#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 -1.20 0.00 1.24 -1.74 -1.25 -4.34 117.46 110.16 1uub n PHE 2 Ca 0.00 0.19 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 1uub n PHE 2 Cb 0.00 -0.96 0.00 0.00 1.52 0.00 0.00 39.48 40.04 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 -0.58 0.00 -4.86 0.00 -0.00 -0.44 -3.02 117.00 108.11 1uub n LEU 4 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1uub n LEU 4 Cb 0.00 0.13 0.07 0.00 -0.00 0.00 0.00 43.42 43.63 1uub n LEU 4 CO 0.00 -0.14 0.74 -1.61 -0.00 0.00 0.00 177.39 176.38 1uub s GLU 5 N -1.28 2.37 -0.56 1.47 2.02 -1.26 -4.42 118.70 117.04 1uub s GLU 5 Ca 0.00 0.45 -0.31 0.00 0.02 0.00 0.00 54.97 55.12 1uub s GLU 5 Cb 0.00 -1.97 -0.13 0.00 0.10 0.00 0.00 34.13 32.13 1uub s GLU 5 CO 0.00 -1.38 2.39 -2.30 0.02 0.00 0.00 175.26 173.99 1uub n PRO 6 N -3.23 0.78 -1.19 0.39 -0.02 -1.26 -1.36 135.00 129.10 1uub n PRO 6 Ca 0.07 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 1uub n PRO 6 Cb 0.58 -2.50 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 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 8.52 0.28 -3.11 0.52 -0.04 -1.26 -4.01 135.00 135.90 1uub n PRO 7 Ca 0.46 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 1uub n PRO 7 Cb 0.27 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 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 -2.00 3.25 -0.45 0.54 1.51 -1.26 -4.96 117.35 113.98 1uub s TYR 8 Ca 0.71 0.72 0.07 0.00 -1.01 0.00 0.00 57.07 57.55 1uub s TYR 8 Cb -0.31 -2.92 0.22 0.00 -0.11 0.00 0.00 41.96 38.84 1uub s TYR 8 CO 0.53 -0.40 0.50 2.41 -1.11 0.00 0.00 175.55 177.48 1uub n THR 9 N 5.29 -0.30 0.00 -0.71 -1.04 -1.26 -4.35 114.28 111.91 1uub n THR 9 Ca -0.01 -4.07 0.00 0.00 -2.04 0.00 0.00 64.05 57.94 1uub n THR 9 Cb 0.49 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1uub n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uub n GLY 10 N 1.74 0.02 0.09 3.41 0.00 -1.22 -4.60 105.19 104.63 1uub n GLY 10 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1uub n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uub h PRO 11 N 0.00 0.12 0.00 1.61 0.14 -1.74 -3.44 132.00 128.70 1uub h PRO 11 Ca 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 66.00 65.91 1uub h PRO 11 Cb 0.00 0.08 -0.00 0.00 0.14 0.00 0.00 31.00 31.22 1uub h PRO 11 CO 0.00 0.91 -0.74 0.00 0.14 0.00 0.00 178.00 178.31 1uub n ARG 13 N -3.25 1.79 0.00 0.00 0.63 0.26 -4.87 116.66 111.22 1uub n ARG 13 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1uub n ARG 13 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 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 -3.00 0.00 -3.58 5.13 0.00 -1.25 -4.52 120.51 113.28 1uub n ALA 14 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1uub n ALA 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.05 -1.69 0.08 0.00 0.00 -1.26 -3.80 121.76 112.04 1uub s ALA 15 Ca 0.00 1.90 0.07 0.00 0.00 0.00 0.00 51.96 53.93 1uub s ALA 15 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1uub s ALA 15 CO 0.00 -0.93 -0.18 0.42 0.00 0.00 0.00 175.76 175.07 1uub s ILE 16 N 2.77 1.49 0.24 0.00 1.09 0.60 -4.97 121.20 122.43 1uub s ILE 16 Ca -0.01 -1.38 0.11 0.00 -1.10 0.00 0.00 60.65 58.27 1uub s ILE 16 Cb -0.13 -1.36 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 1uub s ILE 16 CO -0.17 -0.05 -0.19 -0.51 -0.10 0.00 0.00 174.94 173.92 1uub s ILE 17 N -1.10 2.24 0.00 2.92 1.10 -1.26 -2.07 121.20 123.03 1uub s ILE 17 Ca 0.04 -2.26 0.00 0.00 -0.51 0.00 0.00 60.65 57.92 1uub s ILE 17 Cb -0.10 -2.17 0.00 0.00 0.15 0.00 0.00 42.46 40.34 1uub s ILE 17 CO 0.03 -0.39 0.00 0.54 -2.11 0.00 0.00 174.94 173.01 1uub n ARG 18 N -0.35 0.00 -3.73 3.50 1.74 -1.26 -4.54 116.66 112.02 1uub n ARG 18 Ca -0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 1uub n ARG 18 Cb 0.59 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.95 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 -0.82 3.43 0.43 -1.55 1.51 -0.36 -1.68 117.35 118.30 1uub s TYR 19 Ca 0.00 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1uub s TYR 19 Cb 0.00 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1uub s TYR 19 CO 0.00 0.32 0.02 -0.59 -1.11 0.00 0.00 175.55 174.19 1uub s PHE 20 N 0.27 2.22 -0.20 2.71 -0.12 -0.40 -1.34 117.98 121.11 1uub s PHE 20 Ca 0.09 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1uub s PHE 20 Cb -0.11 -1.63 0.01 0.00 -0.63 0.00 0.00 43.02 40.66 1uub s PHE 20 CO -0.01 0.29 -0.13 -0.47 -0.05 0.00 0.00 175.22 174.84 1uub s TYR 21 N -2.86 2.89 -0.62 3.49 6.14 -1.26 0.10 117.35 125.23 1uub s TYR 21 Ca 0.26 -1.43 0.04 0.00 0.64 0.00 0.00 57.07 56.59 1uub s TYR 21 Cb 0.07 -2.00 0.35 0.00 0.42 0.00 0.00 41.96 40.81 1uub s TYR 21 CO 0.13 -0.72 1.12 -1.71 0.64 0.00 0.00 175.55 175.02 1uub n ASN 22 N 4.68 4.99 -1.12 4.32 5.15 0.20 -1.32 115.26 132.16 1uub n ASN 22 Ca -0.19 -3.70 0.00 0.00 -0.60 0.00 0.00 54.58 50.09 1uub n ASN 22 Cb 0.50 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 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 -0.28 1.31 0.00 5.20 0.00 -1.17 -0.40 120.51 125.17 1uub n ALA 23 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1uub n ALA 23 Cb 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.98 0.00 0.00 0.00 4.01 -1.26 -4.82 118.16 117.07 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 -0.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 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 -2.56 0.00 -0.62 7.82 0.00 -0.85 -4.85 120.51 119.44 1uub n ALA 25 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1uub n ALA 25 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 1.89 -0.58 7.00 0.00 0.00 -1.23 -5.12 105.19 107.15 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 -0.16 0.00 -4.51 0.99 4.32 0.47 -4.89 117.00 113.23 1uub n LEU 27 Ca 0.00 0.00 -0.64 0.00 -0.02 0.00 0.00 56.01 55.35 1uub n LEU 27 Cb 0.36 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.05 1uub n LEU 27 CO 0.00 0.00 1.37 0.00 -1.22 0.00 0.00 177.39 177.54 1uub n GLN 29 N 5.33 2.60 -3.85 0.00 0.00 0.28 -4.76 117.38 116.99 1uub n GLN 29 Ca 0.40 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 57.29 1uub n GLN 29 Cb -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.10 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 1.86 0.08 0.00 1.69 -4.23 -1.26 -1.28 115.64 112.51 1uub s THR 30 Ca 0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 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 -0.38 0.00 2.22 -0.54 0.00 0.00 174.62 175.92 1uub n PHE 31 N 1.25 0.00 0.00 3.99 -1.74 -0.68 -4.68 117.46 115.60 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 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 -4.27 118.33 117.93 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 -2.72 1.45 4.11 -0.88 -4.62 117.16 114.50 1uub n TYR 33 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1uub n TYR 33 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 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 -0.50 1.71 0.00 -7.48 0.00 -1.26 -0.29 105.19 97.37 1uub n GLY 34 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.07 2.37 5.73 -0.02 0.00 -1.26 0.91 105.19 112.85 1uub n GLY 35 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.83 -2.23 0.00 -4.01 -1.26 -4.67 116.66 105.33 1uub n ARG 37 Ca 0.00 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.65 1uub n ARG 37 Cb 0.00 -1.09 -0.02 0.00 -3.04 0.00 0.00 32.46 28.31 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1uub n ALA 38 N 1.45 -0.61 -3.53 2.89 0.00 -1.26 -2.51 120.51 116.94 1uub n ALA 38 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1uub n ALA 38 Cb 0.41 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.73 -2.28 -0.40 0.00 3.00 -1.26 -1.99 118.16 112.49 1uub n LYS 39 Ca -0.19 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1uub n LYS 39 Cb 0.62 -4.80 0.00 0.00 0.00 0.00 0.00 35.03 30.85 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 -2.11 -0.12 -4.57 3.14 2.88 -1.04 -4.92 113.62 106.87 1uub n SER 40 Ca 0.04 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 1uub n SER 40 Cb 0.50 -1.99 -0.10 0.00 -0.75 0.00 0.00 64.21 61.87 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 -1.57 4.34 0.00 -3.46 2.47 -0.84 -5.08 114.94 110.80 1uub s ASN 41 Ca 0.00 -0.42 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1uub s ASN 41 Cb 0.00 -0.80 0.00 0.00 -1.45 0.00 0.00 41.25 39.00 1uub s ASN 41 CO 0.00 0.17 0.00 -3.20 -3.72 0.00 0.00 177.10 170.35 1uub n ASN 42 N 0.62 0.00 -4.80 -4.21 2.85 -1.26 -4.85 115.26 103.61 1uub n ASN 42 Ca -0.13 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.11 1uub n ASN 42 Cb 0.53 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.49 1uub n ASN 42 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1uub s PHE 43 N 0.00 2.65 0.00 1.20 0.08 -0.45 -4.97 117.98 116.49 1uub s PHE 43 Ca 0.00 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.51 1uub s PHE 43 Cb 0.00 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1uub s PHE 43 CO 0.00 0.05 0.08 1.17 -0.10 0.00 0.00 175.22 176.42 1uub n LYS 44 N -1.38 0.00 -1.67 0.44 4.81 -1.26 -1.23 118.16 117.88 1uub n LYS 44 Ca 0.01 -0.08 -0.02 0.00 -0.87 0.00 0.00 58.31 57.35 1uub n LYS 44 Cb 0.63 -0.32 0.01 0.00 0.02 0.00 0.00 35.03 35.37 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 0.00 -0.49 -0.01 3.14 7.64 -1.26 -4.97 113.62 117.67 1uub n SER 45 Ca 0.00 -1.33 -0.13 0.00 1.01 0.00 0.00 58.87 58.42 1uub n SER 45 Cb 0.31 0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 64.32 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 0.49 -0.10 -0.43 0.00 -2.01 -1.15 119.26 118.07 1uub h ALA 46 Ca -0.07 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1uub h ALA 46 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uub h ALA 46 CO 0.09 0.70 -0.49 1.05 0.00 0.00 0.00 179.25 180.60 1uub h GLU 47 N 0.49 0.25 0.30 0.00 4.11 -1.98 -0.84 114.58 116.91 1uub h GLU 47 Ca -0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1uub h GLU 47 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1uub h GLU 47 CO 0.13 0.69 -0.14 -0.44 0.07 0.00 0.00 179.01 179.32 1uub h ASP 48 N 0.20 -0.34 -0.53 3.06 3.32 -1.93 -0.89 116.42 119.30 1uub h ASP 48 Ca 0.01 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.91 1uub h ASP 48 Cb 0.94 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1uub h ASP 48 CO 0.08 0.06 0.27 0.00 -1.72 0.00 0.00 179.24 177.93 1uub h MET 50 N 0.52 0.58 -0.70 0.00 2.86 -1.21 -1.91 114.93 115.07 1uub h MET 50 Ca 0.24 -0.51 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1uub h MET 50 Cb 0.15 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1uub h MET 50 CO -0.17 1.14 0.46 0.07 1.06 0.00 0.00 176.91 179.47 1uub h ARG 51 N 0.20 0.62 0.00 1.72 0.11 -1.11 0.58 114.38 116.50 1uub h ARG 51 Ca -0.06 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 59.85 1uub h ARG 51 Cb 1.29 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 1uub h ARG 51 CO 0.13 0.41 -0.89 1.15 0.10 0.00 0.00 179.97 180.87 1uub h THR 52 N 0.64 0.61 0.00 0.08 2.02 -1.60 -3.42 112.91 111.26 1uub h THR 52 Ca 0.31 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1uub h THR 52 Cb 0.39 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1uub h THR 52 CO -0.11 0.21 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1uub h GLY 54 N 0.00 0.56 0.00 0.00 0.00 0.37 -3.48 103.07 100.52 1uub h GLY 54 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1uub h GLY 54 CO 0.00 0.81 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1uub n GLY 55 N 0.96 0.75 0.00 4.60 0.00 0.11 -4.99 105.19 106.62 1uub n GLY 55 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32