#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 -4.51 117.46 115.94 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 -0.09 -0.77 -4.50 0.00 -0.00 -1.11 -0.32 117.00 110.21 1uub n LEU 4 Ca 0.00 0.24 -0.32 0.00 -0.00 0.00 0.00 56.01 55.93 1uub n LEU 4 Cb 0.00 0.92 0.15 0.00 -0.00 0.00 0.00 43.42 44.50 1uub n LEU 4 CO 0.00 -0.41 0.19 -0.62 -0.00 0.00 0.00 177.39 176.55 1uub n GLU 5 N -2.83 -0.64 -1.56 1.47 1.02 -1.26 -4.53 120.64 112.31 1uub n GLU 5 Ca 0.00 -0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 1uub n GLU 5 Cb 0.00 -2.05 -0.04 0.00 -0.02 0.00 0.00 31.44 29.33 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 -2.88 1.47 -1.75 3.49 -0.02 -1.26 -0.21 135.00 133.83 1uub n PRO 6 Ca 0.08 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1uub n PRO 6 Cb 0.54 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uub n PRO 7 N 8.81 2.46 -2.53 0.52 -0.02 -1.26 -4.46 135.00 138.52 1uub n PRO 7 Ca 0.35 0.86 -0.43 0.00 -2.02 0.00 0.00 63.50 62.26 1uub n PRO 7 Cb 0.46 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1uub n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1uub s TYR 8 N -1.13 2.64 -0.44 6.00 1.51 -1.26 -4.89 117.35 119.79 1uub s TYR 8 Ca 0.55 0.62 0.22 0.00 -1.01 0.00 0.00 57.07 57.45 1uub s TYR 8 Cb -0.50 -4.43 -0.14 0.00 -0.11 0.00 0.00 41.96 36.78 1uub s TYR 8 CO 0.63 -1.54 0.81 0.25 -1.11 0.00 0.00 175.55 174.59 1uub n THR 9 N 6.87 0.12 -2.70 -0.71 -2.24 -1.26 -3.84 114.28 110.52 1uub n THR 9 Ca 0.12 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.52 1uub n THR 9 Cb 0.49 0.22 0.09 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.34 -0.54 0.14 3.38 0.00 -1.26 -2.37 105.19 105.87 1uub n GLY 10 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 2.84 0.39 0.00 1.61 0.11 -1.63 -3.43 132.00 131.89 1uub h PRO 11 Ca -0.20 -0.55 -0.01 0.00 0.11 0.00 0.00 66.00 65.35 1uub h PRO 11 Cb 1.15 0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1uub h PRO 11 CO 0.06 1.22 -0.36 0.00 -0.21 0.00 0.00 178.00 178.72 1uub n ARG 13 N -3.76 1.86 0.00 0.00 1.74 0.43 -4.85 116.66 112.08 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 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 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 -3.27 7.54 0.00 -1.26 -4.67 120.51 115.85 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 -4.03 -3.05 0.07 0.00 0.00 -1.25 -4.20 121.76 109.30 1uub s ALA 15 Ca 0.00 1.80 0.08 0.00 0.00 0.00 0.00 51.96 53.84 1uub s ALA 15 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1uub s ALA 15 CO 0.00 -1.12 -0.21 0.42 0.00 0.00 0.00 175.76 174.85 1uub s ILE 16 N 2.53 1.69 0.25 0.00 1.09 0.52 -4.97 121.20 122.31 1uub s ILE 16 Ca -0.01 -1.36 0.10 0.00 -1.10 0.00 0.00 60.65 58.28 1uub s ILE 16 Cb -0.06 -1.50 -0.05 0.00 -1.06 0.00 0.00 42.46 39.79 1uub s ILE 16 CO -0.15 0.08 -0.18 -0.51 -0.10 0.00 0.00 174.94 174.08 1uub s ILE 17 N -0.97 2.20 -0.10 2.92 1.10 -1.26 -2.00 121.20 123.09 1uub s ILE 17 Ca 0.07 -2.33 0.00 0.00 -0.51 0.00 0.00 60.65 57.87 1uub s ILE 17 Cb -0.09 -2.21 0.00 0.00 0.15 0.00 0.00 42.46 40.31 1uub s ILE 17 CO 0.03 -0.47 0.00 0.54 -2.11 0.00 0.00 174.94 172.93 1uub n ARG 18 N -0.53 0.00 -3.97 3.50 1.74 -1.26 -4.55 116.66 111.58 1uub n ARG 18 Ca -0.06 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.65 1uub n ARG 18 Cb 0.60 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.97 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 -3.79 3.51 0.45 -1.55 1.51 -0.16 -1.37 117.35 115.96 1uub s TYR 19 Ca 0.00 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1uub s TYR 19 Cb 0.00 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1uub s TYR 19 CO 0.00 0.68 0.08 1.97 -1.11 0.00 0.00 175.55 177.18 1uub n PHE 20 N 2.02 0.59 -3.91 2.71 1.16 -0.54 -1.18 117.46 118.32 1uub n PHE 20 Ca -0.20 -2.58 -0.35 0.00 -1.87 0.00 0.00 57.45 52.45 1uub n PHE 20 Cb 0.55 -0.15 -0.14 0.00 -1.61 0.00 0.00 39.48 38.13 1uub n PHE 20 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 1uub s TYR 21 N -2.98 3.22 -0.84 2.97 5.04 -1.22 0.10 117.35 123.65 1uub s TYR 21 Ca 0.12 -1.77 0.01 0.00 -2.44 0.00 0.00 57.07 52.99 1uub s TYR 21 Cb 0.01 -2.11 0.33 0.00 0.35 0.00 0.00 41.96 40.54 1uub s TYR 21 CO 0.08 -0.78 1.50 -1.71 -1.34 0.00 0.00 175.55 173.30 1uub n ASN 22 N 4.65 6.26 -0.38 4.32 5.15 0.16 -2.76 115.26 132.64 1uub n ASN 22 Ca -0.14 -3.70 0.00 0.00 -0.60 0.00 0.00 54.58 50.14 1uub n ASN 22 Cb 0.44 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 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 -0.17 0.43 0.00 5.20 0.00 0.57 -0.23 120.51 126.30 1uub n ALA 23 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1uub n ALA 23 Cb 0.32 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1uub n ALA 23 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1uub n LYS 24 N 0.10 0.00 -0.03 0.00 2.85 -1.26 -4.78 118.16 115.04 1uub n LYS 24 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uub n LYS 24 Cb 0.00 -0.63 -0.00 0.00 -0.65 0.00 0.00 35.03 33.74 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1uub h ALA 25 N 0.00 0.00 0.00 0.58 0.00 -1.87 -3.44 119.26 114.53 1uub h ALA 25 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uub h ALA 25 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1uub h ALA 25 CO 0.00 0.05 -0.09 0.41 0.00 0.00 0.00 179.25 179.62 1uub n GLY 26 N 1.84 -0.70 7.00 0.00 0.00 -1.23 -5.13 105.19 106.96 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 0.00 0.00 -2.76 0.99 4.32 0.68 -4.89 117.00 115.34 1uub n LEU 27 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.60 1uub n LEU 27 Cb 0.54 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1uub n LEU 27 CO 0.00 0.00 0.80 0.00 -1.22 0.00 0.00 177.39 176.97 1uub n GLN 29 N 3.04 2.09 -3.75 0.00 0.00 0.28 -4.72 117.38 114.33 1uub n GLN 29 Ca 0.23 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 57.10 1uub n GLN 29 Cb -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.12 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 2.27 0.06 0.00 1.69 -4.23 -1.25 -1.47 115.64 112.71 1uub s THR 30 Ca 0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1uub s THR 30 Cb 0.00 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1uub s THR 30 CO 0.00 -0.25 0.00 2.22 -0.54 0.00 0.00 174.62 176.05 1uub n PHE 31 N 1.21 0.00 0.00 3.99 -1.74 -0.47 -4.72 117.46 115.73 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 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 -1.24 -4.28 118.33 117.92 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 -2.95 1.45 4.11 -0.85 -4.62 117.16 114.30 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 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 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 -0.32 2.94 0.00 -7.48 0.00 -1.00 -0.35 105.19 98.98 1uub n GLY 34 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.10 1.69 5.27 -0.02 0.00 -1.26 0.16 105.19 111.13 1uub n GLY 35 Ca 0.19 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.91 -1.22 0.00 1.85 -1.26 -4.68 116.66 112.26 1uub n ARG 37 Ca 0.00 -0.14 -0.10 0.00 -1.00 0.00 0.00 57.85 56.62 1uub n ARG 37 Cb 0.00 -1.25 -0.04 0.00 -1.05 0.00 0.00 32.46 30.12 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uub n ALA 38 N 1.79 -0.14 -2.42 2.89 0.00 -1.26 -2.48 120.51 118.88 1uub n ALA 38 Ca 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1uub n ALA 38 Cb 0.44 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.46 -2.65 0.00 0.00 3.00 -1.26 -3.93 118.16 111.85 1uub n LYS 39 Ca -0.10 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1uub n LYS 39 Cb 0.34 -4.74 0.00 0.00 0.00 0.00 0.00 35.03 30.63 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 -1.53 0.00 -4.69 3.14 2.88 -1.04 -4.78 113.62 107.60 1uub n SER 40 Ca -0.05 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 1uub n SER 40 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 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 6.41 -0.37 -3.46 3.84 -1.25 -4.90 114.94 115.21 1uub s ASN 41 Ca 0.00 2.77 -0.04 0.00 0.21 0.00 0.00 52.86 55.80 1uub s ASN 41 Cb 0.00 -2.56 0.20 0.00 -0.55 0.00 0.00 41.25 38.34 1uub s ASN 41 CO 0.00 -1.02 0.98 0.21 -2.79 0.00 0.00 177.10 174.48 1uub s ASN 42 N 2.96 -0.59 0.52 -4.21 3.84 -1.26 -4.75 114.94 111.45 1uub s ASN 42 Ca 0.82 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 53.44 1uub s ASN 42 Cb -0.46 0.76 0.04 0.00 -0.55 0.00 0.00 41.25 41.04 1uub s ASN 42 CO 0.37 -0.04 0.51 -0.36 -2.79 0.00 0.00 177.10 174.79 1uub s PHE 43 N 1.37 1.82 0.00 0.43 0.08 -0.33 -4.93 117.98 116.42 1uub s PHE 43 Ca 0.21 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1uub s PHE 43 Cb 0.06 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1uub s PHE 43 CO -0.11 -0.59 0.00 1.17 -0.10 0.00 0.00 175.22 175.59 1uub n LYS 44 N -1.85 0.00 -0.82 0.44 3.00 -1.26 -0.99 118.16 116.68 1uub n LYS 44 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1uub n LYS 44 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1uub n SER 45 N 0.00 0.00 -0.06 3.14 7.64 -1.26 -4.90 113.62 118.19 1uub n SER 45 Ca 0.00 -0.82 -0.13 0.00 1.01 0.00 0.00 58.87 58.93 1uub n SER 45 Cb 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.53 -0.78 -0.43 0.00 -2.01 -1.99 119.26 116.59 1uub h ALA 46 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1uub h ALA 46 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1uub h ALA 46 CO 0.00 0.68 0.29 1.05 0.00 0.00 0.00 179.25 181.27 1uub h GLU 47 N 0.61 1.18 0.74 0.00 4.11 -1.98 -0.15 114.58 119.08 1uub h GLU 47 Ca 0.01 -0.23 -0.04 0.00 0.07 0.00 0.00 59.36 59.18 1uub h GLU 47 Cb 1.14 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1uub h GLU 47 CO 0.12 0.97 -0.36 -0.44 0.07 0.00 0.00 179.01 179.37 1uub h ASP 48 N 1.14 -0.84 -0.99 3.06 3.32 -1.95 -1.40 116.42 118.76 1uub h ASP 48 Ca 0.26 0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.51 1uub h ASP 48 Cb 0.25 0.22 -0.10 0.00 0.22 0.00 0.00 39.33 39.92 1uub h ASP 48 CO -0.02 -0.48 0.61 0.00 -1.72 0.00 0.00 179.24 177.63 1uub h MET 50 N 0.67 0.12 -0.25 0.00 2.86 -0.98 -0.67 114.93 116.68 1uub h MET 50 Ca 0.55 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 58.13 1uub h MET 50 Cb 0.99 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1uub h MET 50 CO -0.32 0.76 0.17 0.07 1.06 0.00 0.00 176.91 178.65 1uub h ARG 51 N -0.48 0.15 0.00 1.72 -0.00 -0.86 0.40 114.38 115.31 1uub h ARG 51 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.91 1uub h ARG 51 Cb 0.78 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.71 1uub h ARG 51 CO 0.02 0.10 -0.43 1.15 -0.00 0.00 0.00 179.97 180.81 1uub h THR 52 N 0.16 0.70 0.00 0.08 2.02 -1.57 -3.45 112.91 110.84 1uub h THR 52 Ca 0.11 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1uub h THR 52 Cb 0.24 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1uub h THR 52 CO -0.02 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.11 1uub h GLY 54 N 0.00 -0.00 -5.32 0.00 0.00 0.94 -3.41 103.07 95.28 1uub h GLY 54 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1uub h GLY 54 CO 0.00 -0.00 -0.97 0.61 0.00 0.00 0.00 176.54 176.18 1uub n GLY 55 N 1.63 4.08 0.91 4.60 0.00 0.11 -4.94 105.19 111.58 1uub n GLY 55 Ca -0.08 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 43.98 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32