#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 -4.57 117.46 115.88 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 -0.64 -1.61 -4.52 0.00 -0.00 -1.22 0.48 117.00 109.48 1uub n LEU 4 Ca 0.00 0.46 -0.36 0.00 -0.00 0.00 0.00 56.01 56.10 1uub n LEU 4 Cb 0.00 1.67 0.07 0.00 -0.00 0.00 0.00 43.42 45.16 1uub n LEU 4 CO 0.00 -0.28 0.23 -0.62 -0.00 0.00 0.00 177.39 176.72 1uub n GLU 5 N -3.09 0.44 -1.52 1.47 1.02 -1.26 -4.53 120.64 113.17 1uub n GLU 5 Ca 0.00 0.19 -0.37 0.00 -0.02 0.00 0.00 57.16 56.96 1uub n GLU 5 Cb 0.00 -1.94 -0.11 0.00 -0.02 0.00 0.00 31.44 29.37 1uub n GLU 5 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1uub n PRO 6 N -0.93 0.38 -1.76 3.49 -0.04 -1.26 0.27 135.00 135.16 1uub n PRO 6 Ca 0.11 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1uub n PRO 6 Cb 0.49 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1uub n PRO 6 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1uub s PRO 7 N 8.65 4.13 -0.03 0.54 0.02 -1.26 -4.51 135.00 142.54 1uub s PRO 7 Ca 1.21 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 64.52 1uub s PRO 7 Cb -0.82 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 30.58 1uub s PRO 7 CO 0.40 -0.70 1.50 0.71 -0.33 0.00 0.00 177.00 178.57 1uub s TYR 8 N 0.77 2.50 -0.16 6.54 1.51 -1.26 -4.91 117.35 122.34 1uub s TYR 8 Ca 0.71 0.57 0.10 0.00 -1.01 0.00 0.00 57.07 57.43 1uub s TYR 8 Cb -0.49 -3.76 -0.14 0.00 -0.11 0.00 0.00 41.96 37.46 1uub s TYR 8 CO 0.37 -3.00 0.28 0.25 -1.11 0.00 0.00 175.55 172.35 1uub n THR 9 N 5.06 0.00 -2.71 -0.71 -2.24 -1.26 -3.78 114.28 108.63 1uub n THR 9 Ca 0.15 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1uub n THR 9 Cb 0.43 0.53 0.09 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.70 -0.24 0.13 3.38 0.00 -1.26 -1.99 105.19 106.91 1uub n GLY 10 Ca -0.01 0.35 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 2.85 0.43 0.00 1.61 0.11 -1.64 -3.43 132.00 131.93 1uub h PRO 11 Ca -0.18 -0.71 0.00 0.00 0.11 0.00 0.00 66.00 65.22 1uub h PRO 11 Cb 1.14 0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1uub h PRO 11 CO 0.09 1.34 -0.37 0.00 -0.21 0.00 0.00 178.00 178.85 1uub n ARG 13 N -3.74 2.91 0.00 0.00 1.74 0.44 -4.85 116.66 113.16 1uub n ARG 13 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1uub n ARG 13 Cb 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 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 -3.48 7.54 0.00 -1.26 -4.66 120.51 115.65 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.42 -0.01 0.00 0.00 -1.26 -4.11 121.76 109.97 1uub s ALA 15 Ca 0.00 2.14 0.06 0.00 0.00 0.00 0.00 51.96 54.15 1uub s ALA 15 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1uub s ALA 15 CO 0.00 -1.00 -0.18 0.42 0.00 0.00 0.00 175.76 175.01 1uub s ILE 16 N 2.70 1.41 0.24 0.00 1.09 0.53 -4.97 121.20 122.20 1uub s ILE 16 Ca -0.02 -0.81 0.10 0.00 -1.10 0.00 0.00 60.65 58.82 1uub s ILE 16 Cb -0.10 -1.18 -0.05 0.00 -1.06 0.00 0.00 42.46 40.07 1uub s ILE 16 CO -0.18 0.36 -0.18 -0.51 -0.10 0.00 0.00 174.94 174.32 1uub s ILE 17 N -0.47 2.18 0.00 2.92 1.10 -1.26 -1.44 121.20 124.23 1uub s ILE 17 Ca 0.07 -2.29 0.00 0.00 -0.51 0.00 0.00 60.65 57.92 1uub s ILE 17 Cb -0.07 -2.17 0.00 0.00 0.15 0.00 0.00 42.46 40.37 1uub s ILE 17 CO -0.00 -0.44 0.00 0.54 -2.11 0.00 0.00 174.94 172.93 1uub n ARG 18 N -0.42 0.00 -3.50 3.50 5.12 -1.26 -4.58 116.66 115.51 1uub n ARG 18 Ca -0.07 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.47 1uub n ARG 18 Cb 0.60 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.83 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1uub s TYR 19 N -1.52 3.61 0.27 -1.55 1.51 0.17 -1.44 117.35 118.39 1uub s TYR 19 Ca 0.00 0.84 0.08 0.00 -1.01 0.00 0.00 57.07 56.98 1uub s TYR 19 Cb 0.00 -2.33 -0.06 0.00 -0.11 0.00 0.00 41.96 39.47 1uub s TYR 19 CO 0.00 0.46 -0.09 -0.59 -1.11 0.00 0.00 175.55 174.22 1uub s PHE 20 N -0.36 1.99 -0.21 2.71 -0.12 -0.38 -1.92 117.98 119.69 1uub s PHE 20 Ca 0.22 -0.62 -0.13 0.00 -0.05 0.00 0.00 56.93 56.35 1uub s PHE 20 Cb -0.15 -1.07 -0.05 0.00 -0.63 0.00 0.00 43.02 41.12 1uub s PHE 20 CO 0.10 0.37 0.27 -0.47 -0.05 0.00 0.00 175.22 175.44 1uub s TYR 21 N -2.91 3.37 -0.32 3.49 5.04 -1.17 0.22 117.35 125.07 1uub s TYR 21 Ca 0.29 0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 55.30 1uub s TYR 21 Cb 0.02 -2.37 0.03 0.00 0.35 0.00 0.00 41.96 39.98 1uub s TYR 21 CO 0.12 0.09 0.08 1.21 -1.34 0.00 0.00 175.55 175.71 1uub s ASN 22 N 0.89 5.18 0.00 4.32 2.47 0.17 -3.40 114.94 124.57 1uub s ASN 22 Ca 0.14 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.45 1uub s ASN 22 Cb -0.14 -1.86 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1uub s ASN 22 CO 0.05 -0.26 0.48 0.00 -3.72 0.00 0.00 177.10 173.65 1uub n ALA 23 N 4.82 2.14 0.57 1.71 0.00 0.18 -1.63 120.51 128.29 1uub n ALA 23 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1uub n ALA 23 Cb 0.46 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.15 1uub n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uub h LYS 24 N 0.35 0.00 0.00 0.00 6.56 -1.89 -3.41 116.57 118.18 1uub h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1uub h LYS 24 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1uub h LYS 24 CO 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.39 1uub n ALA 25 N -1.83 0.00 -0.09 3.86 0.00 -1.21 -4.97 120.51 116.28 1uub n ALA 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1uub n ALA 25 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 1.21 3.77 0.00 0.00 -0.65 -5.08 105.19 104.45 1uub n GLY 26 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1uub n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uub s LEU 27 N 0.00 4.40 -0.29 0.99 0.05 -0.75 -4.82 118.68 118.25 1uub s LEU 27 Ca 0.00 1.01 -0.28 0.00 0.05 0.00 0.00 54.13 54.91 1uub s LEU 27 Cb 0.00 -2.76 0.01 0.00 -2.05 0.00 0.00 46.19 41.39 1uub s LEU 27 CO 0.00 0.15 1.02 0.00 -0.55 0.00 0.00 176.35 176.97 1uub n GLN 29 N 6.62 3.70 -3.80 0.00 6.02 0.60 -4.80 117.38 125.71 1uub n GLN 29 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1uub n GLN 29 Cb 0.47 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.64 1uub n GLN 29 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1uub s THR 30 N 2.72 0.07 0.00 5.09 -4.23 -1.25 -1.25 115.64 116.80 1uub s THR 30 Ca 0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1uub s THR 30 Cb 0.00 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.27 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 1.28 0.00 0.00 3.99 -1.74 -0.52 -4.73 117.46 115.74 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 0.00 0.00 0.00 1.97 0.31 -1.21 -4.34 118.33 115.06 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 -3.13 3.52 4.11 -0.52 -4.63 117.16 116.51 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 -0.02 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 -0.42 3.37 0.00 -7.48 0.00 -0.84 -0.35 105.19 99.47 1uub n GLY 34 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.24 1.29 5.33 -0.02 0.00 -1.26 0.17 105.19 110.94 1uub n GLY 35 Ca 0.23 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.80 -1.41 0.00 0.00 -1.26 -4.71 116.66 110.08 1uub n ARG 37 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1uub n ARG 37 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 32.46 31.30 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 1.07 -0.22 -1.90 2.89 0.00 -1.26 -2.66 120.51 118.43 1uub n ALA 38 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 1uub n ALA 38 Cb 0.40 -1.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.89 -1.96 0.00 0.00 3.00 -1.26 -3.95 118.16 112.10 1uub n LYS 39 Ca -0.14 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1uub n LYS 39 Cb 0.49 -4.70 0.00 0.00 0.00 0.00 0.00 35.03 30.83 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 -0.80 0.00 -4.71 3.14 2.88 -1.09 -4.81 113.62 108.22 1uub n SER 40 Ca -0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 1uub n SER 40 Cb 0.40 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.83 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 6.60 0.00 -3.46 2.47 -1.25 -4.93 114.94 114.37 1uub s ASN 41 Ca 0.00 2.59 0.00 0.00 0.42 0.00 0.00 52.86 55.87 1uub s ASN 41 Cb 0.00 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1uub s ASN 41 CO 0.00 -0.83 0.00 -3.20 -3.72 0.00 0.00 177.10 169.35 1uub n ASN 42 N 4.17 0.00 -3.91 -4.21 2.85 -1.26 -4.82 115.26 108.07 1uub n ASN 42 Ca 0.14 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.42 1uub n ASN 42 Cb 0.39 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.32 1uub n ASN 42 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1uub s PHE 43 N 0.00 1.62 0.00 1.20 -0.12 -0.81 -4.99 117.98 114.89 1uub s PHE 43 Ca 0.00 -1.41 0.00 0.00 -0.05 0.00 0.00 56.93 55.47 1uub s PHE 43 Cb 0.00 -0.85 0.00 0.00 -0.63 0.00 0.00 43.02 41.54 1uub s PHE 43 CO 0.00 -0.56 0.76 1.17 -0.05 0.00 0.00 175.22 176.55 1uub n LYS 44 N -0.60 0.00 -3.90 1.99 4.81 -1.26 0.41 118.16 119.61 1uub n LYS 44 Ca 0.01 -0.75 -0.09 0.00 -0.87 0.00 0.00 58.31 56.62 1uub n LYS 44 Cb 0.65 -0.48 -0.02 0.00 0.02 0.00 0.00 35.03 35.20 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 -0.55 -0.04 0.10 3.14 0.15 -1.26 -4.97 113.70 110.27 1uub s SER 45 Ca 0.00 -0.91 -0.14 0.00 0.70 0.00 0.00 55.95 55.60 1uub s SER 45 Cb 0.00 0.73 -0.09 0.00 -1.71 0.00 0.00 66.02 64.95 1uub s SER 45 CO 0.00 -1.39 1.41 0.00 1.20 0.00 0.00 173.24 174.46 1uub h ALA 46 N 2.07 0.43 -0.15 5.45 0.00 -2.00 0.18 119.26 125.24 1uub h ALA 46 Ca -0.25 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1uub h ALA 46 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1uub h ALA 46 CO 0.32 0.50 -0.19 1.49 0.00 0.00 0.00 179.25 181.37 1uub h GLU 47 N 0.50 0.24 0.31 0.00 4.57 -1.98 0.17 114.58 118.40 1uub h GLU 47 Ca 0.04 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1uub h GLU 47 Cb 0.95 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1uub h GLU 47 CO 0.09 0.43 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.76 1uub h ASP 48 N 0.23 -0.35 -0.64 1.04 3.32 -1.93 -0.62 116.42 117.47 1uub h ASP 48 Ca 0.04 -0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.04 1uub h ASP 48 Cb 0.47 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1uub h ASP 48 CO 0.03 0.08 0.44 0.00 -1.72 0.00 0.00 179.24 178.07 1uub h MET 50 N 0.26 0.48 0.00 0.00 2.86 -0.62 -2.09 114.93 115.82 1uub h MET 50 Ca 0.31 -0.65 -0.09 0.00 -2.06 0.00 0.00 59.70 57.20 1uub h MET 50 Cb 0.84 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1uub h MET 50 CO -0.07 1.28 -0.44 0.07 1.06 0.00 0.00 176.91 178.81 1uub h ARG 51 N -0.01 0.00 0.00 1.72 -0.00 -0.27 0.67 114.38 116.48 1uub h ARG 51 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.81 1uub h ARG 51 Cb 1.71 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.67 1uub h ARG 51 CO 0.19 0.44 -0.08 1.15 -0.00 0.00 0.00 179.97 181.66 1uub h THR 52 N 0.00 1.55 0.00 0.08 2.02 -1.23 -3.39 112.91 111.94 1uub h THR 52 Ca -0.00 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1uub h THR 52 Cb 0.78 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1uub h THR 52 CO 0.06 0.53 -0.99 0.00 0.37 0.00 0.00 175.52 175.48 1uub h GLY 54 N 1.19 0.26 -5.36 0.00 0.00 0.11 -3.39 103.07 95.88 1uub h GLY 54 Ca 0.00 -0.66 -0.60 0.00 0.00 0.00 0.00 47.33 46.07 1uub h GLY 54 CO 0.00 0.58 -0.55 0.61 0.00 0.00 0.00 176.54 177.18 1uub n GLY 55 N 1.66 5.63 0.20 4.60 0.00 0.94 -5.00 105.19 113.23 1uub n GLY 55 Ca -0.15 -2.78 0.03 0.00 0.00 0.00 0.00 46.02 43.12 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32