#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 -1.29 0.00 2.11 3.01 -1.26 -4.52 117.46 115.51 1uub n PHE 2 Ca 0.00 0.64 0.00 0.00 1.01 0.00 0.00 57.45 59.10 1uub n PHE 2 Cb 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 39.48 36.76 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 -2.05 0.00 -0.31 0.00 -0.00 -1.14 -2.28 117.00 111.22 1uub n LEU 4 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 1uub n LEU 4 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1uub n LEU 4 CO 0.00 0.00 0.44 -0.62 -0.00 0.00 0.00 177.39 177.21 1uub n GLU 5 N -0.40 1.01 -0.28 1.47 -0.58 -1.26 -4.77 120.64 115.82 1uub n GLU 5 Ca 0.00 -1.23 0.14 0.00 -0.42 0.00 0.00 57.16 55.64 1uub n GLU 5 Cb 0.00 -1.14 0.39 0.00 -0.57 0.00 0.00 31.44 30.12 1uub n GLU 5 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1uub h PRO 6 N 1.26 0.63 -5.56 3.49 0.13 -1.84 -3.15 132.00 126.96 1uub h PRO 6 Ca 0.00 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 1uub h PRO 6 Cb 0.41 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1uub h PRO 6 CO 0.00 0.42 0.42 -1.25 -0.23 0.00 0.00 178.00 177.36 1uub s PRO 7 N -5.66 2.14 -0.57 1.56 0.04 -1.26 -4.76 135.00 126.48 1uub s PRO 7 Ca -0.10 0.05 -0.17 0.00 0.04 0.00 0.00 61.00 60.82 1uub s PRO 7 Cb 0.23 -4.94 0.12 0.00 0.04 0.00 0.00 34.50 29.95 1uub s PRO 7 CO 0.79 -3.85 0.59 0.71 0.04 0.00 0.00 177.00 175.28 1uub s TYR 8 N 12.15 3.15 -0.59 0.56 1.51 -1.26 -4.96 117.35 127.91 1uub s TYR 8 Ca 0.80 -1.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1uub s TYR 8 Cb -0.09 -3.89 0.29 0.00 -0.11 0.00 0.00 41.96 38.15 1uub s TYR 8 CO 0.03 -1.13 0.81 0.25 -1.11 0.00 0.00 175.55 174.40 1uub n THR 9 N 5.36 2.37 0.00 -0.71 -2.24 -1.26 -4.61 114.28 113.19 1uub n THR 9 Ca -0.12 -5.27 0.00 0.00 -2.27 0.00 0.00 64.05 56.39 1uub n THR 9 Cb 0.41 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 0.44 0.18 3.87 3.38 0.00 -1.26 -5.08 105.19 106.73 1uub n GLY 10 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 0.65 0.53 1.61 0.02 -1.26 -4.98 135.00 131.58 1uub s PRO 11 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 61.00 60.80 1uub s PRO 11 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1uub s PRO 11 CO 0.00 -2.44 0.00 0.00 -0.33 0.00 0.00 177.00 174.23 1uub n ARG 13 N -2.07 0.00 0.00 0.00 0.63 -1.23 -4.29 116.66 109.71 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1uub n ARG 13 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uub n ALA 14 N 1.47 0.34 -3.45 5.13 0.00 -1.26 -4.89 120.51 117.84 1uub n ALA 14 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1uub n ALA 14 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.90 -2.70 0.09 0.00 0.00 -1.26 -4.82 121.76 109.16 1uub s ALA 15 Ca 0.00 2.03 0.08 0.00 0.00 0.00 0.00 51.96 54.07 1uub s ALA 15 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1uub s ALA 15 CO 0.00 -0.73 -0.20 0.42 0.00 0.00 0.00 175.76 175.25 1uub s ILE 16 N 1.93 1.64 0.24 0.00 1.09 0.97 -4.98 121.20 122.09 1uub s ILE 16 Ca -0.04 -1.45 0.12 0.00 -1.10 0.00 0.00 60.65 58.18 1uub s ILE 16 Cb -0.04 -1.48 -0.05 0.00 -1.06 0.00 0.00 42.46 39.83 1uub s ILE 16 CO -0.16 -0.02 -0.22 -0.51 -0.10 0.00 0.00 174.94 173.93 1uub s ILE 17 N -1.10 2.43 -0.07 2.92 1.10 -1.26 -2.15 121.20 123.07 1uub s ILE 17 Ca 0.06 -2.26 0.00 0.00 -0.51 0.00 0.00 60.65 57.94 1uub s ILE 17 Cb -0.10 -2.23 0.00 0.00 0.15 0.00 0.00 42.46 40.28 1uub s ILE 17 CO 0.04 -0.29 0.00 0.54 -2.11 0.00 0.00 174.94 173.12 1uub n ARG 18 N -0.26 0.00 -4.47 3.50 1.74 -1.26 -4.49 116.66 111.41 1uub n ARG 18 Ca -0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 1uub n ARG 18 Cb 0.58 0.00 -0.10 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 -4.00 2.95 0.40 -1.55 1.51 0.19 -1.48 117.35 115.37 1uub s TYR 19 Ca 0.00 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 1uub s TYR 19 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1uub s TYR 19 CO 0.00 0.38 0.08 -0.59 -1.11 0.00 0.00 175.55 174.31 1uub s PHE 20 N -0.95 1.90 -0.35 2.71 -0.12 -0.71 -2.41 117.98 118.05 1uub s PHE 20 Ca 0.16 -1.08 -0.07 0.00 -0.05 0.00 0.00 56.93 55.88 1uub s PHE 20 Cb -0.11 -1.31 0.04 0.00 -0.63 0.00 0.00 43.02 41.01 1uub s PHE 20 CO 0.06 -0.06 0.13 -0.47 -0.05 0.00 0.00 175.22 174.83 1uub s TYR 21 N -3.15 3.26 -0.94 3.49 5.04 -1.26 0.71 117.35 124.50 1uub s TYR 21 Ca 0.26 -1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 53.53 1uub s TYR 21 Cb 0.05 -2.36 0.30 0.00 0.35 0.00 0.00 41.96 40.31 1uub s TYR 21 CO 0.13 -0.72 1.36 -1.71 -1.34 0.00 0.00 175.55 173.27 1uub n ASN 22 N 4.85 5.94 -1.24 4.32 5.15 0.17 -2.89 115.26 131.55 1uub n ASN 22 Ca -0.12 -3.50 0.00 0.00 -0.60 0.00 0.00 54.58 50.36 1uub n ASN 22 Cb 0.45 -1.07 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 0.82 1.40 0.00 5.20 0.00 -0.96 -0.19 120.51 126.78 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 0.34 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.17 0.00 0.00 0.00 4.01 -1.26 -4.81 118.16 117.26 1uub n LYS 24 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1uub n LYS 24 Cb 0.00 -0.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub n ALA 25 N -2.61 0.00 -0.27 7.82 0.00 -0.90 -4.84 120.51 119.71 1uub n ALA 25 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1uub n ALA 25 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 1.77 -0.81 4.05 0.00 0.00 -1.23 -5.01 105.19 103.95 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 -4.10 0.99 4.32 0.74 -4.93 117.00 114.01 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 0.07 -0.02 -0.17 0.00 -1.62 0.00 0.00 43.42 41.68 1uub n LEU 27 CO 0.00 0.00 -0.51 0.00 -1.22 0.00 0.00 177.39 175.66 1uub n GLN 29 N 4.05 1.48 -3.71 0.00 0.00 0.22 -4.64 117.38 114.78 1uub n GLN 29 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.68 1uub n GLN 29 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.69 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 1.34 0.07 0.00 1.69 -4.23 -1.25 -1.74 115.64 111.52 1uub s THR 30 Ca 0.00 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1uub s THR 30 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1uub s THR 30 CO 0.00 -0.32 0.00 2.22 -0.54 0.00 0.00 174.62 175.98 1uub n PHE 31 N 0.52 0.00 0.00 3.99 -1.74 -0.55 -4.71 117.46 114.97 1uub n PHE 31 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.71 1uub n PHE 31 Cb 0.60 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.60 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 -1.22 -4.11 118.33 118.11 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 -3.00 1.45 4.11 -0.91 -4.52 117.16 114.29 1uub n TYR 33 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 1uub n TYR 33 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 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 -0.37 1.07 0.00 -7.48 0.00 -1.26 -0.02 105.19 97.13 1uub n GLY 34 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 2.13 -1.10 7.00 -0.02 0.00 -1.26 -3.49 105.19 108.44 1uub n GLY 35 Ca 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.25 0.91 -1.14 0.00 0.00 -1.26 -4.76 116.66 110.16 1uub n ARG 37 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1uub n ARG 37 Cb 0.00 -1.04 -0.04 0.00 -0.00 0.00 0.00 32.46 31.38 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 0.67 -0.14 -1.93 2.89 0.00 -1.24 -2.60 120.51 118.15 1uub n ALA 38 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 1uub n ALA 38 Cb 0.46 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.94 -2.00 0.00 0.00 3.00 -1.26 -3.77 118.16 113.18 1uub n LYS 39 Ca -0.09 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1uub n LYS 39 Cb 0.43 -4.69 0.00 0.00 0.00 0.00 0.00 35.03 30.77 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 -0.84 0.00 -4.61 3.14 2.88 -1.07 -4.82 113.62 108.30 1uub n SER 40 Ca -0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.04 1uub n SER 40 Cb 0.41 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 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 5.71 -0.35 -3.46 2.47 -1.25 -4.85 114.94 113.21 1uub s ASN 41 Ca 0.00 1.93 -0.02 0.00 0.42 0.00 0.00 52.86 55.19 1uub s ASN 41 Cb 0.00 -2.52 0.19 0.00 -1.45 0.00 0.00 41.25 37.47 1uub s ASN 41 CO 0.00 -1.75 0.87 0.21 -3.72 0.00 0.00 177.10 172.71 1uub s ASN 42 N 7.20 -0.85 0.00 -4.21 3.84 -1.26 -4.81 114.94 114.84 1uub s ASN 42 Ca 0.94 -0.38 0.00 0.00 0.21 0.00 0.00 52.86 53.63 1uub s ASN 42 Cb -0.33 1.12 0.00 0.00 -0.55 0.00 0.00 41.25 41.49 1uub s ASN 42 CO 0.36 -0.10 0.00 2.22 -2.79 0.00 0.00 177.10 176.79 1uub n PHE 43 N 4.11 0.00 -2.18 0.43 1.16 -1.01 -4.99 117.46 114.97 1uub n PHE 43 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.63 1uub n PHE 43 Cb 0.60 0.00 0.02 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 0.00 0.38 -3.92 3.97 4.81 -1.26 0.54 118.16 122.69 1uub n LYS 44 Ca 0.00 -0.63 -0.08 0.00 -0.87 0.00 0.00 58.31 56.72 1uub n LYS 44 Cb 0.00 0.38 -0.03 0.00 0.02 0.00 0.00 35.03 35.40 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 -0.61 -0.12 0.05 3.14 0.01 -1.26 -4.91 113.70 109.99 1uub s SER 45 Ca 0.03 -0.82 -0.19 0.00 1.31 0.00 0.00 55.95 56.27 1uub s SER 45 Cb 0.13 0.68 -0.14 0.00 0.21 0.00 0.00 66.02 66.90 1uub s SER 45 CO -0.04 -1.30 1.33 0.00 0.41 0.00 0.00 173.24 173.65 1uub h ALA 46 N 2.10 0.24 0.00 1.44 0.00 -2.02 0.19 119.26 121.21 1uub h ALA 46 Ca -0.23 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1uub h ALA 46 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1uub h ALA 46 CO 0.30 0.18 -0.28 1.49 0.00 0.00 0.00 179.25 180.94 1uub h GLU 47 N 0.06 0.00 0.26 0.00 4.57 -1.98 -0.31 114.58 117.18 1uub h GLU 47 Ca 0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1uub h GLU 47 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1uub h GLU 47 CO 0.05 0.28 -0.12 -0.44 -1.18 0.00 0.00 179.01 177.60 1uub h ASP 48 N 0.00 -0.30 -0.82 1.04 5.19 -1.93 -0.92 116.42 118.68 1uub h ASP 48 Ca -0.00 -0.23 0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1uub h ASP 48 Cb 0.51 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.04 1uub h ASP 48 CO 0.04 0.15 0.54 0.00 -3.12 0.00 0.00 179.24 176.84 1uub h MET 50 N 0.70 0.35 0.00 0.00 2.86 -1.05 -2.47 114.93 115.31 1uub h MET 50 Ca 0.39 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1uub h MET 50 Cb 0.57 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1uub h MET 50 CO -0.16 1.01 -0.01 0.07 1.06 0.00 0.00 176.91 178.88 1uub h ARG 51 N -0.19 0.00 0.00 1.72 -0.00 -0.74 0.90 114.38 116.07 1uub h ARG 51 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.84 1uub h ARG 51 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 1uub h ARG 51 CO 0.09 0.01 -0.52 1.15 -0.00 0.00 0.00 179.97 180.70 1uub h THR 52 N 0.00 1.17 0.00 0.08 2.02 -1.53 -3.41 112.91 111.24 1uub h THR 52 Ca -0.00 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1uub h THR 52 Cb 0.03 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1uub h THR 52 CO 0.00 0.40 -0.01 0.00 0.37 0.00 0.00 175.52 176.28 1uub h GLY 54 N 0.00 0.90 0.00 0.00 0.00 0.86 -3.48 103.07 101.35 1uub h GLY 54 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1uub h GLY 54 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1uub n GLY 55 N -0.19 1.11 0.74 4.60 0.00 0.14 -4.98 105.19 106.60 1uub n GLY 55 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32