#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 -1.57 0.00 1.24 -1.74 -1.25 -4.38 117.46 109.76 1uub n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1uub n PHE 2 Cb 0.00 -0.79 0.00 0.00 1.52 0.00 0.00 39.48 40.21 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 -0.95 0.00 -4.83 0.00 -0.00 -0.89 -0.68 117.00 109.66 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 0.11 0.07 0.00 -0.00 0.00 0.00 43.42 43.60 1uub n LEU 4 CO 0.00 -0.14 0.72 -1.61 -0.00 0.00 0.00 177.39 176.36 1uub s GLU 5 N -1.28 2.56 -0.61 1.47 2.02 -1.26 -4.44 118.70 117.15 1uub s GLU 5 Ca 0.00 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 55.35 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 -1.29 2.44 -0.35 0.02 0.00 0.00 175.26 176.08 1uub n PRO 6 N -3.22 0.73 -1.28 0.39 -0.04 -1.26 -1.92 135.00 128.40 1uub n PRO 6 Ca 0.07 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 1uub n PRO 6 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1uub n PRO 7 N 8.62 0.00 -1.95 0.54 -0.01 -1.26 -4.27 135.00 136.67 1uub n PRO 7 Ca 0.47 0.00 -0.43 0.00 -0.01 0.00 0.00 63.50 63.54 1uub n PRO 7 Cb 0.29 -1.00 -0.03 0.00 -0.01 0.00 0.00 33.50 32.76 1uub n PRO 7 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 175.50 177.01 1uub s TYR 8 N -1.74 1.78 -0.43 6.00 1.13 -1.26 -4.93 117.35 117.89 1uub s TYR 8 Ca 0.58 0.46 0.05 0.00 -1.41 0.00 0.00 57.07 56.76 1uub s TYR 8 Cb -0.60 -4.04 0.17 0.00 -1.10 0.00 0.00 41.96 36.39 1uub s TYR 8 CO 0.63 -3.41 0.53 0.95 -2.51 0.00 0.00 175.55 171.74 1uub s THR 9 N 6.11 -0.55 0.00 -3.49 -4.23 -1.26 -4.52 115.64 107.69 1uub s THR 9 Ca 0.80 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1uub s THR 9 Cb -0.27 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1uub s THR 9 CO 0.33 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1uub n GLY 10 N 3.66 0.03 0.37 3.99 0.00 -1.26 -5.03 105.19 106.95 1uub n GLY 10 Ca 0.16 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.68 -4.61 1.61 0.13 -1.97 -3.44 132.00 124.40 1uub h PRO 11 Ca 0.00 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.83 1uub h PRO 11 Cb 0.00 -0.15 -0.19 0.00 0.13 0.00 0.00 31.00 30.79 1uub h PRO 11 CO 0.00 0.45 -0.72 0.00 -0.23 0.00 0.00 178.00 177.50 1uub n ARG 13 N 0.90 -0.89 0.00 0.00 1.74 -1.26 -2.92 116.66 114.23 1uub n ARG 13 Ca -0.19 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1uub n ARG 13 Cb 0.57 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.87 -0.02 -3.16 7.54 0.00 -1.26 -4.81 120.51 117.93 1uub n ALA 14 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1uub n ALA 14 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.43 -3.51 0.04 0.00 0.00 -1.26 -4.78 121.76 108.82 1uub s ALA 15 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1uub s ALA 15 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1uub s ALA 15 CO 0.00 -1.45 -0.11 0.42 0.00 0.00 0.00 175.76 174.62 1uub s ILE 16 N 2.93 3.32 0.29 0.00 1.09 -0.12 -5.03 121.20 123.68 1uub s ILE 16 Ca -0.03 -1.03 0.11 0.00 -1.10 0.00 0.00 60.65 58.61 1uub s ILE 16 Cb -0.10 -2.46 -0.05 0.00 -1.06 0.00 0.00 42.46 38.79 1uub s ILE 16 CO -0.10 0.30 -0.17 -0.51 -0.10 0.00 0.00 174.94 174.36 1uub s ILE 17 N -1.03 2.50 -0.43 2.92 1.10 -1.26 -1.89 121.20 123.11 1uub s ILE 17 Ca 0.18 -2.34 0.00 0.00 -0.51 0.00 0.00 60.65 57.97 1uub s ILE 17 Cb -0.11 -2.39 0.00 0.00 0.15 0.00 0.00 42.46 40.11 1uub s ILE 17 CO 0.09 -0.36 0.00 -1.14 -2.11 0.00 0.00 174.94 171.41 1uub n ARG 18 N -0.67 0.00 -3.88 3.50 3.00 -1.26 -4.48 116.66 112.87 1uub n ARG 18 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.45 1uub n ARG 18 Cb 0.61 0.00 -0.09 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 -4.00 3.33 0.38 -0.14 1.51 -0.55 -1.92 117.35 115.96 1uub s TYR 19 Ca 0.00 0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.32 1uub s TYR 19 Cb 0.00 -2.11 -0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1uub s TYR 19 CO 0.00 0.23 0.02 -0.59 -1.11 0.00 0.00 175.55 174.10 1uub s PHE 20 N 0.32 2.34 -0.21 2.71 -0.12 -0.53 -1.61 117.98 120.87 1uub s PHE 20 Ca 0.06 -0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 56.16 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 -0.01 0.32 -0.08 -0.47 -0.05 0.00 0.00 175.22 174.94 1uub s TYR 21 N -2.88 2.92 -0.72 3.49 5.04 -1.25 0.99 117.35 124.94 1uub s TYR 21 Ca 0.35 -1.14 0.03 0.00 -2.44 0.00 0.00 57.07 53.87 1uub s TYR 21 Cb 0.09 -2.06 0.32 0.00 0.35 0.00 0.00 41.96 40.66 1uub s TYR 21 CO 0.17 -0.62 1.15 -1.71 -1.34 0.00 0.00 175.55 173.19 1uub n ASN 22 N 4.75 5.14 -2.24 4.32 5.15 0.20 -2.09 115.26 130.49 1uub n ASN 22 Ca -0.19 -3.64 -0.01 0.00 -0.60 0.00 0.00 54.58 50.15 1uub n ASN 22 Cb 0.50 -0.75 -0.01 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.04 1.62 0.00 5.20 0.00 0.15 -0.28 120.51 127.23 1uub n ALA 23 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1uub n ALA 23 Cb 0.36 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1uub n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uub n LYS 24 N 2.52 0.00 -0.00 0.00 0.00 -1.26 -4.85 118.16 114.57 1uub n LYS 24 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.33 1uub n LYS 24 Cb 0.07 -0.45 -0.00 0.00 0.00 0.00 0.00 35.03 34.65 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1uub n ALA 25 N -1.45 0.01 -1.04 3.14 0.00 -0.87 -4.88 120.51 115.42 1uub n ALA 25 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1uub n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.56 -2.52 7.00 0.00 0.00 -1.23 -5.13 105.19 104.87 1uub n GLY 26 Ca -0.00 -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 -0.02 0.00 -3.78 0.99 4.32 0.61 -4.89 117.00 114.23 1uub n LEU 27 Ca 0.00 0.00 -0.54 0.00 -0.02 0.00 0.00 56.01 55.45 1uub n LEU 27 Cb 0.51 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 1uub n LEU 27 CO 0.00 0.00 1.13 0.00 -1.22 0.00 0.00 177.39 177.30 1uub n GLN 29 N 4.36 1.84 -3.83 0.00 0.00 0.28 -4.76 117.38 115.28 1uub n GLN 29 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 57.21 1uub n GLN 29 Cb -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.11 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 1.41 0.09 0.00 1.69 -4.23 -1.26 -1.46 115.64 111.88 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 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1uub s THR 30 CO 0.00 -0.40 0.00 2.22 -0.54 0.00 0.00 174.62 175.90 1uub n PHE 31 N 1.04 0.00 0.00 3.99 -1.74 -0.81 -4.70 117.46 115.24 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 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 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 -2.19 1.97 3.14 -1.22 -4.18 118.33 115.85 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 0.00 1.45 4.11 -0.79 -4.65 117.16 117.28 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 -0.41 0.17 0.01 -7.48 0.00 -1.26 -0.94 105.19 95.27 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 4.37 -2.91 0.00 -0.02 0.00 -1.15 -4.70 105.19 100.77 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 1.17 -1.69 0.00 1.85 -1.26 -4.78 116.66 111.94 1uub n ARG 37 Ca 0.00 -0.38 -0.11 0.00 -1.00 0.00 0.00 57.85 56.36 1uub n ARG 37 Cb 0.00 -1.16 -0.03 0.00 -1.05 0.00 0.00 32.46 30.22 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 0.29 -0.38 -2.64 2.89 0.00 -1.26 -3.03 120.51 116.37 1uub n ALA 38 Ca 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1uub n ALA 38 Cb 0.64 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.07 -0.90 -0.56 0.00 3.00 -1.26 0.09 118.16 116.46 1uub n LYS 39 Ca -0.12 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1uub n LYS 39 Cb 0.44 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.67 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 -0.45 0.00 -4.86 3.14 2.88 -1.17 -4.98 113.62 108.19 1uub n SER 40 Ca 0.05 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.27 1uub n SER 40 Cb 0.17 -1.93 -0.05 0.00 -0.75 0.00 0.00 64.21 61.65 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 -2.22 6.04 0.00 -3.46 3.84 0.11 -5.03 114.94 114.23 1uub s ASN 41 Ca 0.00 0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.27 1uub s ASN 41 Cb 0.00 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 38.90 1uub s ASN 41 CO 0.00 0.22 0.00 -3.20 -2.79 0.00 0.00 177.10 171.33 1uub n ASN 42 N 0.69 0.00 -4.95 -4.21 2.85 -1.26 -4.86 115.26 103.52 1uub n ASN 42 Ca -0.09 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.19 1uub n ASN 42 Cb 0.52 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 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 2.88 0.00 1.20 0.08 -0.63 -4.96 117.98 116.55 1uub s PHE 43 Ca 0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1uub s PHE 43 Cb 0.00 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.32 1uub s PHE 43 CO 0.00 -0.14 0.00 1.17 -0.10 0.00 0.00 175.22 176.15 1uub n LYS 44 N -1.64 0.00 -0.34 0.44 4.81 -1.26 -1.47 118.16 118.69 1uub n LYS 44 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1uub n LYS 44 Cb 0.59 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 35.30 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 0.00 0.00 -0.02 3.14 3.41 -1.26 -4.95 113.62 113.94 1uub n SER 45 Ca 0.00 -0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.21 1uub n SER 45 Cb 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 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 2.00 0.48 -0.38 7.33 0.00 -2.01 -1.95 119.26 124.73 1uub h ALA 46 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 1uub h ALA 46 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1uub h ALA 46 CO 0.00 0.70 -0.30 1.05 0.00 0.00 0.00 179.25 180.70 1uub h GLU 47 N 0.51 0.83 0.26 0.00 4.11 -1.98 -0.76 114.58 117.54 1uub h GLU 47 Ca -0.02 -0.38 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 1uub h GLU 47 Cb 1.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1uub h GLU 47 CO 0.13 1.02 -0.12 -0.44 0.07 0.00 0.00 179.01 179.67 1uub h ASP 48 N 0.70 -0.29 -0.44 3.06 3.32 -1.95 -1.09 116.42 119.73 1uub h ASP 48 Ca 0.08 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1uub h ASP 48 Cb 0.85 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1uub h ASP 48 CO 0.07 -0.02 0.29 0.00 -1.72 0.00 0.00 179.24 177.87 1uub h MET 50 N 0.60 0.58 -0.55 0.00 2.86 -1.17 -2.51 114.93 114.74 1uub h MET 50 Ca 0.16 -0.47 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1uub h MET 50 Cb -0.07 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1uub h MET 50 CO -0.04 1.09 0.36 0.07 1.06 0.00 0.00 176.91 179.46 1uub h ARG 51 N 0.21 0.53 0.00 1.72 0.11 -1.21 0.52 114.38 116.26 1uub h ARG 51 Ca -0.04 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 1uub h ARG 51 Cb 1.19 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 1uub h ARG 51 CO 0.12 0.35 -0.52 1.15 0.10 0.00 0.00 179.97 181.16 1uub h THR 52 N 0.54 0.39 -0.00 0.08 2.02 -1.59 -3.42 112.91 110.93 1uub h THR 52 Ca 0.23 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1uub h THR 52 Cb 0.23 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1uub h THR 52 CO -0.06 0.13 -0.17 0.00 0.37 0.00 0.00 175.52 175.79 1uub h GLY 54 N 1.29 0.00 -0.06 0.00 0.00 -0.12 -3.49 103.07 100.69 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 1.61 0.36 0.91 4.60 0.00 0.95 -5.00 105.19 108.61 1uub n GLY 55 Ca -0.11 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.35 1uub n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32