#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 -0.05 2.11 3.01 -1.26 -4.58 117.46 116.69 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 0.00 -1.36 -4.52 0.00 -0.00 -1.22 0.63 117.00 110.53 1uub n LEU 4 Ca 0.00 0.43 -0.34 0.00 -0.00 0.00 0.00 56.01 56.10 1uub n LEU 4 Cb 0.00 1.43 0.10 0.00 -0.00 0.00 0.00 43.42 44.95 1uub n LEU 4 CO 0.00 -0.34 0.24 -0.62 -0.00 0.00 0.00 177.39 176.67 1uub n GLU 5 N -3.09 0.08 -1.52 1.47 1.02 -1.26 -4.54 120.64 112.80 1uub n GLU 5 Ca 0.00 0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 1uub n GLU 5 Cb 0.00 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.30 1uub n GLU 5 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1uub n PRO 6 N -1.85 0.63 -1.79 3.49 -0.02 -1.26 0.08 135.00 134.29 1uub n PRO 6 Ca 0.10 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1uub n PRO 6 Cb 0.51 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1uub n PRO 6 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1uub s PRO 7 N 8.32 4.12 0.09 0.52 0.02 -1.26 -4.46 135.00 142.35 1uub s PRO 7 Ca 1.14 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 64.43 1uub s PRO 7 Cb -0.68 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 30.77 1uub s PRO 7 CO 0.38 -0.60 1.22 0.71 -0.33 0.00 0.00 177.00 178.38 1uub s TYR 8 N -0.34 3.41 0.00 6.54 1.51 -1.26 -4.92 117.35 122.29 1uub s TYR 8 Ca 0.60 1.27 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1uub s TYR 8 Cb -0.47 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 37.92 1uub s TYR 8 CO 0.53 -1.41 0.00 0.25 -1.11 0.00 0.00 175.55 173.81 1uub n THR 9 N 3.72 0.00 -2.71 -0.71 -2.24 -1.26 -3.85 114.28 107.22 1uub n THR 9 Ca 0.09 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1uub n THR 9 Cb 0.46 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.70 2.83 0.10 3.38 0.00 -1.25 -2.44 105.19 110.52 1uub n GLY 10 Ca 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.41 1uub n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uub n PRO 11 N -0.10 0.61 0.00 1.61 -0.05 -1.22 -4.75 135.00 131.11 1uub n PRO 11 Ca 0.18 0.14 0.00 0.00 -0.05 0.00 0.00 63.50 63.77 1uub n PRO 11 Cb 0.75 -1.81 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 1uub n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uub n ARG 13 N -2.61 0.00 0.00 0.00 0.00 0.15 -4.78 116.66 109.42 1uub n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1uub n ARG 13 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.71 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uub n ALA 14 N -3.00 2.61 -3.15 5.13 0.00 -1.26 -4.91 120.51 115.93 1uub n ALA 14 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1uub n ALA 14 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.00 -4.26 -0.08 0.00 0.00 -1.23 -3.74 121.76 110.45 1uub s ALA 15 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1uub s ALA 15 Cb 0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1uub s ALA 15 CO 0.00 -2.12 -0.17 0.42 0.00 0.00 0.00 175.76 173.89 1uub s ILE 16 N 2.97 2.78 0.18 0.00 1.09 -0.26 -5.04 121.20 122.93 1uub s ILE 16 Ca 0.30 -0.80 0.08 0.00 -1.10 0.00 0.00 60.65 59.13 1uub s ILE 16 Cb -0.01 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 1uub s ILE 16 CO -0.22 0.57 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.38 1uub s ILE 17 N -0.25 1.82 0.00 2.92 -1.09 -1.26 -1.48 121.20 121.86 1uub s ILE 17 Ca 0.01 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 1uub s ILE 17 Cb -0.13 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1uub s ILE 17 CO 0.03 -0.41 0.00 -1.14 -1.23 0.00 0.00 174.94 172.18 1uub n ARG 18 N 0.03 0.00 -3.65 2.79 3.00 -1.26 -4.58 116.66 112.98 1uub n ARG 18 Ca -0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.38 1uub n ARG 18 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.97 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 -0.09 3.48 0.26 -0.14 1.51 0.59 -2.02 117.35 120.95 1uub s TYR 19 Ca 0.00 0.52 0.10 0.00 -1.01 0.00 0.00 57.07 56.68 1uub s TYR 19 Cb 0.00 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 1uub s TYR 19 CO 0.00 0.36 -0.16 -0.59 -1.11 0.00 0.00 175.55 174.05 1uub s PHE 20 N 0.10 2.10 -0.17 2.71 -0.12 -0.48 -1.55 117.98 120.57 1uub s PHE 20 Ca 0.14 -0.45 -0.17 0.00 -0.05 0.00 0.00 56.93 56.39 1uub s PHE 20 Cb -0.12 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.24 1uub s PHE 20 CO 0.03 0.56 0.46 -0.47 -0.05 0.00 0.00 175.22 175.74 1uub s TYR 21 N -2.70 3.42 -0.27 3.49 5.04 -1.23 0.22 117.35 125.32 1uub s TYR 21 Ca 0.28 0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 55.63 1uub s TYR 21 Cb -0.02 -2.57 0.02 0.00 0.35 0.00 0.00 41.96 39.73 1uub s TYR 21 CO 0.12 0.03 0.01 1.21 -1.34 0.00 0.00 175.55 175.59 1uub s ASN 22 N 0.91 4.71 0.00 4.32 2.47 0.20 -3.46 114.94 124.09 1uub s ASN 22 Ca 0.23 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.75 1uub s ASN 22 Cb -0.15 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1uub s ASN 22 CO 0.09 -0.15 0.38 0.00 -3.72 0.00 0.00 177.10 173.70 1uub n ALA 23 N 4.77 2.03 0.04 1.71 0.00 0.21 -1.41 120.51 127.86 1uub n ALA 23 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1uub n ALA 23 Cb 0.48 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 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 0.37 0.02 0.00 0.00 6.56 -1.89 -3.40 116.57 118.22 1uub h LYS 24 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1uub h LYS 24 Cb 0.38 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1uub h LYS 24 CO 0.00 0.86 0.00 0.00 -2.06 0.00 0.00 179.45 178.25 1uub n ALA 25 N -2.43 0.93 -1.51 3.86 0.00 -1.21 -4.96 120.51 115.20 1uub n ALA 25 Ca -0.06 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1uub n ALA 25 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.40 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 0.76 3.79 0.00 0.00 -0.50 -4.99 105.19 104.25 1uub n GLY 26 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.14 4.48 -0.33 0.99 0.05 -0.69 -4.78 118.68 116.27 1uub s LEU 27 Ca 0.00 1.23 -0.27 0.00 0.05 0.00 0.00 54.13 55.14 1uub s LEU 27 Cb 0.00 -2.93 0.01 0.00 -2.05 0.00 0.00 46.19 41.22 1uub s LEU 27 CO 0.00 0.19 0.97 0.00 -0.55 0.00 0.00 176.35 176.96 1uub n GLN 29 N 6.68 3.59 -3.90 0.00 6.02 0.60 -4.77 117.38 125.61 1uub n GLN 29 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1uub n GLN 29 Cb 0.47 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.63 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 2.39 0.08 0.00 5.09 -4.23 -1.24 -1.38 115.64 116.35 1uub s THR 30 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1uub s THR 30 Cb 0.00 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1uub s THR 30 CO 0.00 -0.35 0.00 2.22 -0.54 0.00 0.00 174.62 175.95 1uub n PHE 31 N 1.76 0.00 0.00 3.99 -1.74 -0.86 -4.72 117.46 115.89 1uub n PHE 31 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 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 -1.20 -4.26 118.33 115.15 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 -3.10 3.52 4.11 -0.55 -4.57 117.16 116.57 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 0.41 -0.00 0.00 0.00 176.86 177.27 1uub n GLY 34 N -0.25 1.03 0.21 -7.48 0.00 -1.02 -1.10 105.19 96.58 1uub n GLY 34 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 2.68 -2.04 7.00 -0.02 0.00 -1.26 0.49 105.19 112.04 1uub n GLY 35 Ca 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.04 1.45 -2.00 0.00 3.00 -1.26 -4.73 116.66 113.08 1uub n ARG 37 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 57.85 57.28 1uub n ARG 37 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 32.46 30.86 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 2.16 -0.64 -2.06 5.13 0.00 -1.26 -2.11 120.51 121.73 1uub n ALA 38 Ca 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 1uub n ALA 38 Cb 0.68 -0.61 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.08 -2.29 0.00 0.00 0.00 -1.26 -3.88 118.16 108.65 1uub n LYS 39 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1uub n LYS 39 Cb 0.37 -4.53 0.00 0.00 0.00 0.00 0.00 35.03 30.87 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 -4.74 3.14 2.88 -0.90 -4.84 113.62 108.27 1uub n SER 40 Ca -0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 1uub n SER 40 Cb 0.40 0.00 -0.02 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 6.54 0.00 -3.46 2.47 -1.25 -4.94 114.94 114.30 1uub s ASN 41 Ca 0.00 2.74 0.00 0.00 0.42 0.00 0.00 52.86 56.02 1uub s ASN 41 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1uub s ASN 41 CO 0.00 -0.80 0.00 -3.20 -3.72 0.00 0.00 177.10 169.38 1uub n ASN 42 N 2.77 0.00 -4.32 -4.21 2.85 -1.26 -4.81 115.26 106.27 1uub n ASN 42 Ca 0.09 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.40 1uub n ASN 42 Cb 0.39 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.30 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 1.53 -0.00 1.20 -0.71 -0.59 -5.00 117.98 114.40 1uub s PHE 43 Ca 0.00 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 54.95 1uub s PHE 43 Cb 0.00 -0.89 0.01 0.00 -1.21 0.00 0.00 43.02 40.93 1uub s PHE 43 CO 0.00 -0.07 0.66 1.17 -1.34 0.00 0.00 175.22 175.64 1uub n LYS 44 N -0.40 0.67 -2.52 1.99 4.81 -1.26 -0.30 118.16 121.15 1uub n LYS 44 Ca -0.05 -0.80 -0.03 0.00 -0.87 0.00 0.00 58.31 56.56 1uub n LYS 44 Cb 0.64 -0.63 0.01 0.00 0.02 0.00 0.00 35.03 35.07 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1uub n SER 45 N -0.14 -1.06 -0.10 3.14 7.64 -1.26 -4.96 113.62 116.88 1uub n SER 45 Ca 0.00 -1.67 -0.14 0.00 1.01 0.00 0.00 58.87 58.08 1uub n SER 45 Cb 0.47 1.75 -0.03 0.00 -1.01 0.00 0.00 64.21 65.38 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 0.50 -0.06 -0.43 0.00 -2.00 -0.15 119.26 119.12 1uub h ALA 46 Ca -0.16 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 1uub h ALA 46 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1uub h ALA 46 CO 0.20 0.60 -0.66 1.49 0.00 0.00 0.00 179.25 180.88 1uub h GLU 47 N 0.64 0.26 -0.10 0.00 4.81 -1.98 -0.19 114.58 118.03 1uub h GLU 47 Ca 0.05 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1uub h GLU 47 Cb 0.98 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1uub h GLU 47 CO 0.09 0.83 0.01 -0.44 -0.73 0.00 0.00 179.01 178.77 1uub h ASP 48 N 0.19 0.17 -0.34 1.04 3.32 -1.93 -1.01 116.42 117.85 1uub h ASP 48 Ca -0.01 -0.29 -0.15 0.00 0.02 0.00 0.00 57.03 56.59 1uub h ASP 48 Cb 1.20 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1uub h ASP 48 CO 0.10 0.41 -0.39 0.00 -1.72 0.00 0.00 179.24 177.64 1uub h MET 50 N 0.65 0.57 -0.76 0.00 2.86 -1.05 -2.25 114.93 114.95 1uub h MET 50 Ca 0.05 -0.40 0.11 0.00 -2.06 0.00 0.00 59.70 57.40 1uub h MET 50 Cb 0.99 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1uub h MET 50 CO 0.09 1.02 0.50 0.07 1.06 0.00 0.00 176.91 179.65 1uub h ARG 51 N 0.21 0.59 0.00 1.72 0.11 -1.27 0.49 114.38 116.23 1uub h ARG 51 Ca -0.01 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 1uub h ARG 51 Cb 1.04 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.99 1uub h ARG 51 CO 0.09 0.39 -0.18 1.15 0.10 0.00 0.00 179.97 181.53 1uub h THR 52 N 0.61 0.78 0.00 0.08 2.02 -1.57 -3.43 112.91 111.40 1uub h THR 52 Ca 0.36 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1uub h THR 52 Cb 0.56 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1uub h THR 52 CO -0.13 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1uub h GLY 54 N 0.00 0.02 -5.36 0.00 0.00 0.14 -3.43 103.07 94.43 1uub h GLY 54 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 47.33 46.95 1uub h GLY 54 CO 0.00 0.03 -0.71 0.61 0.00 0.00 0.00 176.54 176.47 1uub n GLY 55 N 1.04 1.09 0.00 4.60 0.00 0.11 -4.97 105.19 107.07 1uub n GLY 55 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32