#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 -4.48 117.46 115.97 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 -0.30 -0.32 -4.57 0.00 -0.00 -1.00 -0.30 117.00 110.52 1uub n LEU 4 Ca 0.00 0.09 -0.34 0.00 -0.00 0.00 0.00 56.01 55.77 1uub n LEU 4 Cb 0.01 0.55 0.12 0.00 -0.00 0.00 0.00 43.42 44.09 1uub n LEU 4 CO 0.00 -0.46 0.39 -0.62 -0.00 0.00 0.00 177.39 176.70 1uub n GLU 5 N -2.62 0.04 -1.50 1.47 1.02 -1.26 -4.57 120.64 113.21 1uub n GLU 5 Ca 0.00 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1uub n GLU 5 Cb 0.00 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.20 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 -2.37 0.90 -1.51 3.49 -0.02 -1.26 -0.26 135.00 133.96 1uub n PRO 6 Ca 0.11 0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 1uub n PRO 6 Cb 0.51 -2.67 0.08 0.00 -0.02 0.00 0.00 33.50 31.40 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 8.60 0.76 -0.96 0.52 -0.04 -1.26 -4.46 135.00 138.15 1uub n PRO 7 Ca 0.44 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.92 1uub n PRO 7 Cb 0.32 -2.36 0.26 0.00 -0.04 0.00 0.00 33.50 31.67 1uub n PRO 7 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1uub n TYR 8 N -2.27 -3.89 0.00 0.54 4.11 -1.26 -5.04 117.16 109.35 1uub n TYR 8 Ca 0.14 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 57.07 1uub n TYR 8 Cb 0.49 -1.15 0.00 0.00 -0.00 0.00 0.00 39.34 38.68 1uub n TYR 8 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1uub n THR 9 N -4.96 0.00 0.00 -3.48 -1.04 -1.26 -4.80 114.28 98.73 1uub n THR 9 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1uub n THR 9 Cb 0.59 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.84 1.34 0.00 3.41 0.00 -1.26 -1.78 105.19 107.74 1uub n GLY 10 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1uub n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uub n PRO 11 N 0.00 0.28 -0.12 1.61 -0.02 -1.26 -2.40 135.00 133.09 1uub n PRO 11 Ca 0.00 0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.23 1uub n PRO 11 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.87 1uub n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uub n ARG 13 N -4.15 0.00 -2.53 0.00 1.85 -1.13 -4.86 116.66 105.83 1uub n ARG 13 Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.36 1uub n ARG 13 Cb 0.85 -0.13 -0.02 0.00 -1.05 0.00 0.00 32.46 32.12 1uub n ARG 13 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uub n ALA 14 N -2.15 -2.41 -0.83 2.89 0.00 -1.01 -4.93 120.51 112.06 1uub n ALA 14 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 53.44 54.60 1uub n ALA 14 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1uub n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uub n ALA 15 N 1.93 0.41 -2.89 0.00 0.00 -1.19 -4.89 120.51 113.88 1uub n ALA 15 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 1uub n ALA 15 Cb 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.55 1uub n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1uub s ILE 16 N 0.00 1.93 0.10 0.00 1.01 -0.15 -5.03 121.20 119.07 1uub s ILE 16 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1uub s ILE 16 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1uub s ILE 16 CO 0.00 0.54 -0.09 -0.63 0.00 0.00 0.00 174.94 174.76 1uub s ILE 17 N 0.00 0.86 0.00 2.92 -1.09 -1.26 -0.09 121.20 122.55 1uub s ILE 17 Ca -0.07 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 56.56 1uub s ILE 17 Cb -0.14 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 1uub s ILE 17 CO 0.05 -0.70 0.00 -1.14 -1.23 0.00 0.00 174.94 171.92 1uub n ARG 18 N 0.27 0.00 -3.64 2.79 3.00 -1.26 -4.69 116.66 113.13 1uub n ARG 18 Ca -0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.34 1uub n ARG 18 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.98 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 0.48 3.53 0.43 -0.14 1.51 -0.42 -2.20 117.35 120.54 1uub s TYR 19 Ca 0.00 0.62 0.04 0.00 -1.01 0.00 0.00 57.07 56.71 1uub s TYR 19 Cb 0.00 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1uub s TYR 19 CO 0.00 0.43 0.05 -0.59 -1.11 0.00 0.00 175.55 174.33 1uub s PHE 20 N -0.17 2.00 -0.32 2.71 -0.12 -0.46 -0.63 117.98 120.99 1uub s PHE 20 Ca 0.16 -0.98 -0.07 0.00 -0.05 0.00 0.00 56.93 55.99 1uub s PHE 20 Cb -0.13 -1.47 0.02 0.00 -0.63 0.00 0.00 43.02 40.81 1uub s PHE 20 CO 0.05 0.10 0.11 -0.47 -0.05 0.00 0.00 175.22 174.96 1uub s TYR 21 N -3.00 3.21 -0.76 3.49 5.04 -1.26 0.13 117.35 124.20 1uub s TYR 21 Ca 0.22 -1.14 0.03 0.00 -2.44 0.00 0.00 57.07 53.74 1uub s TYR 21 Cb 0.05 -2.29 0.31 0.00 0.35 0.00 0.00 41.96 40.38 1uub s TYR 21 CO 0.11 -0.64 1.20 -1.71 -1.34 0.00 0.00 175.55 173.17 1uub n ASN 22 N 4.87 5.31 -1.85 4.32 5.15 0.21 -2.36 115.26 130.90 1uub n ASN 22 Ca -0.13 -3.61 0.00 0.00 -0.60 0.00 0.00 54.58 50.23 1uub n ASN 22 Cb 0.46 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 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 0.19 1.22 0.02 5.20 0.00 0.59 -0.52 120.51 127.21 1uub n ALA 23 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1uub n ALA 23 Cb 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.59 0.00 -0.02 0.00 4.01 -1.26 -4.88 118.16 117.60 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 -0.15 -0.00 0.00 -0.51 0.00 0.00 35.03 34.37 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub h ALA 25 N 0.00 0.00 0.00 7.82 0.00 -1.91 -3.45 119.26 121.72 1uub h ALA 25 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uub h ALA 25 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uub h ALA 25 CO 0.00 0.04 -0.13 0.41 0.00 0.00 0.00 179.25 179.57 1uub n GLY 26 N 1.88 -0.74 7.00 0.00 0.00 -1.24 -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 -4.30 0.99 4.32 0.32 -4.87 117.00 113.46 1uub n LEU 27 Ca 0.00 0.00 -0.61 0.00 -0.02 0.00 0.00 56.01 55.38 1uub n LEU 27 Cb 0.55 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.25 1uub n LEU 27 CO 0.00 0.00 1.41 0.00 -1.22 0.00 0.00 177.39 177.58 1uub n GLN 29 N 5.69 2.75 -3.97 0.00 0.00 0.35 -4.78 117.38 117.42 1uub n GLN 29 Ca 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.32 1uub n GLN 29 Cb -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.08 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 3.27 0.14 0.00 1.69 -4.23 -1.24 -1.35 115.64 113.93 1uub s THR 30 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1uub s THR 30 Cb 0.00 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1uub s THR 30 CO 0.00 -0.36 0.00 2.22 -0.54 0.00 0.00 174.62 175.94 1uub n PHE 31 N 1.94 0.00 0.00 3.99 -1.74 -0.94 -4.67 117.46 116.04 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 -0.05 0.00 -2.95 1.97 0.31 -1.24 -4.61 118.33 111.75 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 0.02 0.00 0.00 3.52 4.11 0.88 -4.75 117.16 120.93 1uub n TYR 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1uub n TYR 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 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 -0.02 0.33 2.67 -7.48 0.00 -0.73 -0.98 105.19 98.97 1uub n GLY 34 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 4.26 1.47 0.00 -0.02 0.00 -1.26 -4.66 105.19 104.97 1uub n GLY 35 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.86 -1.52 0.00 1.85 -1.26 -4.85 116.66 112.73 1uub n ARG 37 Ca 0.00 -0.81 -0.10 0.00 -1.00 0.00 0.00 57.85 55.94 1uub n ARG 37 Cb 0.00 -1.61 -0.03 0.00 -1.05 0.00 0.00 32.46 29.77 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 0.14 -0.29 -2.98 2.89 0.00 -1.26 -2.92 120.51 116.09 1uub n ALA 38 Ca 0.09 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 1uub n ALA 38 Cb 0.57 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.87 -1.46 0.00 0.00 3.00 -1.26 -3.45 118.16 113.12 1uub n LYS 39 Ca -0.10 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1uub n LYS 39 Cb 0.37 -3.34 0.00 0.00 0.00 0.00 0.00 35.03 32.06 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 -1.36 0.00 -4.77 3.14 2.88 -1.15 -4.85 113.62 107.51 1uub n SER 40 Ca 0.05 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.18 1uub n SER 40 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 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 6.80 0.00 -3.46 2.47 -1.22 -4.98 114.94 114.55 1uub s ASN 41 Ca 0.00 2.66 0.00 0.00 0.42 0.00 0.00 52.86 55.94 1uub s ASN 41 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1uub s ASN 41 CO 0.00 -0.52 0.00 -3.20 -3.72 0.00 0.00 177.10 169.66 1uub n ASN 42 N 0.91 0.00 -4.59 -4.21 2.85 -1.26 -4.95 115.26 104.00 1uub n ASN 42 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1uub n ASN 42 Cb 0.42 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.35 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 2.07 0.00 1.20 0.08 0.20 -4.96 117.98 116.57 1uub s PHE 43 Ca 0.00 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.14 1uub s PHE 43 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1uub s PHE 43 CO 0.00 0.20 0.00 1.17 -0.10 0.00 0.00 175.22 176.49 1uub n LYS 44 N -1.05 2.80 -0.70 0.44 4.81 -1.26 -1.30 118.16 121.89 1uub n LYS 44 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1uub n LYS 44 Cb 0.67 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1uub n LYS 44 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1uub n SER 45 N -0.13 0.00 -0.15 3.14 3.41 -1.26 -4.78 113.62 113.84 1uub n SER 45 Ca 0.00 -0.69 -0.12 0.00 -0.26 0.00 0.00 58.87 57.81 1uub n SER 45 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1uub n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uub h ALA 46 N 1.97 0.65 -0.73 7.33 0.00 -2.01 -1.23 119.26 125.24 1uub h ALA 46 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1uub h ALA 46 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1uub h ALA 46 CO 0.00 0.64 0.24 1.49 0.00 0.00 0.00 179.25 181.62 1uub h GLU 47 N 0.82 1.14 0.74 0.00 4.57 -1.98 -0.16 114.58 119.70 1uub h GLU 47 Ca 0.10 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1uub h GLU 47 Cb 0.80 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1uub h GLU 47 CO 0.07 0.96 -0.36 -0.44 -1.18 0.00 0.00 179.01 178.07 1uub h ASP 48 N 1.08 -0.84 -0.92 1.04 3.32 -1.94 -1.41 116.42 116.75 1uub h ASP 48 Ca 0.24 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.48 1uub h ASP 48 Cb 0.29 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.99 1uub h ASP 48 CO -0.01 -0.48 0.59 0.00 -1.72 0.00 0.00 179.24 177.62 1uub h MET 50 N 0.60 0.04 -0.48 0.00 2.86 -0.99 0.13 114.93 117.10 1uub h MET 50 Ca 0.48 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 58.19 1uub h MET 50 Cb 0.92 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1uub h MET 50 CO -0.23 0.77 0.33 0.07 1.06 0.00 0.00 176.91 178.91 1uub h ARG 51 N -0.68 0.18 0.00 1.72 -0.00 -0.98 0.38 114.38 115.01 1uub h ARG 51 Ca -0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.98 59.89 1uub h ARG 51 Cb 0.78 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.70 1uub h ARG 51 CO 0.01 0.12 -0.52 1.15 -0.00 0.00 0.00 179.97 180.73 1uub h THR 52 N 0.18 0.71 0.00 0.08 2.02 -1.61 -3.45 112.91 110.84 1uub h THR 52 Ca 0.22 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1uub h THR 52 Cb 0.64 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1uub h THR 52 CO -0.04 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1uub h GLY 54 N 0.00 0.00 0.00 0.00 0.00 0.20 -3.47 103.07 99.80 1uub h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uub h GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1uub n GLY 55 N 1.75 -0.01 0.26 4.60 0.00 0.11 -4.91 105.19 106.98 1uub n GLY 55 Ca -0.02 0.63 0.03 0.00 0.00 0.00 0.00 46.02 46.66 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32