#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykt n PRO 2 N 0.00 1.50 -0.18 2.89 -0.02 -1.26 -4.92 135.00 133.01 1ykt n PRO 2 Ca 0.00 0.54 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 1ykt n PRO 2 Cb 0.00 -2.26 0.21 0.00 -0.02 0.00 0.00 33.50 31.43 1ykt n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1ykt h ASP 3 N 1.49 0.83 0.36 2.55 2.03 -2.02 -2.49 116.42 119.18 1ykt h ASP 3 Ca -0.47 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 1ykt h ASP 3 Cb 1.32 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1ykt h ASP 3 CO 0.57 0.71 0.00 2.19 -1.03 0.00 0.00 179.24 181.67 1ykt h PHE 4 N 0.93 0.00 0.00 4.15 -5.15 -1.97 -1.26 116.94 113.64 1ykt h PHE 4 Ca 0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.00 1ykt h PHE 4 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 1ykt h PHE 4 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 1ykt n LEU 6 N -3.08 1.21 -4.78 0.00 4.77 -0.47 -4.45 117.00 110.19 1ykt n LEU 6 Ca 0.01 -0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 1ykt n LEU 6 Cb 0.31 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1ykt n LEU 6 CO 0.27 0.24 0.66 -1.61 -1.33 0.00 0.00 177.39 175.62 1ykt s GLU 7 N -2.62 4.55 0.70 3.23 0.41 -1.03 -4.91 118.70 119.03 1ykt s GLU 7 Ca 0.19 1.35 -0.14 0.00 -0.41 0.00 0.00 54.97 55.97 1ykt s GLU 7 Cb 0.18 -2.78 0.02 0.00 -1.78 0.00 0.00 34.13 29.78 1ykt s GLU 7 CO 0.60 0.24 1.12 -1.25 -0.49 0.00 0.00 175.26 175.48 1ykt s PRO 8 N -2.09 2.52 0.35 0.39 0.04 -1.26 -4.94 135.00 130.01 1ykt s PRO 8 Ca 0.51 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1ykt s PRO 8 Cb -0.19 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1ykt s PRO 8 CO 0.24 -1.47 1.51 -0.35 0.04 0.00 0.00 177.00 176.97 1ykt n PRO 9 N -2.78 2.65 -3.77 0.56 -0.04 -1.26 -4.98 135.00 125.38 1ykt n PRO 9 Ca 0.10 0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 64.13 1ykt n PRO 9 Cb 0.52 -2.67 -0.12 0.00 -0.04 0.00 0.00 33.50 31.18 1ykt n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ykt s TYR 10 N -0.82 3.27 0.17 0.54 5.04 -1.26 -4.98 117.35 119.32 1ykt s TYR 10 Ca 0.56 -1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 53.57 1ykt s TYR 10 Cb -0.49 -2.31 0.05 0.00 0.35 0.00 0.00 41.96 39.56 1ykt s TYR 10 CO 0.60 -0.75 1.57 1.15 -1.34 0.00 0.00 175.55 176.78 1ykt h THR 11 N 6.22 1.27 0.00 4.34 2.02 -1.94 -3.44 112.91 121.38 1ykt h THR 11 Ca -0.23 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1ykt h THR 11 Cb 1.08 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1ykt h THR 11 CO 0.60 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.57 1ykt n GLY 12 N -0.17 -0.26 0.23 2.16 0.00 -1.26 0.08 105.19 105.97 1ykt n GLY 12 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1ykt n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykt h PRO 13 N 0.00 0.00 -7.20 1.61 0.13 -1.93 -3.44 132.00 121.18 1ykt h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1ykt h PRO 13 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1ykt h PRO 13 CO 0.00 0.05 0.38 0.00 -0.23 0.00 0.00 178.00 178.20 1ykt n LYS 15 N -2.19 2.23 -1.98 0.00 5.02 -1.21 -4.31 118.16 115.70 1ykt n LYS 15 Ca 0.10 -3.10 -0.29 0.00 -2.02 0.00 0.00 58.31 53.00 1ykt n LYS 15 Cb 0.52 -1.93 0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1ykt n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykt s ALA 16 N -3.18 2.55 -0.46 7.82 0.00 0.42 -5.04 121.76 123.87 1ykt s ALA 16 Ca 0.48 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1ykt s ALA 16 Cb 0.42 -2.78 0.13 0.00 0.00 0.00 0.00 23.12 20.89 1ykt s ALA 16 CO 0.04 -2.02 0.23 0.50 0.00 0.00 0.00 175.76 174.52 1ykt s ARG 17 N -5.68 1.52 -0.18 0.00 3.00 -1.26 -4.33 118.95 112.03 1ykt s ARG 17 Ca 0.68 -2.19 0.00 0.00 -1.00 0.00 0.00 55.73 53.23 1ykt s ARG 17 Cb -0.07 -2.72 0.01 0.00 0.00 0.00 0.00 34.95 32.17 1ykt s ARG 17 CO 0.50 -1.13 -0.17 0.42 0.00 0.00 0.00 175.30 174.93 1ykt s ILE 18 N 0.19 2.33 -0.12 4.11 1.01 -0.64 -4.97 121.20 123.12 1ykt s ILE 18 Ca 0.17 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1ykt s ILE 18 Cb -0.25 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1ykt s ILE 18 CO -0.01 0.52 1.13 -0.63 0.00 0.00 0.00 174.94 175.95 1ykt s ILE 19 N 1.19 4.48 0.25 2.92 1.01 -1.26 0.02 121.20 129.81 1ykt s ILE 19 Ca 0.02 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.48 1ykt s ILE 19 Cb -0.14 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1ykt s ILE 19 CO -0.08 -0.06 0.02 -0.13 0.00 0.00 0.00 174.94 174.69 1ykt s ARG 20 N 2.57 1.39 0.02 2.79 1.81 -0.77 -4.94 118.95 121.81 1ykt s ARG 20 Ca 0.52 -1.72 0.01 0.00 -1.72 0.00 0.00 55.73 52.82 1ykt s ARG 20 Cb -0.21 -0.62 -0.04 0.00 -0.45 0.00 0.00 34.95 33.64 1ykt s ARG 20 CO 0.17 -0.13 0.06 0.71 -0.68 0.00 0.00 175.30 175.43 1ykt s TYR 21 N -3.44 3.20 0.04 -0.53 2.02 0.11 -1.39 117.35 117.38 1ykt s TYR 21 Ca 0.31 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1ykt s TYR 21 Cb 0.06 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1ykt s TYR 21 CO 0.10 0.52 0.03 -0.59 -1.57 0.00 0.00 175.55 174.04 1ykt s PHE 22 N -1.21 0.33 -0.22 2.71 -0.71 0.30 0.48 117.98 119.66 1ykt s PHE 22 Ca 0.23 -0.72 -0.22 0.00 -1.04 0.00 0.00 56.93 55.19 1ykt s PHE 22 Cb -0.12 -0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.43 1ykt s PHE 22 CO 0.15 -0.34 0.68 -0.47 -1.34 0.00 0.00 175.22 173.90 1ykt s TYR 23 N -2.90 3.34 -0.70 3.49 5.04 -1.26 -0.87 117.35 123.49 1ykt s TYR 23 Ca -0.03 0.95 -0.17 0.00 -2.44 0.00 0.00 57.07 55.39 1ykt s TYR 23 Cb 0.01 -2.87 0.15 0.00 0.35 0.00 0.00 41.96 39.59 1ykt s TYR 23 CO -0.06 -0.27 0.73 1.21 -1.34 0.00 0.00 175.55 175.82 1ykt s ASN 24 N 1.32 6.42 0.23 4.32 3.84 0.12 -4.81 114.94 126.38 1ykt s ASN 24 Ca 0.30 -1.99 -0.06 0.00 0.21 0.00 0.00 52.86 51.32 1ykt s ASN 24 Cb -0.16 -2.26 0.35 0.00 -0.55 0.00 0.00 41.25 38.63 1ykt s ASN 24 CO 0.09 -0.88 1.80 0.00 -2.79 0.00 0.00 177.10 175.32 1ykt h ALA 25 N 8.64 1.06 -0.87 1.71 0.00 -1.82 0.71 119.26 128.68 1ykt h ALA 25 Ca -0.11 0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1ykt h ALA 25 Cb 1.07 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1ykt h ALA 25 CO 0.98 0.03 0.49 -0.22 0.00 0.00 0.00 179.25 180.52 1ykt h LYS 26 N 0.69 0.72 0.00 0.00 3.64 -1.95 -1.34 116.57 118.34 1ykt h LYS 26 Ca 0.37 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1ykt h LYS 26 Cb 0.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ykt h LYS 26 CO -0.25 0.48 -0.87 0.00 -2.27 0.00 0.00 179.45 176.54 1ykt n ALA 27 N -2.39 4.26 -2.71 5.00 0.00 -0.85 -4.98 120.51 118.85 1ykt n ALA 27 Ca 0.16 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1ykt n ALA 27 Cb 0.37 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1ykt n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykt n GLY 28 N 1.49 -0.16 3.41 0.00 0.00 0.24 -5.01 105.19 105.15 1ykt n GLY 28 Ca 0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1ykt n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ykt s LEU 29 N -4.68 0.38 -0.07 0.99 2.96 -0.94 -4.98 118.68 112.34 1ykt s LEU 29 Ca 0.18 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 1ykt s LEU 29 Cb -0.08 1.84 -0.04 0.00 0.50 0.00 0.00 46.19 48.41 1ykt s LEU 29 CO 0.22 -0.95 0.57 0.00 -1.32 0.00 0.00 176.35 174.88 1ykt s GLN 31 N 0.47 1.89 0.18 0.00 -0.21 -0.05 -4.92 119.66 117.02 1ykt s GLN 31 Ca 0.31 -2.14 0.04 0.00 0.02 0.00 0.00 55.36 53.59 1ykt s GLN 31 Cb -0.17 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.45 1ykt s GLN 31 CO 0.14 -0.54 0.23 0.95 -2.12 0.00 0.00 175.29 173.96 1ykt s THR 32 N -3.27 4.92 0.21 -0.19 -4.23 -1.26 -0.54 115.64 111.28 1ykt s THR 32 Ca 0.28 -0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.70 1ykt s THR 32 Cb 0.02 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1ykt s THR 32 CO 0.18 -0.16 0.46 0.72 -0.54 0.00 0.00 174.62 175.28 1ykt s PHE 33 N -1.82 0.19 -0.33 3.99 -0.71 -0.48 -4.92 117.98 113.89 1ykt s PHE 33 Ca 0.33 -0.55 -0.20 0.00 -1.04 0.00 0.00 56.93 55.47 1ykt s PHE 33 Cb -0.10 0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1ykt s PHE 33 CO 0.26 -0.92 0.59 0.08 -1.34 0.00 0.00 175.22 173.90 1ykt s VAL 34 N -3.96 4.95 -0.08 -2.49 1.01 -1.26 -1.85 120.40 116.73 1ykt s VAL 34 Ca 0.16 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 1ykt s VAL 34 Cb -0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1ykt s VAL 34 CO 0.03 -0.21 0.30 -0.47 0.00 0.00 0.00 175.10 174.75 1ykt s TYR 35 N 2.57 3.62 -0.01 5.22 5.04 0.10 -4.47 117.35 129.42 1ykt s TYR 35 Ca 0.23 0.75 0.31 0.00 -2.44 0.00 0.00 57.07 55.92 1ykt s TYR 35 Cb -0.15 -2.20 1.14 0.00 0.35 0.00 0.00 41.96 41.10 1ykt s TYR 35 CO 0.13 0.56 1.90 0.78 -1.34 0.00 0.00 175.55 177.59 1ykt h GLY 36 N 5.31 0.00 0.00 8.97 0.00 -0.55 -1.70 103.07 115.10 1ykt h GLY 36 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ykt h GLY 36 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1ykt n GLY 37 N 0.26 1.33 3.26 4.60 0.00 -1.26 -0.44 105.19 112.94 1ykt n GLY 37 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ykt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ykt n ARG 39 N -0.09 -4.93 -2.15 0.00 1.74 -1.26 -4.52 116.66 105.45 1ykt n ARG 39 Ca -0.16 0.60 -0.35 0.00 -0.77 0.00 0.00 57.85 57.18 1ykt n ARG 39 Cb 0.63 -5.19 0.01 0.00 -1.02 0.00 0.00 32.46 26.89 1ykt n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ykt s ALA 40 N -3.62 2.64 0.55 7.54 0.00 -1.26 -4.85 121.76 122.74 1ykt s ALA 40 Ca 0.12 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1ykt s ALA 40 Cb -0.06 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1ykt s ALA 40 CO 0.82 -0.91 0.75 0.15 0.00 0.00 0.00 175.76 176.57 1ykt s LYS 41 N -3.38 2.40 0.42 0.00 1.02 -1.26 -5.02 119.74 113.92 1ykt s LYS 41 Ca 0.73 -1.33 0.15 0.00 0.02 0.00 0.00 55.97 55.54 1ykt s LYS 41 Cb -0.25 -2.61 0.92 0.00 -0.52 0.00 0.00 37.83 35.37 1ykt s LYS 41 CO 0.30 -0.76 1.93 0.00 -0.92 0.00 0.00 175.35 175.90 1ykt h ARG 42 N 0.19 0.00 -3.23 1.68 3.08 -1.97 -3.26 114.38 110.88 1ykt h ARG 42 Ca -0.35 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.99 1ykt h ARG 42 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 1ykt h ARG 42 CO 0.43 0.26 3.05 -1.71 -1.07 0.00 0.00 179.97 180.93 1ykt n ASN 43 N -4.16 6.83 -3.53 7.04 5.15 -1.26 -4.71 115.26 120.62 1ykt n ASN 43 Ca -0.02 -2.86 -0.10 0.00 -0.60 0.00 0.00 54.58 51.00 1ykt n ASN 43 Cb 0.31 -1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 37.95 1ykt n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ykt s ASN 44 N 1.77 0.10 0.06 1.20 3.84 -1.23 -4.61 114.94 116.08 1ykt s ASN 44 Ca 0.56 0.57 0.06 0.00 0.21 0.00 0.00 52.86 54.26 1ykt s ASN 44 Cb 0.16 1.12 -0.03 0.00 -0.55 0.00 0.00 41.25 41.95 1ykt s ASN 44 CO -0.06 -0.26 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.46 1ykt s PHE 45 N 2.55 1.43 -1.49 0.43 0.40 0.18 -4.93 117.98 116.54 1ykt s PHE 45 Ca 0.05 -0.40 0.30 0.00 -0.60 0.00 0.00 56.93 56.28 1ykt s PHE 45 Cb -0.14 -0.82 1.44 0.00 0.51 0.00 0.00 43.02 44.01 1ykt s PHE 45 CO -0.13 0.09 2.00 1.63 0.70 0.00 0.00 175.22 179.50 1ykt n LYS 46 N 1.53 0.50 -3.61 0.44 5.02 -1.26 0.10 118.16 120.87 1ykt n LYS 46 Ca -0.19 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 55.89 1ykt n LYS 46 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 1ykt n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ykt s SER 47 N -2.55 -0.41 0.26 4.39 1.04 -1.26 -4.88 113.70 110.29 1ykt s SER 47 Ca 0.29 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 1ykt s SER 47 Cb 0.20 0.46 0.32 0.00 0.10 0.00 0.00 66.02 67.10 1ykt s SER 47 CO 0.47 -0.64 1.85 0.00 0.98 0.00 0.00 173.24 175.89 1ykt h ALA 48 N 3.06 1.20 -0.07 5.32 0.00 -1.97 -2.55 119.26 124.24 1ykt h ALA 48 Ca -0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ykt h ALA 48 Cb 1.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ykt h ALA 48 CO 0.41 0.59 0.05 1.05 0.00 0.00 0.00 179.25 181.35 1ykt h GLU 49 N 1.03 0.10 -0.61 0.00 9.09 -1.99 0.43 114.58 122.62 1ykt h GLU 49 Ca 0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.64 1ykt h GLU 49 Cb 0.15 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.20 1ykt h GLU 49 CO -0.03 0.07 0.34 -0.44 0.05 0.00 0.00 179.01 179.00 1ykt h ASP 50 N 0.09 0.75 -0.01 3.06 5.19 -1.95 -0.56 116.42 122.99 1ykt h ASP 50 Ca 0.03 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1ykt h ASP 50 Cb -0.00 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 1ykt h ASP 50 CO -0.01 0.61 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 1ykt h MET 52 N -0.26 1.13 -0.32 0.00 2.86 -0.64 0.53 114.93 118.22 1ykt h MET 52 Ca 0.00 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1ykt h MET 52 Cb 0.29 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1ykt h MET 52 CO 0.00 0.93 0.07 -0.09 1.06 0.00 0.00 176.91 178.89 1ykt h ARG 53 N 1.09 0.51 -0.03 1.72 2.43 -1.08 0.46 114.38 119.48 1ykt h ARG 53 Ca 0.25 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1ykt h ARG 53 Cb 0.25 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ykt h ARG 53 CO -0.02 0.58 -0.49 1.15 -1.51 0.00 0.00 179.97 179.69 1ykt h THR 54 N 0.35 1.43 -0.02 0.20 2.02 -1.22 -3.37 112.91 112.30 1ykt h THR 54 Ca 0.10 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1ykt h THR 54 Cb 0.31 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1ykt h THR 54 CO 0.00 0.57 -0.10 0.00 0.37 0.00 0.00 175.52 176.36