#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 -4.59 117.46 115.86 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 -0.21 -0.67 -4.44 0.00 -0.00 -1.09 0.33 117.00 110.93 1uub n LEU 4 Ca 0.00 0.17 -0.34 0.00 -0.00 0.00 0.00 56.01 55.84 1uub n LEU 4 Cb 0.00 0.91 0.10 0.00 -0.00 0.00 0.00 43.42 44.43 1uub n LEU 4 CO 0.00 -0.39 -0.02 -0.62 -0.00 0.00 0.00 177.39 176.35 1uub n GLU 5 N -2.71 -0.05 -1.52 1.47 1.02 -1.26 -4.50 120.64 113.09 1uub n GLU 5 Ca 0.00 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1uub n GLU 5 Cb 0.00 -1.85 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 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 -1.31 0.85 -1.78 3.49 -0.02 -1.26 -0.09 135.00 134.89 1uub n PRO 6 Ca 0.08 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 1uub n PRO 6 Cb 0.52 -2.76 0.05 0.00 -0.02 0.00 0.00 33.50 31.29 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 7.93 2.89 -0.04 0.52 0.02 -1.26 -4.51 135.00 140.55 1uub s PRO 7 Ca 1.10 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.99 1uub s PRO 7 Cb -0.59 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.83 1uub s PRO 7 CO 0.37 -1.36 0.90 0.71 -0.33 0.00 0.00 177.00 177.29 1uub s TYR 8 N -1.35 3.60 0.00 6.54 1.51 -1.26 -4.91 117.35 121.49 1uub s TYR 8 Ca 0.76 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 58.36 1uub s TYR 8 Cb -0.39 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.43 1uub s TYR 8 CO 0.44 -0.02 0.00 0.25 -1.11 0.00 0.00 175.55 175.11 1uub n THR 9 N 4.00 0.00 -2.32 -0.71 -2.24 -1.26 -3.92 114.28 107.82 1uub n THR 9 Ca 0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1uub n THR 9 Cb 0.51 -0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.28 4.73 0.13 3.38 0.00 -1.26 -3.68 105.19 109.77 1uub n GLY 10 Ca 0.00 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 2.35 0.38 -4.74 1.61 0.14 -1.91 -3.48 132.00 126.34 1uub h PRO 11 Ca 0.19 -0.65 -0.29 0.00 0.14 0.00 0.00 66.00 65.38 1uub h PRO 11 Cb 1.43 0.24 -0.15 0.00 0.14 0.00 0.00 31.00 32.66 1uub h PRO 11 CO 0.56 1.28 -0.63 0.00 0.14 0.00 0.00 178.00 179.35 1uub n ARG 13 N -0.33 0.00 0.00 0.00 1.74 -1.26 -2.44 116.66 114.37 1uub n ARG 13 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1uub n ARG 13 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.09 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 3.10 0.00 -3.44 7.54 0.00 -1.26 -4.85 120.51 121.60 1uub n ALA 14 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1uub n ALA 14 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.96 -1.05 -0.05 0.00 0.00 -1.26 -4.66 121.76 110.78 1uub s ALA 15 Ca 0.00 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.04 1uub s ALA 15 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1uub s ALA 15 CO 0.00 -1.11 -0.21 0.42 0.00 0.00 0.00 175.76 174.86 1uub s ILE 16 N 2.55 2.41 0.21 0.00 1.01 -0.44 -5.04 121.20 121.90 1uub s ILE 16 Ca 0.09 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.87 1uub s ILE 16 Cb -0.14 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1uub s ILE 16 CO -0.15 0.58 -0.18 -0.51 0.00 0.00 0.00 174.94 174.69 1uub s ILE 17 N -0.45 1.97 0.00 2.92 1.10 -1.26 -1.42 121.20 124.06 1uub s ILE 17 Ca 0.05 -2.14 0.00 0.00 -0.51 0.00 0.00 60.65 58.05 1uub s ILE 17 Cb -0.12 -2.03 0.00 0.00 0.15 0.00 0.00 42.46 40.46 1uub s ILE 17 CO 0.01 -0.43 0.00 -1.14 -2.11 0.00 0.00 174.94 171.28 1uub n ARG 18 N -0.16 0.00 -3.96 3.50 3.00 -1.26 -4.62 116.66 113.16 1uub n ARG 18 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.39 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 -0.89 3.47 0.46 -0.14 1.51 0.25 -1.55 117.35 120.47 1uub s TYR 19 Ca 0.00 0.41 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 1uub s TYR 19 Cb 0.00 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1uub s TYR 19 CO 0.00 0.58 0.02 -0.59 -1.11 0.00 0.00 175.55 174.46 1uub s PHE 20 N -0.70 2.07 -0.33 2.71 -0.12 -0.44 -2.14 117.98 119.02 1uub s PHE 20 Ca 0.13 -0.90 -0.11 0.00 -0.05 0.00 0.00 56.93 56.00 1uub s PHE 20 Cb -0.12 -1.60 -0.00 0.00 -0.63 0.00 0.00 43.02 40.67 1uub s PHE 20 CO 0.03 0.23 0.19 -0.47 -0.05 0.00 0.00 175.22 175.14 1uub s TYR 21 N -2.89 3.20 -0.82 3.49 5.04 -1.25 0.10 117.35 124.23 1uub s TYR 21 Ca 0.19 -0.53 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 1uub s TYR 21 Cb 0.05 -2.40 0.25 0.00 0.35 0.00 0.00 41.96 40.21 1uub s TYR 21 CO 0.10 -0.46 0.93 -1.71 -1.34 0.00 0.00 175.55 173.07 1uub n ASN 22 N 5.02 4.51 -2.09 4.32 5.15 0.75 -2.67 115.26 130.25 1uub n ASN 22 Ca -0.13 -3.35 0.00 0.00 -0.60 0.00 0.00 54.58 50.50 1uub n ASN 22 Cb 0.49 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 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 1.38 1.41 0.00 5.20 0.00 0.15 -0.05 120.51 128.60 1uub n ALA 23 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1uub n ALA 23 Cb 0.38 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.18 0.00 -0.03 0.00 4.01 -1.26 -4.88 118.16 118.18 1uub n LYS 24 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1uub n LYS 24 Cb 0.00 -0.18 -0.01 0.00 -0.51 0.00 0.00 35.03 34.33 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 -1.89 -3.45 119.26 121.74 1uub h ALA 25 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1uub h ALA 25 Cb 0.05 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uub h ALA 25 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1uub n GLY 26 N 1.71 -0.04 3.57 0.00 0.00 -1.24 -5.01 105.19 104.18 1uub n GLY 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.03 0.14 -3.90 0.99 4.32 0.93 -4.92 117.00 114.53 1uub n LEU 27 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1uub n LEU 27 Cb 0.25 -0.32 -0.17 0.00 -1.62 0.00 0.00 43.42 41.56 1uub n LEU 27 CO 0.00 -0.07 -0.42 0.00 -1.22 0.00 0.00 177.39 175.67 1uub n GLN 29 N 4.45 0.99 -3.83 0.00 0.00 0.29 -4.64 117.38 114.64 1uub n GLN 29 Ca -0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.70 1uub n GLN 29 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.65 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 1.98 0.06 0.00 1.69 -4.23 -1.25 -1.33 115.64 112.56 1uub s THR 30 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1uub s THR 30 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1uub s THR 30 CO 0.00 -0.29 0.00 2.22 -0.54 0.00 0.00 174.62 176.01 1uub n PHE 31 N 1.63 0.00 0.00 3.99 -1.74 -0.59 -4.67 117.46 116.07 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 -1.23 -4.43 118.33 114.95 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 0.00 3.52 4.11 -0.51 -4.78 117.16 119.51 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 -0.55 -0.40 0.34 -7.48 0.00 -1.24 -1.32 105.19 94.54 1uub n GLY 34 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.98 0.57 0.00 -0.02 0.00 -1.02 -4.37 105.19 102.33 1uub n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.25 -1.06 0.00 0.00 -1.26 -4.79 116.66 110.80 1uub n ARG 37 Ca 0.00 -0.57 -0.06 0.00 -0.00 0.00 0.00 57.85 57.21 1uub n ARG 37 Cb 0.00 -1.23 -0.03 0.00 -0.00 0.00 0.00 32.46 31.20 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 0.19 -0.10 -2.86 2.89 0.00 -1.26 -2.93 120.51 116.43 1uub n ALA 38 Ca 0.11 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 1uub n ALA 38 Cb 0.72 -1.39 -0.01 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 -0.30 -2.63 0.00 0.00 3.00 -1.26 -3.91 118.16 113.06 1uub n LYS 39 Ca -0.06 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1uub n LYS 39 Cb 0.46 -4.81 0.00 0.00 0.00 0.00 0.00 35.03 30.68 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 -1.81 0.00 -4.71 3.14 2.88 -1.15 -4.77 113.62 107.19 1uub n SER 40 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 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 6.49 0.00 -3.46 3.84 -1.25 -4.91 114.94 115.64 1uub s ASN 41 Ca 0.00 2.71 0.00 0.00 0.21 0.00 0.00 52.86 55.78 1uub s ASN 41 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1uub s ASN 41 CO 0.00 -0.92 0.00 -3.20 -2.79 0.00 0.00 177.10 170.19 1uub n ASN 42 N 4.60 0.00 -4.30 -4.21 2.85 -1.26 -4.87 115.26 108.07 1uub n ASN 42 Ca 0.16 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.47 1uub n ASN 42 Cb 0.38 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.29 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 1.43 -0.03 1.20 -0.12 -0.91 -4.98 117.98 114.56 1uub s PHE 43 Ca 0.00 -1.01 0.05 0.00 -0.05 0.00 0.00 56.93 55.92 1uub s PHE 43 Cb 0.00 -0.83 0.07 0.00 -0.63 0.00 0.00 43.02 41.63 1uub s PHE 43 CO 0.00 -0.16 0.98 0.36 -0.05 0.00 0.00 175.22 176.35 1uub n LYS 44 N -0.36 0.44 -3.62 1.99 2.85 -1.26 0.88 118.16 119.08 1uub n LYS 44 Ca -0.05 -1.35 -0.08 0.00 -1.05 0.00 0.00 58.31 55.78 1uub n LYS 44 Cb 0.64 -0.77 0.03 0.00 -0.65 0.00 0.00 35.03 34.28 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uub n SER 45 N -0.37 -2.15 -0.06 -5.58 7.64 -1.26 -4.94 113.62 106.90 1uub n SER 45 Ca 0.04 -2.47 -0.13 0.00 1.01 0.00 0.00 58.87 57.32 1uub n SER 45 Cb 0.64 3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 67.35 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 0.23 -0.05 -0.43 0.00 -2.00 0.21 119.26 119.22 1uub h ALA 46 Ca -0.31 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1uub h ALA 46 Cb 1.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1uub h ALA 46 CO 0.40 0.13 -0.27 1.49 0.00 0.00 0.00 179.25 181.00 1uub h GLU 47 N 0.02 0.09 0.24 0.00 4.57 -1.98 0.23 114.58 117.76 1uub h GLU 47 Ca 0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1uub h GLU 47 Cb 0.70 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1uub h GLU 47 CO 0.04 0.36 -0.12 -0.44 -1.18 0.00 0.00 179.01 177.67 1uub h ASP 48 N 0.08 -0.28 -0.88 1.04 3.32 -1.94 -0.93 116.42 116.84 1uub h ASP 48 Ca 0.01 -0.24 0.14 0.00 0.02 0.00 0.00 57.03 56.96 1uub h ASP 48 Cb 0.53 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1uub h ASP 48 CO 0.04 0.21 0.57 0.00 -1.72 0.00 0.00 179.24 178.34 1uub h MET 50 N 0.68 0.36 -0.73 0.00 2.86 -0.98 -2.20 114.93 114.93 1uub h MET 50 Ca 0.44 -0.33 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1uub h MET 50 Cb 0.70 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 1uub h MET 50 CO -0.20 0.98 0.48 0.07 1.06 0.00 0.00 176.91 179.31 1uub h ARG 51 N -0.15 0.54 0.00 1.72 0.11 -0.54 0.46 114.38 116.53 1uub h ARG 51 Ca -0.04 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 1uub h ARG 51 Cb 1.09 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1uub h ARG 51 CO 0.08 0.36 -0.00 1.15 0.10 0.00 0.00 179.97 181.66 1uub h THR 52 N 0.56 0.72 0.00 0.08 2.02 -1.52 -3.43 112.91 111.33 1uub h THR 52 Ca 0.34 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1uub h THR 52 Cb 0.57 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1uub h THR 52 CO -0.12 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1uub h GLY 54 N 0.00 -0.10 0.00 0.00 0.00 0.22 -3.47 103.07 99.73 1uub h GLY 54 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1uub h GLY 54 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1uub n GLY 55 N 1.42 -0.19 0.48 4.60 0.00 0.12 -4.95 105.19 106.67 1uub n GLY 55 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32