#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 -1.16 0.00 1.24 -1.74 -1.25 -4.41 117.46 110.14 1uub n PHE 2 Ca 0.00 0.36 0.00 0.00 -0.56 0.00 0.00 57.45 57.25 1uub n PHE 2 Cb 0.00 -1.24 0.00 0.00 1.52 0.00 0.00 39.48 39.76 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 -0.91 0.00 -4.85 0.00 -0.00 -1.00 0.26 117.00 110.51 1uub n LEU 4 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1uub n LEU 4 Cb 0.00 0.15 0.04 0.00 -0.00 0.00 0.00 43.42 43.61 1uub n LEU 4 CO 0.00 -0.17 0.72 -1.61 -0.00 0.00 0.00 177.39 176.33 1uub s GLU 5 N -1.34 3.07 -0.35 1.47 2.02 -1.26 -4.60 118.70 117.70 1uub s GLU 5 Ca 0.00 0.73 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 1uub s GLU 5 Cb 0.00 -2.02 -0.08 0.00 0.10 0.00 0.00 34.13 32.12 1uub s GLU 5 CO 0.00 -0.95 2.27 -2.30 0.02 0.00 0.00 175.26 174.30 1uub n PRO 6 N -3.00 1.40 -0.92 0.39 -0.02 -1.26 -1.53 135.00 130.06 1uub n PRO 6 Ca 0.07 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1uub n PRO 6 Cb 0.55 -2.94 0.12 0.00 -0.02 0.00 0.00 33.50 31.21 1uub n PRO 6 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uub n PRO 7 N 8.61 -0.12 -2.13 0.52 -0.04 -1.26 -4.20 135.00 136.37 1uub n PRO 7 Ca 0.37 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 1uub n PRO 7 Cb 0.37 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1uub n PRO 7 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1uub s TYR 8 N -2.30 2.02 -0.44 0.54 1.51 -1.26 -4.92 117.35 112.50 1uub s TYR 8 Ca 0.64 0.64 0.05 0.00 -1.01 0.00 0.00 57.07 57.39 1uub s TYR 8 Cb -0.26 -4.20 0.17 0.00 -0.11 0.00 0.00 41.96 37.57 1uub s TYR 8 CO 0.61 -2.55 0.48 0.95 -1.11 0.00 0.00 175.55 173.93 1uub s THR 9 N 6.48 -0.27 0.11 -0.71 -4.23 -1.26 -4.41 115.64 111.34 1uub s THR 9 Ca 0.72 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1uub s THR 9 Cb -0.18 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1uub s THR 9 CO 0.32 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1uub n GLY 10 N 3.18 -1.74 3.50 3.99 0.00 -1.26 -4.99 105.19 107.87 1uub n GLY 10 Ca 0.22 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.64 -1.46 0.00 1.61 0.02 -1.26 -4.18 135.00 128.09 1uub s PRO 11 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.24 1uub s PRO 11 Cb 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 32.98 1uub s PRO 11 CO 0.00 -3.93 0.00 0.00 -0.33 0.00 0.00 177.00 172.74 1uub n ARG 13 N 0.00 0.00 0.00 0.00 -4.01 -1.26 -4.74 116.66 106.65 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1uub n ARG 13 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1uub n ALA 14 N -3.00 0.00 -3.15 2.89 0.00 -1.26 -4.79 120.51 111.20 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -4.23 -3.71 -0.16 0.00 0.00 -1.26 -4.37 121.76 108.03 1uub s ALA 15 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 1uub s ALA 15 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1uub s ALA 15 CO 0.00 -1.85 0.10 0.42 0.00 0.00 0.00 175.76 174.43 1uub s ILE 16 N 2.95 5.17 0.23 0.00 1.01 -0.94 -5.04 121.20 124.57 1uub s ILE 16 Ca 0.16 0.09 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1uub s ILE 16 Cb -0.05 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1uub s ILE 16 CO -0.19 0.52 -0.19 -0.51 0.00 0.00 0.00 174.94 174.57 1uub s ILE 17 N -0.22 2.58 0.00 2.92 1.10 -1.26 -1.64 121.20 124.68 1uub s ILE 17 Ca 0.09 -2.10 0.00 0.00 -0.51 0.00 0.00 60.65 58.13 1uub s ILE 17 Cb -0.12 -2.30 0.00 0.00 0.15 0.00 0.00 42.46 40.20 1uub s ILE 17 CO 0.01 -0.23 0.00 -1.14 -2.11 0.00 0.00 174.94 171.47 1uub n ARG 18 N -0.15 0.00 -3.95 3.50 3.00 -1.26 -4.51 116.66 113.29 1uub n ARG 18 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.40 1uub n ARG 18 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.96 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 -0.35 3.46 0.38 -0.14 1.51 -0.17 -1.63 117.35 120.41 1uub s TYR 19 Ca 0.00 0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.48 1uub s TYR 19 Cb 0.00 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1uub s TYR 19 CO 0.00 0.55 0.08 -0.59 -1.11 0.00 0.00 175.55 174.49 1uub s PHE 20 N -0.60 1.88 -0.28 2.71 -0.12 -0.48 -1.81 117.98 119.27 1uub s PHE 20 Ca 0.12 -1.10 -0.09 0.00 -0.05 0.00 0.00 56.93 55.81 1uub s PHE 20 Cb -0.12 -1.26 -0.02 0.00 -0.63 0.00 0.00 43.02 40.99 1uub s PHE 20 CO 0.02 -0.11 0.12 -0.47 -0.05 0.00 0.00 175.22 174.74 1uub s TYR 21 N -3.21 3.15 -0.69 3.49 5.04 -1.23 0.64 117.35 124.53 1uub s TYR 21 Ca 0.28 -0.49 0.05 0.00 -2.44 0.00 0.00 57.07 54.47 1uub s TYR 21 Cb 0.05 -2.31 0.23 0.00 0.35 0.00 0.00 41.96 40.28 1uub s TYR 21 CO 0.14 -0.40 0.72 -1.71 -1.34 0.00 0.00 175.55 172.95 1uub n ASN 22 N 4.96 3.71 -1.48 4.32 5.15 0.87 -0.97 115.26 131.82 1uub n ASN 22 Ca -0.15 -3.37 0.00 0.00 -0.60 0.00 0.00 54.58 50.46 1uub n ASN 22 Cb 0.50 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 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 1.22 1.51 0.00 5.20 0.00 0.14 0.07 120.51 128.65 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 0.39 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.48 0.00 -0.01 0.00 4.01 -1.26 -4.84 118.16 117.54 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 -0.42 -0.00 0.00 -0.51 0.00 0.00 35.03 34.10 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 -1.88 -3.45 119.26 121.75 1uub h ALA 25 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1uub h ALA 25 Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1uub h ALA 25 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1uub n GLY 26 N 1.77 -0.12 3.53 0.00 0.00 -1.23 -5.01 105.19 104.13 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 -0.03 0.00 -3.91 0.99 4.32 0.11 -4.94 117.00 113.54 1uub n LEU 27 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1uub n LEU 27 Cb 0.18 -0.13 -0.17 0.00 -1.62 0.00 0.00 43.42 41.69 1uub n LEU 27 CO 0.00 0.00 -0.43 0.00 -1.22 0.00 0.00 177.39 175.74 1uub n GLN 29 N 4.39 0.52 -3.87 0.00 0.00 0.21 -4.66 117.38 113.97 1uub n GLN 29 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.71 1uub n GLN 29 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.65 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 1.79 0.08 0.00 1.69 -4.23 -1.25 -1.39 115.64 112.33 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 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.40 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 1.44 0.00 0.00 3.99 -1.74 -0.64 -4.69 117.46 115.82 1uub n PHE 31 Ca -0.23 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 1uub n PHE 31 Cb 0.55 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.55 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 0.00 0.00 -2.77 1.97 0.31 -1.18 -4.31 118.33 112.35 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 -3.73 3.52 4.11 -0.65 -4.24 117.16 116.17 1uub n TYR 33 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.63 1uub n TYR 33 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.17 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 0.68 0.00 -7.48 0.00 -1.26 -2.21 107.32 97.05 1uub s GLY 34 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1uub s GLY 34 CO 0.00 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.12 1uub n GLY 35 N 5.06 0.00 0.00 0.20 0.00 -1.26 -4.63 105.19 104.56 1uub n GLY 35 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.68 -1.57 0.00 0.00 -1.26 -4.88 116.66 111.64 1uub n ARG 37 Ca 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 57.85 56.28 1uub n ARG 37 Cb 0.00 -1.82 -0.02 0.00 -0.00 0.00 0.00 32.46 30.61 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 0.21 -0.32 -2.54 2.89 0.00 -1.26 -2.57 120.51 116.92 1uub n ALA 38 Ca 0.16 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1uub n ALA 38 Cb 0.76 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.82 -2.75 0.00 0.00 3.00 -1.26 -2.87 118.16 112.46 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 0.33 -4.72 0.00 0.00 0.00 0.00 0.00 35.03 30.65 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 -1.62 0.00 0.00 3.14 2.88 -1.06 -4.85 113.62 112.11 1uub n SER 40 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1uub n SER 40 Cb 0.53 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.23 0.00 -1.84 -3.46 5.15 -1.14 -5.02 115.26 109.18 1uub n ASN 41 Ca 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1uub n ASN 41 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1uub n ASN 41 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1uub n ASN 42 N 0.00 -3.35 -0.62 1.20 2.85 -1.26 -5.05 115.26 109.03 1uub n ASN 42 Ca 0.00 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1uub n ASN 42 Cb 0.00 -2.24 0.00 0.00 1.24 0.00 0.00 39.78 38.78 1uub n ASN 42 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1uub n PHE 43 N 0.25 0.00 -1.92 1.20 3.01 -0.75 -4.98 117.46 114.28 1uub n PHE 43 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 1uub n PHE 43 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 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 -3.83 -1.08 4.81 -1.26 -1.00 118.16 115.79 1uub n LYS 44 Ca 0.00 -0.36 -0.09 0.00 -0.87 0.00 0.00 58.31 56.99 1uub n LYS 44 Cb 0.00 0.20 -0.04 0.00 0.02 0.00 0.00 35.03 35.22 1uub n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1uub s SER 45 N -0.36 -0.23 0.27 3.14 0.15 -1.26 -4.96 113.70 110.46 1uub s SER 45 Ca 0.00 -0.62 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 1uub s SER 45 Cb 0.00 0.62 0.38 0.00 -1.71 0.00 0.00 66.02 65.32 1uub s SER 45 CO 0.00 -1.16 1.77 0.00 1.20 0.00 0.00 173.24 175.05 1uub h ALA 46 N 2.15 1.14 -0.60 5.45 0.00 -2.02 0.22 119.26 125.60 1uub h ALA 46 Ca -0.25 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1uub h ALA 46 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1uub h ALA 46 CO 0.33 0.55 0.02 1.05 0.00 0.00 0.00 179.25 181.20 1uub h GLU 47 N 0.65 1.03 0.61 0.00 4.11 -1.98 -0.17 114.58 118.83 1uub h GLU 47 Ca 0.12 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.22 1uub h GLU 47 Cb 0.47 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1uub h GLU 47 CO 0.02 0.99 -0.29 -0.44 0.07 0.00 0.00 179.01 179.36 1uub h ASP 48 N 0.95 -0.69 -0.98 3.06 3.32 -1.87 -1.30 116.42 118.90 1uub h ASP 48 Ca 0.17 -0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.46 1uub h ASP 48 Cb 0.52 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.12 1uub h ASP 48 CO 0.03 -0.31 0.55 0.00 -1.72 0.00 0.00 179.24 177.79 1uub h MET 50 N 0.54 0.12 0.00 0.00 2.86 -1.02 -1.54 114.93 115.88 1uub h MET 50 Ca 0.63 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 58.15 1uub h MET 50 Cb 1.20 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1uub h MET 50 CO -0.49 0.72 -0.12 0.07 1.06 0.00 0.00 176.91 178.14 1uub h ARG 51 N -0.45 0.00 0.09 1.72 -0.00 -0.31 0.49 114.38 115.92 1uub h ARG 51 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1uub h ARG 51 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.70 1uub h ARG 51 CO 0.02 0.12 -0.04 1.15 -0.00 0.00 0.00 179.97 181.22 1uub h THR 52 N 0.00 0.00 0.00 0.08 2.02 -1.04 -3.43 112.91 110.55 1uub h THR 52 Ca -0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1uub h THR 52 Cb 0.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1uub h THR 52 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1uub h GLY 54 N 0.00 0.19 0.00 0.00 0.00 0.74 -3.48 103.07 100.52 1uub h GLY 54 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1uub h GLY 54 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 176.54 177.48 1uub n GLY 55 N 1.23 -0.06 0.87 4.60 0.00 0.10 -4.96 105.19 106.97 1uub n GLY 55 Ca -0.10 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32