 0.00 60.65 58.21 1uub s ILE 16 Cb -0.06 -1.75 -0.05 0.00 -1.06 0.00 0.00 42.46 39.54 1uub s ILE 16 CO -0.15 0.23 -0.22 -0.51 -0.10 0.00 0.00 174.94 174.18 1uub s ILE 17 N -0.89 2.42 0.00 2.92 1.10 -1.26 -1.91 121.20 123.58 1uub s ILE 17 Ca 0.11 -2.14 0.00 0.00 -0.51 0.00 0.00 60.65 58.11 1uub s ILE 17 Cb -0.10 -2.20 0.00 0.00 0.15 0.00 0.00 42.46 40.31 1uub s ILE 17 CO 0.03 -0.21 0.00 0.54 -2.11 0.00 0.00 174.94 173.19 1uub n ARG 18 N -0.02 0.00 -4.36 3.50 1.74 -1.26 -4.55 116.66 111.71 1uub n ARG 18 Ca -0.10 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.63 1uub n ARG 18 Cb 0.57 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.92 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 0.17 3.17 0.27 -1.55 1.51 0.66 -1.84 117.35 119.74 1uub s TYR 19 Ca 0.00 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1uub s TYR 19 Cb 0.00 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 40.00 1uub s TYR 19 CO 0.00 0.46 0.05 -0.59 -1.11 0.00 0.00 175.55 174.36 1uub s PHE 20 N -0.85 1.70 -0.21 2.71 -0.12 -0.75 -1.95 117.98 118.51 1uub s PHE 20 Ca 0.13 -1.01 -0.03 0.00 -0.05 0.00 0.00 56.93 55.97 1uub s PHE 20 Cb -0.11 -1.03 -0.01 0.00 -0.63 0.00 0.00 43.02 41.23 1uub s PHE 20 CO 0.02 -0.11 -0.07 -0.47 -0.05 0.00 0.00 175.22 174.54 1uub s TYR 21 N -3.48 2.93 -0.60 3.49 5.04 -1.26 0.96 117.35 124.42 1uub s TYR 21 Ca 0.34 -0.96 0.05 0.00 -2.44 0.00 0.00 57.07 54.06 1uub s TYR 21 Cb 0.07 -2.06 0.31 0.00 0.35 0.00 0.00 41.96 40.64 1uub s TYR 21 CO 0.13 -0.53 0.90 -1.71 -1.34 0.00 0.00 175.55 173.00 1uub n ASN 22 N 4.62 4.32 -0.91 4.32 5.15 0.28 -1.69 115.26 131.35 1uub n ASN 22 Ca -0.18 -3.62 0.00 0.00 -0.60 0.00 0.00 54.58 50.18 1uub n ASN 22 Cb 0.51 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 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 0.09 1.01 0.00 5.20 0.00 -0.23 -0.14 120.51 126.43 1uub n ALA 23 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1uub n ALA 23 Cb 0.39 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.71 0.00 -0.01 0.00 4.76 -1.26 -4.79 118.16 117.57 1uub n LYS 24 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1uub n LYS 24 Cb 0.00 -0.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uub h ALA 25 N 0.00 0.00 0.00 7.82 0.00 -1.89 -3.44 119.26 121.75 1uub h ALA 25 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uub h ALA 25 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uub h ALA 25 CO 0.00 0.01 -0.02 0.41 0.00 0.00 0.00 179.25 179.65 1uub n GLY 26 N 1.93 -2.67 7.00 0.00 0.00 -1.24 -5.12 105.19 105.09 1uub n GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -4.60 0.99 4.32 0.80 -4.86 117.00 113.65 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 0.51 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 1uub n LEU 27 CO 0.00 0.00 1.39 0.00 -1.22 0.00 0.00 177.39 177.56 1uub n GLN 29 N 5.55 2.90 -3.77 0.00 0.00 0.27 -4.78 117.38 117.56 1uub n GLN 29 Ca 0.36 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.26 1uub n GLN 29 Cb 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.19 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 1.28 0.10 0.00 1.69 -4.23 -1.26 -1.81 115.64 111.42 1uub s THR 30 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1uub s THR 30 Cb 0.00 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1uub s THR 30 CO 0.00 -0.46 0.00 2.22 -0.54 0.00 0.00 174.62 175.84 1uub n PHE 31 N 0.22 0.00 0.00 3.99 -1.74 -0.77 -4.72 117.46 114.45 1uub n PHE 31 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 1uub n PHE 31 Cb 0.61 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.61 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 -1.23 -4.17 118.33 118.05 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 -3.12 1.45 4.11 -0.80 -4.41 117.16 114.39 1uub n TYR 33 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 1uub n TYR 33 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1uub n TYR 33 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1uub s GLY 34 N 0.00 0.09 0.12 -7.48 0.00 -1.26 -0.47 107.32 98.32 1uub s GLY 34 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1uub s GLY 34 CO 0.00 2.81 0.00 0.61 0.00 0.00 0.00 173.10 176.52 1uub n GLY 35 N 2.94 -2.12 7.00 0.20 0.00 -1.26 -3.53 105.19 108.42 1uub n GLY 35 Ca 0.24 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.33 0.86 -1.44 0.00 0.00 -1.26 -4.76 116.66 109.73 1uub n ARG 37 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1uub n ARG 37 Cb 0.00 -1.09 -0.05 0.00 -0.00 0.00 0.00 32.46 31.32 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 0.54 -0.23 -1.83 2.89 0.00 -1.25 -3.04 120.51 117.59 1uub n ALA 38 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1uub n ALA 38 Cb 0.42 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.90 -2.02 0.00 0.00 3.00 -1.26 -2.47 118.16 113.50 1uub n LYS 39 Ca -0.13 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1uub n LYS 39 Cb 0.43 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 32.83 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 -0.90 0.00 -4.56 3.14 2.88 -1.17 -4.86 113.62 108.15 1uub n SER 40 Ca 0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.14 1uub n SER 40 Cb 0.29 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.22 6.47 -0.34 -3.46 3.04 -1.03 -4.86 114.94 114.54 1uub s ASN 41 Ca 0.00 -1.54 0.05 0.00 0.04 0.00 0.00 52.86 51.41 1uub s ASN 41 Cb 0.00 -2.57 0.17 0.00 -1.54 0.00 0.00 41.25 37.31 1uub s ASN 41 CO 0.00 -1.53 0.49 0.21 -3.04 0.00 0.00 177.10 173.23 1uub s ASN 42 N 5.04 -0.27 0.00 -4.21 3.84 -1.26 -4.67 114.94 113.41 1uub s ASN 42 Ca 0.48 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.85 1uub s ASN 42 Cb 0.00 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 42.06 1uub s ASN 42 CO -0.07 -0.27 0.00 0.49 -2.79 0.00 0.00 177.10 174.46 1uub n PHE 43 N 4.83 0.00 -1.55 0.43 3.01 -0.82 -5.00 117.46 118.35 1uub n PHE 43 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1uub n PHE 43 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1uub n PHE 43 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uub n LYS 44 N 0.00 0.00 -4.09 -1.08 4.81 -1.26 -0.25 118.16 116.29 1uub n LYS 44 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1uub n LYS 44 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1uub n LYS 44 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1uub s SER 45 N 0.00 0.52 0.23 3.14 1.04 -1.26 -4.82 113.70 112.55 1uub s SER 45 Ca 0.00 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.06 1uub s SER 45 Cb 0.00 0.58 0.23 0.00 0.10 0.00 0.00 66.02 66.93 1uub s SER 45 CO 0.00 -1.16 1.75 0.00 0.98 0.00 0.00 173.24 174.81 1uub h ALA 46 N 2.25 1.04 -0.67 5.32 0.00 -2.02 0.53 119.26 125.71 1uub h ALA 46 Ca -0.29 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1uub h ALA 46 Cb 1.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1uub h ALA 46 CO 0.40 0.62 0.12 1.05 0.00 0.00 0.00 179.25 181.44 1uub h GLU 47 N 0.94 1.10 0.56 0.00 4.11 -1.98 -0.09 114.58 119.21 1uub h GLU 47 Ca 0.19 -0.29 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1uub h GLU 47 Cb 0.38 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1uub h GLU 47 CO 0.01 1.00 -0.27 -0.44 0.07 0.00 0.00 179.01 179.38 1uub h ASP 48 N 1.03 -0.63 -0.99 3.06 3.32 -1.91 -1.30 116.42 119.00 1uub h ASP 48 Ca 0.20 -0.03 0.21 0.00 0.02 0.00 0.00 57.03 57.43 1uub h ASP 48 Cb 0.43 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.04 1uub h ASP 48 CO 0.01 -0.25 0.62 0.00 -1.72 0.00 0.00 179.24 177.90 1uub h MET 50 N 0.64 0.13 0.00 0.00 2.86 -1.01 -1.92 114.93 115.63 1uub h MET 50 Ca 0.57 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1uub h MET 50 Cb 1.05 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1uub h MET 50 CO -0.34 0.81 -0.02 0.07 1.06 0.00 0.00 176.91 178.49 1uub h ARG 51 N -0.51 0.00 0.00 1.72 -0.00 -0.64 0.60 114.38 115.55 1uub h ARG 51 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1uub h ARG 51 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.81 1uub h ARG 51 CO 0.03 0.02 -0.13 1.15 -0.00 0.00 0.00 179.97 181.04 1uub h THR 52 N 0.00 0.26 0.00 0.08 2.02 -1.35 -3.45 112.91 110.47 1uub h THR 52 Ca -0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1uub h THR 52 Cb 0.04 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1uub h THR 52 CO 0.00 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1uub h GLY 54 N 0.00 0.61 0.00 0.00 0.00 0.73 -3.48 103.07 100.93 1uub h GLY 54 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1uub h GLY 54 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 176.54 177.89 1uub n GLY 55 N 0.66 1.48 0.11 4.60 0.00 0.11 -4.97 105.19 107.18 1uub n GLY 55 Ca -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32