#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.00 1.02 1.24 1.16 -1.26 -4.73 117.46 114.89 1uua n PHE 2 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 1uua n PHE 2 Cb 0.00 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.01 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N -1.34 0.24 -4.93 0.00 7.99 -1.26 -4.06 117.00 113.63 1uua n LEU 4 Ca 0.06 0.21 -0.26 0.00 -0.01 0.00 0.00 56.01 56.01 1uua n LEU 4 Cb 0.34 -0.31 -0.02 0.00 -0.11 0.00 0.00 43.42 43.32 1uua n LEU 4 CO 0.36 0.05 0.16 -1.61 -1.51 0.00 0.00 177.39 174.84 1uua s GLU 5 N -2.74 3.54 1.19 3.23 0.41 -1.25 -4.75 118.70 118.32 1uua s GLU 5 Ca 0.21 -0.23 -0.15 0.00 -0.41 0.00 0.00 54.97 54.40 1uua s GLU 5 Cb 0.19 -2.69 0.29 0.00 -1.78 0.00 0.00 34.13 30.14 1uua s GLU 5 CO 0.53 0.22 1.02 -2.14 -0.49 0.00 0.00 175.26 174.39 1uua s PRO 6 N -3.89 -1.15 0.21 0.39 0.02 -1.26 -4.79 135.00 124.53 1uua s PRO 6 Ca 0.41 0.61 -0.32 0.00 0.02 0.00 0.00 61.00 61.72 1uua s PRO 6 Cb -0.10 -1.55 -0.14 0.00 0.02 0.00 0.00 34.50 32.73 1uua s PRO 6 CO 0.33 -3.82 1.37 -0.35 -0.33 0.00 0.00 177.00 174.20 1uua n PRO 7 N -4.95 1.80 -2.69 5.54 -0.04 -1.26 -4.96 135.00 128.44 1uua n PRO 7 Ca 0.05 0.64 -0.25 0.00 -0.04 0.00 0.00 63.50 63.90 1uua n PRO 7 Cb 0.56 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.73 1uua n PRO 7 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uua n TYR 8 N 2.02 3.31 -0.08 0.54 9.36 -1.26 -4.76 117.16 126.29 1uua n TYR 8 Ca 0.13 -3.44 0.09 0.00 3.32 0.00 0.00 57.90 58.00 1uua n TYR 8 Cb 0.29 -0.27 0.28 0.00 -0.63 0.00 0.00 39.34 39.02 1uua n TYR 8 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1uua n THR 9 N -0.33 1.18 0.00 2.97 -1.04 -1.26 -4.63 114.28 111.17 1uua n THR 9 Ca 0.33 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1uua n THR 9 Cb 0.58 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 1uua n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uua n GLY 10 N 1.21 0.90 0.06 3.41 0.00 -1.26 -2.22 105.19 107.28 1uua n GLY 10 Ca 0.21 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 7.31 1.08 -3.81 1.61 -0.05 -1.26 -4.85 135.00 135.03 1uua n PRO 11 Ca 0.00 -0.12 -0.32 0.00 -0.05 0.00 0.00 63.50 63.02 1uua n PRO 11 Cb 0.00 -1.41 -0.04 0.00 -0.05 0.00 0.00 33.50 31.99 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua s LYS 13 N -2.44 0.44 0.00 0.00 1.02 -1.26 -4.56 119.74 112.94 1uua s LYS 13 Ca 0.36 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1uua s LYS 13 Cb -0.13 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 1uua s LYS 13 CO 0.25 -1.10 1.35 0.00 -0.92 0.00 0.00 175.35 174.93 1uua n ALA 14 N 4.88 3.04 -2.06 5.17 0.00 0.36 -4.82 120.51 127.09 1uua n ALA 14 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 1uua n ALA 14 Cb 0.45 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1uua n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uua n ARG 15 N 0.91 -2.18 -3.88 0.00 -4.01 -1.26 -4.91 116.66 101.33 1uua n ARG 15 Ca 0.00 0.27 -0.27 0.00 -1.04 0.00 0.00 57.85 56.81 1uua n ARG 15 Cb 0.49 -4.67 -0.17 0.00 -3.04 0.00 0.00 32.46 25.07 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1uua s ILE 16 N -2.00 0.96 0.20 8.89 1.01 -1.26 -5.02 121.20 123.99 1uua s ILE 16 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1uua s ILE 16 Cb 0.00 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.33 1uua s ILE 16 CO 0.00 0.28 0.90 -0.63 0.00 0.00 0.00 174.94 175.49 1uua s ILE 17 N 1.72 4.20 0.02 2.92 1.01 -1.26 0.18 121.20 129.99 1uua s ILE 17 Ca 0.04 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1uua s ILE 17 Cb -0.13 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 1uua s ILE 17 CO -0.08 0.48 0.01 -1.14 0.00 0.00 0.00 174.94 174.21 1uua n ARG 18 N 1.70 0.79 -4.30 2.79 0.63 2.05 -4.82 116.66 115.50 1uua n ARG 18 Ca -0.02 -0.17 -0.21 0.00 -0.92 0.00 0.00 57.85 56.52 1uua n ARG 18 Cb 0.48 0.10 -0.11 0.00 0.45 0.00 0.00 32.46 33.37 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uua s TYR 19 N -1.67 1.69 0.07 -0.14 1.51 0.24 0.18 117.35 119.22 1uua s TYR 19 Ca 0.01 -0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 55.53 1uua s TYR 19 Cb 0.00 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1uua s TYR 19 CO 0.01 0.25 0.12 -0.59 -1.11 0.00 0.00 175.55 174.23 1uua s PHE 20 N -1.90 0.24 -0.25 2.71 -0.71 -0.46 -0.41 117.98 117.19 1uua s PHE 20 Ca 0.12 -0.65 -0.19 0.00 -1.04 0.00 0.00 56.93 55.16 1uua s PHE 20 Cb -0.06 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1uua s PHE 20 CO 0.05 -0.46 0.58 -0.47 -1.34 0.00 0.00 175.22 173.57 1uua s TYR 21 N -3.53 3.28 -0.50 3.49 5.04 -1.26 -0.08 117.35 123.79 1uua s TYR 21 Ca 0.03 0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 55.28 1uua s TYR 21 Cb 0.04 -2.78 0.12 0.00 0.35 0.00 0.00 41.96 39.69 1uua s TYR 21 CO -0.09 -0.29 0.42 -0.80 -1.34 0.00 0.00 175.55 173.45 1uua s ASN 22 N 1.48 5.94 0.00 4.32 -0.87 -0.70 -4.67 114.94 120.44 1uua s ASN 22 Ca 0.24 -1.83 0.00 0.00 -1.57 0.00 0.00 52.86 49.70 1uua s ASN 22 Cb -0.16 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 38.97 1uua s ASN 22 CO 0.09 -0.77 0.48 0.00 -2.57 0.00 0.00 177.10 174.33 1uua n ALA 23 N 5.07 2.11 -0.03 0.60 0.00 -1.26 -1.73 120.51 125.27 1uua n ALA 23 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1uua n ALA 23 Cb 0.40 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N -0.09 0.66 -0.02 0.00 4.81 -1.26 -4.61 118.16 117.64 1uua n LYS 24 Ca 0.00 0.04 -0.03 0.00 -0.87 0.00 0.00 58.31 57.45 1uua n LYS 24 Cb 0.11 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 33.51 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua n ALA 25 N -2.50 1.91 0.00 3.14 0.00 -1.06 -5.06 120.51 116.94 1uua n ALA 25 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1uua n ALA 25 Cb 0.90 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.72 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 3.20 1.87 3.56 0.00 0.00 -0.71 -5.13 105.19 107.99 1uua n GLY 26 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1uua n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uua s LEU 27 N 0.00 0.32 -0.18 0.99 2.34 -1.23 -5.02 118.68 115.91 1uua s LEU 27 Ca 0.00 -0.82 -0.16 0.00 0.06 0.00 0.00 54.13 53.21 1uua s LEU 27 Cb 0.00 1.82 -0.04 0.00 -0.56 0.00 0.00 46.19 47.40 1uua s LEU 27 CO 0.00 -1.11 0.38 0.00 -1.06 0.00 0.00 176.35 174.56 1uua s GLN 29 N 0.94 3.50 -0.21 0.00 2.00 0.89 -4.80 119.66 121.97 1uua s GLN 29 Ca 0.19 -0.33 -0.15 0.00 -2.00 0.00 0.00 55.36 53.07 1uua s GLN 29 Cb -0.14 -2.69 -0.04 0.00 0.80 0.00 0.00 33.01 30.94 1uua s GLN 29 CO 0.07 0.19 0.38 0.95 -0.50 0.00 0.00 175.29 176.38 1uua s THR 30 N -2.24 5.21 0.15 -0.34 -4.23 -1.26 -1.36 115.64 111.56 1uua s THR 30 Ca 0.40 0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 61.37 1uua s THR 30 Cb -0.10 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1uua s THR 30 CO 0.35 0.25 0.47 0.72 -0.54 0.00 0.00 174.62 175.86 1uua s PHE 31 N 1.40 -0.27 1.06 3.99 -0.71 0.13 -4.97 117.98 118.61 1uua s PHE 31 Ca 0.18 -0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.86 1uua s PHE 31 Cb -0.15 0.36 0.26 0.00 -1.21 0.00 0.00 43.02 42.28 1uua s PHE 31 CO 0.08 -0.78 1.07 0.28 -1.34 0.00 0.00 175.22 174.53 1uua n VAL 32 N -0.29 0.00 -3.79 -2.49 0.31 -1.26 0.53 118.33 111.34 1uua n VAL 32 Ca -0.15 -0.58 -0.11 0.00 -0.01 0.00 0.00 64.34 63.49 1uua n VAL 32 Cb 0.64 -1.32 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 1uua n VAL 32 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1uua s TYR 33 N -3.08 -0.03 -0.04 3.52 5.04 0.47 -4.15 117.35 119.09 1uua s TYR 33 Ca 0.67 -0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 1uua s TYR 33 Cb -0.05 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.31 1uua s TYR 33 CO 0.50 -0.49 0.10 0.20 -1.34 0.00 0.00 175.55 174.52 1uua s GLY 34 N -2.21 -0.07 0.00 8.97 0.00 -1.26 -0.48 107.32 112.27 1uua s GLY 34 Ca -0.03 0.27 0.23 0.00 0.00 0.00 0.00 44.72 45.19 1uua s GLY 34 CO -0.05 0.22 1.85 0.61 0.00 0.00 0.00 173.10 175.73 1uua n GLY 35 N 2.94 -0.93 0.53 0.20 0.00 -1.26 -3.11 105.19 103.56 1uua n GLY 35 Ca -0.13 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua n ARG 37 N 0.15 2.86 0.00 0.00 5.12 -1.19 -5.00 116.66 118.60 1uua n ARG 37 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1uua n ARG 37 Cb 0.44 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uua n ALA 38 N -0.38 0.00 -2.00 7.54 0.00 -1.18 -4.93 120.51 119.56 1uua n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uua n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1uua n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 39 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.11 118.16 114.79 1uua n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uua n LYS 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1uua n ARG 40 N 0.00 0.00 0.00 1.64 5.12 -1.26 -4.91 116.66 117.24 1uua n ARG 40 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 1uua n ARG 40 Cb 0.00 -0.17 0.34 0.00 -1.16 0.00 0.00 32.46 31.47 1uua n ARG 40 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1uua n ASN 41 N -0.74 0.00 -4.72 0.55 5.15 -1.23 -4.72 115.26 109.56 1uua n ASN 41 Ca 0.00 -0.16 -0.35 0.00 -0.60 0.00 0.00 54.58 53.46 1uua n ASN 41 Cb 0.00 -0.13 -0.09 0.00 -0.53 0.00 0.00 39.78 39.03 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1uua s ASN 42 N -2.26 5.49 -0.18 1.20 0.02 -1.26 -4.24 114.94 113.71 1uua s ASN 42 Ca 0.15 0.21 -0.09 0.00 -1.02 0.00 0.00 52.86 52.11 1uua s ASN 42 Cb 0.08 -1.63 0.07 0.00 0.02 0.00 0.00 41.25 39.80 1uua s ASN 42 CO 0.16 0.37 0.42 -0.36 0.02 0.00 0.00 177.10 177.71 1uua s PHE 43 N -0.84 -0.69 0.20 2.20 0.08 0.45 -4.96 117.98 114.42 1uua s PHE 43 Ca 0.13 1.40 -0.08 0.00 0.12 0.00 0.00 56.93 58.49 1uua s PHE 43 Cb -0.12 0.29 0.12 0.00 -0.57 0.00 0.00 43.02 42.74 1uua s PHE 43 CO 0.03 -0.40 1.70 0.87 -0.10 0.00 0.00 175.22 177.32 1uua h LYS 44 N 7.52 1.11 -5.24 0.44 6.56 -1.91 0.70 116.57 125.74 1uua h LYS 44 Ca -0.29 -0.29 -0.60 0.00 -1.06 0.00 0.00 60.65 58.41 1uua h LYS 44 Cb 1.16 -0.13 -0.12 0.00 -0.57 0.00 0.00 32.23 32.56 1uua h LYS 44 CO 0.23 1.01 -0.48 -1.12 -2.06 0.00 0.00 179.45 177.02 1uua s SER 45 N -6.51 6.20 0.20 0.86 0.01 -1.26 -4.51 113.70 108.69 1uua s SER 45 Ca -0.12 0.22 -0.10 0.00 1.31 0.00 0.00 55.95 57.27 1uua s SER 45 Cb 0.14 -2.10 0.12 0.00 0.21 0.00 0.00 66.02 64.40 1uua s SER 45 CO 0.85 0.14 1.76 0.00 0.41 0.00 0.00 173.24 176.40 1uua h ALA 46 N 6.89 0.92 -0.35 1.44 0.00 -1.97 -2.10 119.26 124.08 1uua h ALA 46 Ca -0.40 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.40 1uua h ALA 46 Cb 1.16 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1uua h ALA 46 CO 0.73 0.54 -0.39 1.05 0.00 0.00 0.00 179.25 181.19 1uua h GLU 47 N 1.01 -0.32 -0.24 0.00 4.11 -1.98 0.84 114.58 118.01 1uua h GLU 47 Ca 0.24 0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.65 1uua h GLU 47 Cb 0.20 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1uua h GLU 47 CO -0.02 -0.21 -0.02 -0.44 0.07 0.00 0.00 179.01 178.39 1uua h ASP 48 N -0.33 0.43 -0.56 3.06 3.32 -1.96 0.36 116.42 120.73 1uua h ASP 48 Ca 0.14 -0.33 0.11 0.00 0.02 0.00 0.00 57.03 56.97 1uua h ASP 48 Cb 0.57 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 1uua h ASP 48 CO -0.52 0.66 -0.23 0.00 -1.72 0.00 0.00 179.24 177.42 1uua h MET 50 N -0.10 0.25 0.00 0.00 2.86 -0.85 0.90 114.93 117.99 1uua h MET 50 Ca 0.26 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1uua h MET 50 Cb 0.50 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1uua h MET 50 CO -0.63 0.92 -0.01 -0.09 1.06 0.00 0.00 176.91 178.17 1uua h ARG 51 N 0.15 0.00 0.00 1.72 2.43 0.69 0.67 114.38 120.05 1uua h ARG 51 Ca -0.04 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.83 1uua h ARG 51 Cb 1.39 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 1uua h ARG 51 CO 0.13 0.01 -1.99 2.41 -1.51 0.00 0.00 179.97 179.01 1uua n THR 52 N -4.43 1.43 -1.24 0.20 -1.04 -0.00 -4.41 114.28 104.79 1uua n THR 52 Ca -0.03 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.61 1uua n THR 52 Cb 0.09 -1.98 0.21 0.00 -1.82 0.00 0.00 70.33 66.83 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N -0.97 2.19 0.00 0.00 0.00 0.24 -4.80 105.19 101.85 1uua n GLY 54 Ca 0.51 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N 0.06 1.81 3.79 -0.02 0.00 -1.25 -4.70 105.19 104.88 1uua n GLY 55 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32