#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LYS 2 N 0.00 0.00 -1.62 0.03 5.02 -1.23 -4.07 118.16 116.29 2wrl n LYS 2 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2wrl n LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2wrl n LYS 2 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wrl n VAL 3 N 0.00 2.12 0.00 -0.18 0.31 -1.26 -3.65 118.33 115.67 2wrl n VAL 3 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wrl n VAL 3 Cb 0.00 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2wrl n VAL 3 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2wrl n ARG 4 N 0.51 -1.24 -0.01 5.55 1.85 -1.15 -4.93 116.66 117.25 2wrl n ARG 4 Ca 0.08 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.04 2wrl n ARG 4 Cb 0.35 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.61 2wrl n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wrl n ALA 5 N -0.17 3.36 -3.76 2.89 0.00 -1.21 0.56 120.51 122.19 2wrl n ALA 5 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.61 2wrl n ALA 5 Cb 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 2wrl n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrl s SER 6 N -4.10 3.78 -0.24 0.00 0.15 -1.26 -4.94 113.70 107.10 2wrl s SER 6 Ca -0.03 -2.86 -0.16 0.00 0.70 0.00 0.00 55.95 53.60 2wrl s SER 6 Cb 0.15 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 2wrl s SER 6 CO 0.90 -0.23 0.40 -0.69 1.20 0.00 0.00 173.24 174.81 2wrl s VAL 7 N 0.01 5.17 0.20 4.45 1.01 -1.26 -5.06 120.40 124.92 2wrl s VAL 7 Ca 0.19 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2wrl s VAL 7 Cb -0.21 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2wrl s VAL 7 CO -0.03 0.19 0.15 0.29 0.00 0.00 0.00 175.10 175.71 2wrl n LYS 8 N 4.98 0.32 -2.94 2.72 5.02 -1.26 -5.10 118.16 121.90 2wrl n LYS 8 Ca -0.08 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 53.83 2wrl n LYS 8 Cb 0.51 1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 36.99 2wrl n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wrl s ARG 9 N -2.81 3.80 0.00 1.97 0.52 -1.26 -4.92 118.95 116.24 2wrl s ARG 9 Ca 0.22 0.38 0.20 0.00 -0.52 0.00 0.00 55.73 56.01 2wrl s ARG 9 Cb 0.01 -3.79 0.53 0.00 0.52 0.00 0.00 34.95 32.22 2wrl s ARG 9 CO 0.15 -0.83 1.44 -0.89 0.02 0.00 0.00 175.30 175.20 2wrl n ILE 10 N 5.76 0.51 0.00 1.52 5.41 -1.26 -4.89 119.36 126.41 2wrl n ILE 10 Ca 0.03 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.15 2wrl n ILE 10 Cb 0.48 0.60 0.00 0.00 -0.71 0.00 0.00 39.64 40.01 2wrl n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrl n ASP 12 N 0.00 0.09 0.00 0.00 5.75 -1.26 0.94 116.55 122.07 2wrl n ASP 12 Ca 0.00 0.52 0.04 0.00 -0.01 0.00 0.00 54.79 55.34 2wrl n ASP 12 Cb 0.00 -0.24 0.25 0.00 -1.03 0.00 0.00 41.12 40.10 2wrl n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wrl n LYS 13 N -3.77 0.26 -2.82 0.11 5.02 -1.26 -4.70 118.16 111.00 2wrl n LYS 13 Ca 0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 2wrl n LYS 13 Cb 0.38 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 2wrl n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrl s LYS 15 N -2.99 0.63 -0.86 0.00 1.02 0.26 -4.97 119.74 112.83 2wrl s LYS 15 Ca 0.60 -0.02 -0.25 0.00 0.02 0.00 0.00 55.97 56.32 2wrl s LYS 15 Cb -0.11 -0.74 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2wrl s LYS 15 CO 0.15 -0.13 1.34 0.08 -0.92 0.00 0.00 175.35 175.87 2wrl s VAL 16 N 1.09 3.86 0.55 3.17 1.01 -1.26 -1.49 120.40 127.34 2wrl s VAL 16 Ca -0.08 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2wrl s VAL 16 Cb -0.14 -4.97 0.03 0.00 0.00 0.00 0.00 36.38 31.31 2wrl s VAL 16 CO -0.01 -1.87 0.78 -0.63 0.00 0.00 0.00 175.10 173.37 2wrl s ILE 17 N 5.26 2.76 -0.24 2.22 -1.09 0.13 -4.94 121.20 125.29 2wrl s ILE 17 Ca 0.39 -0.62 0.18 0.00 -2.23 0.00 0.00 60.65 58.37 2wrl s ILE 17 Cb -0.05 -3.04 0.43 0.00 -1.58 0.00 0.00 42.46 38.22 2wrl s ILE 17 CO 0.03 -0.03 1.26 -1.14 -1.23 0.00 0.00 174.94 173.84 2wrl n ARG 18 N -2.35 1.30 -2.06 2.79 0.63 -1.26 -1.09 116.66 114.61 2wrl n ARG 18 Ca 0.07 -2.36 -0.42 0.00 -0.92 0.00 0.00 57.85 54.22 2wrl n ARG 18 Cb 0.60 -0.57 -0.03 0.00 0.45 0.00 0.00 32.46 32.90 2wrl n ARG 18 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2wrl s ARG 19 N -1.76 4.26 -0.47 -0.14 1.70 -1.24 -3.50 118.95 117.80 2wrl s ARG 19 Ca 0.19 2.19 -0.01 0.00 -0.47 0.00 0.00 55.73 57.64 2wrl s ARG 19 Cb 0.35 -3.33 -0.01 0.00 -0.57 0.00 0.00 34.95 31.39 2wrl s ARG 19 CO -0.08 -0.56 0.40 0.72 -1.08 0.00 0.00 175.30 174.70 2wrl n HIS 20 N 4.45 -0.93 -0.37 5.89 8.25 -1.26 -3.62 115.22 127.63 2wrl n HIS 20 Ca 0.13 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2wrl n HIS 20 Cb 0.41 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.28 2wrl n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 21 N -1.15 0.00 3.40 -1.41 0.00 -1.23 -4.88 105.19 99.92 2wrl n GLY 21 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2wrl n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 22 N -0.73 3.55 -0.35 1.61 0.52 -1.24 -5.07 118.95 117.24 2wrl s ARG 22 Ca 0.00 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 2wrl s ARG 22 Cb 0.00 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.34 2wrl s ARG 22 CO 0.00 -0.12 1.44 0.08 0.02 0.00 0.00 175.30 176.72 2wrl s VAL 23 N 1.34 3.91 0.33 3.52 1.01 -1.26 -3.70 120.40 125.54 2wrl s VAL 23 Ca 0.04 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.06 2wrl s VAL 23 Cb -0.15 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2wrl s VAL 23 CO 0.01 -0.60 0.36 -0.31 0.00 0.00 0.00 175.10 174.56 2wrl s TYR 24 N 5.24 3.02 -0.20 5.22 1.51 -0.25 -1.57 117.35 130.32 2wrl s TYR 24 Ca 0.63 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2wrl s TYR 24 Cb -0.16 -1.85 0.10 0.00 -0.11 0.00 0.00 41.96 39.94 2wrl s TYR 24 CO 0.30 0.13 0.27 0.08 -1.11 0.00 0.00 175.55 175.22 2wrl s VAL 25 N -2.23 -0.41 0.18 0.71 1.01 -1.26 -0.69 120.40 117.70 2wrl s VAL 25 Ca 0.42 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2wrl s VAL 25 Cb -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2wrl s VAL 25 CO 0.28 -0.14 0.07 -0.63 0.00 0.00 0.00 175.10 174.69 2wrl s ILE 26 N 2.40 4.06 0.06 2.22 1.01 -0.55 -0.63 121.20 129.76 2wrl s ILE 26 Ca 0.08 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 2wrl s ILE 26 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2wrl s ILE 26 CO -0.13 -0.15 0.09 0.00 0.00 0.00 0.00 174.94 174.75 2wrl h GLU 28 N 0.00 0.18 -5.11 0.00 4.81 -1.98 -3.43 114.58 109.05 2wrl h GLU 28 Ca -0.04 -0.30 -0.68 0.00 -0.13 0.00 0.00 59.36 58.21 2wrl h GLU 28 Cb 0.18 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 29.50 2wrl h GLU 28 CO 0.06 1.06 -0.03 0.54 -0.73 0.00 0.00 179.01 179.90 2wrl s ASN 29 N -6.88 6.25 0.00 1.04 6.03 -1.26 -4.92 114.94 115.21 2wrl s ASN 29 Ca -0.05 -0.56 0.00 0.00 -1.03 0.00 0.00 52.86 51.22 2wrl s ASN 29 Cb 0.08 -2.27 0.00 0.00 -3.03 0.00 0.00 41.25 36.02 2wrl s ASN 29 CO 0.85 -0.70 0.56 -0.81 -2.03 0.00 0.00 177.10 174.97 2wrl n PRO 30 N 5.95 0.00 -0.03 3.55 -0.04 -1.26 -0.49 135.00 142.68 2wrl n PRO 30 Ca -0.05 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2wrl n PRO 30 Cb 0.47 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 2wrl n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wrl h LYS 31 N 0.00 0.22 0.00 0.54 1.57 -1.96 -3.21 116.57 113.74 2wrl h LYS 31 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2wrl h LYS 31 Cb 0.54 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wrl h LYS 31 CO 0.00 0.91 0.00 0.45 -0.57 0.00 0.00 179.45 180.24 2wrl h HIS 32 N -0.39 0.00 -1.05 -1.35 3.86 -1.16 -3.19 115.15 111.87 2wrl h HIS 32 Ca -0.03 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.62 2wrl h HIS 32 Cb 0.99 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 2wrl h HIS 32 CO 0.16 0.00 1.58 1.17 0.86 0.00 0.00 177.93 181.70 2wrl n LYS 33 N -2.36 0.85 0.00 2.45 4.81 -1.21 -4.68 118.16 118.01 2wrl n LYS 33 Ca -0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2wrl n LYS 33 Cb 0.10 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.54 2wrl n LYS 33 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2wrl n GLN 34 N 8.57 2.68 0.00 1.64 6.02 0.20 -3.55 117.38 132.94 2wrl n GLN 34 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2wrl n GLN 34 Cb 0.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.56 2wrl n GLN 34 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2wrl n ARG 35 N 0.00 0.00 -2.79 -1.09 0.63 -1.24 -4.53 116.66 107.63 2wrl n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 2wrl n ARG 35 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2wrl n ARG 35 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wrl s GLN 36 N -4.04 4.68 0.00 -0.14 0.74 -0.61 -2.92 119.66 117.37 2wrl s GLN 36 Ca 0.00 1.36 0.00 0.00 0.05 0.00 0.00 55.36 56.77 2wrl s GLN 36 Cb 0.00 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.10 2wrl s GLN 36 CO 0.00 0.39 0.00 0.41 -0.55 0.00 0.00 175.29 175.54