#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n LYS 2 N 0.00 1.01 -3.99 0.03 4.01 -1.26 -4.94 118.16 113.02 2wdl n LYS 2 Ca 0.00 0.37 -0.26 0.00 -0.51 0.00 0.00 58.31 57.91 2wdl n LYS 2 Cb 0.00 -2.02 -0.04 0.00 -0.51 0.00 0.00 35.03 32.46 2wdl n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2wdl s ARG 3 N 2.77 3.27 0.57 1.97 1.81 -1.26 -5.00 118.95 123.08 2wdl s ARG 3 Ca 0.96 -0.71 0.33 0.00 -1.72 0.00 0.00 55.73 54.59 2wdl s ARG 3 Cb -1.09 -2.85 1.42 0.00 -0.45 0.00 0.00 34.95 31.97 2wdl s ARG 3 CO 0.63 0.50 1.73 1.79 -0.68 0.00 0.00 175.30 179.27 2wdl h THR 4 N 1.71 0.30 -3.36 0.02 1.35 -2.10 -3.37 112.91 107.46 2wdl h THR 4 Ca -0.48 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.64 2wdl h THR 4 Cb 1.20 0.39 -0.23 0.00 -1.73 0.00 0.00 68.15 67.78 2wdl h THR 4 CO 0.66 0.00 -0.37 0.86 -0.25 0.00 0.00 175.52 176.42 2wdl s TRP 5 N -4.73 3.26 -0.64 4.73 -0.11 -1.26 -4.99 118.94 115.19 2wdl s TRP 5 Ca -0.04 -0.96 0.04 0.00 1.22 0.00 0.00 56.10 56.36 2wdl s TRP 5 Cb 0.19 -3.04 0.16 0.00 -1.50 0.00 0.00 33.47 29.28 2wdl s TRP 5 CO 0.66 -0.77 0.42 -0.65 -4.62 0.00 0.00 176.95 171.99 2wdl s GLN 6 N 1.62 2.32 0.10 5.86 -1.52 -1.26 -5.09 119.66 121.69 2wdl s GLN 6 Ca 0.04 -3.05 -0.35 0.00 -1.95 0.00 0.00 55.36 50.05 2wdl s GLN 6 Cb -0.23 -3.42 -0.18 0.00 -0.22 0.00 0.00 33.01 28.96 2wdl s GLN 6 CO 0.07 -1.22 0.90 -0.35 -0.25 0.00 0.00 175.29 174.44 2wdl n PRO 7 N 2.45 0.22 -3.29 2.91 -0.04 -1.26 -5.01 135.00 130.98 2wdl n PRO 7 Ca 0.14 0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.67 2wdl n PRO 7 Cb 0.34 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 2wdl n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wdl s ASN 8 N -0.34 -0.89 0.15 3.54 3.04 -1.26 -5.07 114.94 114.11 2wdl s ASN 8 Ca 0.78 0.81 -0.19 0.00 0.04 0.00 0.00 52.86 54.31 2wdl s ASN 8 Cb -1.08 1.87 0.03 0.00 -1.54 0.00 0.00 41.25 40.54 2wdl s ASN 8 CO 0.56 -0.26 1.69 0.03 -3.04 0.00 0.00 177.10 176.07 2wdl h ARG 9 N 8.06 -0.01 0.17 0.43 3.08 -1.99 -1.50 114.38 122.61 2wdl h ARG 9 Ca -0.21 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.85 2wdl h ARG 9 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2wdl h ARG 9 CO 0.24 -0.01 -0.28 -0.09 -1.07 0.00 0.00 179.97 178.76 2wdl h ARG 10 N -0.01 -0.51 -0.24 0.04 2.43 -2.00 -2.28 114.38 111.81 2wdl h ARG 10 Ca 0.14 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2wdl h ARG 10 Cb 0.22 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 2wdl h ARG 10 CO -0.30 -0.34 -0.21 -0.22 -1.51 0.00 0.00 179.97 177.40 2wdl h LYS 11 N -0.53 -0.20 -0.96 0.20 1.63 -1.94 0.30 116.57 115.07 2wdl h LYS 11 Ca 0.02 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 60.03 2wdl h LYS 11 Cb 0.53 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 32.10 2wdl h LYS 11 CO -0.13 -0.13 0.55 -0.09 -3.45 0.00 0.00 179.45 176.19 2wdl h ARG 12 N -0.21 0.65 0.15 1.90 2.43 -1.07 0.14 114.38 118.37 2wdl h ARG 12 Ca 0.14 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.98 2wdl h ARG 12 Cb 0.41 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2wdl h ARG 12 CO -0.36 0.43 -1.41 0.00 -1.51 0.00 0.00 179.97 177.12 2wdl h ALA 13 N 1.65 0.10 -0.19 2.80 0.00 -0.70 -0.82 119.26 122.10 2wdl h ALA 13 Ca 0.57 -1.02 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2wdl h ALA 13 Cb 0.92 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2wdl h ALA 13 CO -0.41 0.79 0.19 -0.22 0.00 0.00 0.00 179.25 179.60 2wdl h LYS 14 N -0.18 0.00 0.00 0.00 1.63 0.02 0.51 116.57 118.56 2wdl h LYS 14 Ca -0.29 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.31 2wdl h LYS 14 Cb 1.86 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.46 2wdl h LYS 14 CO 0.12 0.00 -1.48 2.41 -3.45 0.00 0.00 179.45 177.05 2wdl n THR 15 N -3.95 1.50 -1.15 1.00 -1.04 0.45 -4.59 114.28 106.50 2wdl n THR 15 Ca 0.02 -0.06 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 2wdl n THR 15 Cb 0.31 -2.13 0.24 0.00 -1.82 0.00 0.00 70.33 66.93 2wdl n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdl n HIS 16 N -4.41 1.14 -0.71 -1.42 8.25 -0.31 -4.84 115.22 112.91 2wdl n HIS 16 Ca -0.30 -1.16 -0.29 0.00 -0.26 0.00 0.00 57.72 55.71 2wdl n HIS 16 Cb 0.63 -0.41 0.25 0.00 1.12 0.00 0.00 29.99 31.57 2wdl n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wdl s GLY 17 N -2.07 1.52 -0.09 -1.41 0.00 0.18 -4.24 107.32 101.22 2wdl s GLY 17 Ca 0.44 -0.44 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 2wdl s GLY 17 CO 0.06 0.35 0.97 -2.75 0.00 0.00 0.00 173.10 171.73 2wdl h PHE 18 N -2.66 -0.01 -0.94 1.90 3.57 -1.95 -2.24 116.94 114.61 2wdl h PHE 18 Ca -0.55 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.05 2wdl h PHE 18 Cb 1.33 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.00 2wdl h PHE 18 CO -0.70 0.74 0.60 0.00 -2.23 0.00 0.00 178.31 176.72 2wdl h ARG 19 N -0.78 0.90 -0.48 1.11 3.08 -1.92 -0.89 114.38 115.40 2wdl h ARG 19 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wdl h ARG 19 Cb 0.75 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2wdl h ARG 19 CO 0.00 0.60 0.29 0.00 -1.07 0.00 0.00 179.97 179.79 2wdl h ALA 20 N 1.54 0.61 -0.46 0.04 0.00 -1.84 -2.55 119.26 116.60 2wdl h ALA 20 Ca 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2wdl h ALA 20 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wdl h ALA 20 CO -0.21 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.41 2wdl h ARG 21 N 0.64 0.62 -0.66 0.00 2.47 -0.57 -3.00 114.38 113.89 2wdl h ARG 21 Ca 0.17 -0.05 0.09 0.00 -1.26 0.00 0.00 59.98 58.92 2wdl h ARG 21 Cb -0.02 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 2wdl h ARG 21 CO -0.03 0.45 0.44 0.52 0.56 0.00 0.00 179.97 181.91 2wdl h MET 22 N 0.61 0.54 -0.53 0.04 2.86 -0.90 -2.61 114.93 114.94 2wdl h MET 22 Ca 0.17 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2wdl h MET 22 Cb -0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2wdl h MET 22 CO -0.03 0.36 0.10 0.00 1.06 0.00 0.00 176.91 178.39 2wdl h ARG 23 N 0.56 0.87 -5.77 1.72 3.08 -1.34 -3.44 114.38 110.06 2wdl h ARG 23 Ca 0.30 -0.23 -0.58 0.00 0.07 0.00 0.00 59.98 59.54 2wdl h ARG 23 Cb 0.44 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 2wdl h ARG 23 CO -0.10 0.84 0.02 -0.08 -1.07 0.00 0.00 179.97 179.59 2wdl s THR 24 N -5.23 5.08 0.59 2.04 -1.32 -1.15 -4.93 115.64 110.73 2wdl s THR 24 Ca -0.13 1.17 0.29 0.00 -1.21 0.00 0.00 61.69 61.81 2wdl s THR 24 Cb 0.12 -3.92 0.37 0.00 -1.51 0.00 0.00 72.50 67.56 2wdl s THR 24 CO 0.81 0.22 1.95 1.55 -2.21 0.00 0.00 174.62 176.94 2wdl h PRO 25 N 7.07 0.00 -0.08 7.08 0.13 -1.84 0.43 132.00 144.79 2wdl h PRO 25 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 2wdl h PRO 25 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2wdl h PRO 25 CO 0.76 0.00 -0.47 0.78 -0.23 0.00 0.00 178.00 178.84 2wdl h GLY 26 N 0.00 0.50 1.84 1.56 0.00 -1.91 -2.82 103.07 102.23 2wdl h GLY 26 Ca 0.18 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 2wdl h GLY 26 CO -0.00 0.65 -0.38 -1.33 0.00 0.00 0.00 176.54 175.47 2wdl h GLY 27 N 0.01 0.20 0.95 4.60 0.00 -0.74 -1.85 103.07 106.23 2wdl h GLY 27 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.13 2wdl h GLY 27 CO 0.10 0.16 0.51 3.21 0.00 0.00 0.00 176.54 180.52 2wdl h ARG 28 N 0.15 0.99 0.00 4.80 3.08 0.07 -0.36 114.38 123.11 2wdl h ARG 28 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wdl h ARG 28 Cb 0.75 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2wdl h ARG 28 CO 0.06 0.66 0.00 -0.22 -1.07 0.00 0.00 179.97 179.39 2wdl h LYS 29 N 1.02 0.00 0.24 0.04 3.64 -1.10 -0.94 116.57 119.47 2wdl h LYS 29 Ca 0.30 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2wdl h LYS 29 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2wdl h LYS 29 CO -0.08 0.00 -0.12 0.28 -2.27 0.00 0.00 179.45 177.26 2wdl h VAL 30 N 0.00 0.56 -0.74 2.00 2.07 -0.31 -1.84 116.25 117.99 2wdl h VAL 30 Ca 0.00 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.63 2wdl h VAL 30 Cb 0.48 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2wdl h VAL 30 CO 0.00 0.14 0.49 -0.07 0.02 0.00 0.00 177.57 178.15 2wdl h LEU 31 N -0.94 0.75 0.44 2.57 3.38 -1.31 0.46 115.31 120.66 2wdl h LEU 31 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wdl h LEU 31 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2wdl h LEU 31 CO 0.05 0.51 -0.47 0.50 0.09 0.00 0.00 178.44 179.12 2wdl h LYS 32 N 0.87 -0.89 -0.39 1.13 3.64 -1.16 -1.15 116.57 118.61 2wdl h LYS 32 Ca 0.30 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.80 2wdl h LYS 32 Cb 0.11 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2wdl h LYS 32 CO -0.09 -0.59 0.10 0.00 -2.27 0.00 0.00 179.45 176.60 2wdl h ARG 33 N -0.93 0.23 0.49 1.90 3.08 -0.50 -1.92 114.38 116.74 2wdl h ARG 33 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2wdl h ARG 33 Cb 0.82 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2wdl h ARG 33 CO -0.09 0.16 -0.42 0.00 -1.07 0.00 0.00 179.97 178.55 2wdl h ARG 34 N 0.24 -0.88 -0.53 0.04 3.08 -0.74 0.13 114.38 115.72 2wdl h ARG 34 Ca 0.18 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.40 2wdl h ARG 34 Cb 0.20 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.34 2wdl h ARG 34 CO -0.22 -0.59 -0.16 0.00 -1.07 0.00 0.00 179.97 177.94 2wdl h ARG 35 N -0.91 -0.03 -0.04 0.04 3.08 -1.15 -1.26 114.38 114.10 2wdl h ARG 35 Ca -0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2wdl h ARG 35 Cb 0.79 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2wdl h ARG 35 CO -0.02 -0.02 -0.09 0.37 -1.07 0.00 0.00 179.97 179.13 2wdl h GLN 36 N -0.03 -0.08 -0.62 0.04 -0.00 -0.66 -2.83 115.11 110.93 2wdl h GLN 36 Ca 0.25 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.99 2wdl h GLN 36 Cb 0.42 0.02 -0.11 0.00 0.00 0.00 0.00 27.48 27.81 2wdl h GLN 36 CO -0.56 -0.05 -0.47 -0.22 0.00 0.00 0.00 178.83 177.52 2wdl h LYS 37 N -0.08 -0.21 0.00 1.69 3.64 -0.22 -3.46 116.57 117.93 2wdl h LYS 37 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wdl h LYS 37 Cb 0.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wdl h LYS 37 CO -0.08 -0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.37 2wdl n GLY 38 N -1.39 -0.83 3.02 5.01 0.00 -0.53 -5.11 105.19 105.36 2wdl n GLY 38 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2wdl n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl n ARG 39 N 0.00 0.00 0.12 1.61 5.12 -1.14 -4.85 116.66 117.52 2wdl n ARG 39 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 2wdl n ARG 39 Cb 0.00 -0.96 0.01 0.00 -1.16 0.00 0.00 32.46 30.34 2wdl n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 2wdl h TRP 40 N 1.20 0.00 -3.34 -1.55 4.06 -1.99 -3.43 115.95 110.91 2wdl h TRP 40 Ca -0.28 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.02 2wdl h TRP 40 Cb 1.27 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 29.10 2wdl h TRP 40 CO 0.39 0.52 -0.87 0.50 -3.56 0.00 0.00 178.44 175.43 2wdl s ARG 41 N -2.95 2.79 -0.17 0.49 3.52 -1.26 -5.00 118.95 116.36 2wdl s ARG 41 Ca 0.03 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.78 2wdl s ARG 41 Cb 0.08 -2.15 -0.22 0.00 -1.56 0.00 0.00 34.95 31.10 2wdl s ARG 41 CO 0.76 0.12 0.16 1.28 -0.81 0.00 0.00 175.30 176.81 2wdl n LEU 42 N 3.65 2.62 -4.78 -0.88 4.77 -1.26 -4.90 117.00 116.23 2wdl n LEU 42 Ca -0.20 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 2wdl n LEU 42 Cb 0.53 -1.04 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2wdl n LEU 42 CO 0.27 0.81 -0.25 -0.89 -1.33 0.00 0.00 177.39 176.00 2wdl s THR 43 N -2.53 4.71 -0.06 -5.08 2.01 -1.26 -4.92 115.64 108.50 2wdl s THR 43 Ca -0.27 -0.43 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 2wdl s THR 43 Cb 0.08 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 2wdl s THR 43 CO 0.69 0.34 2.02 -2.65 -0.69 0.00 0.00 174.62 174.34 2wdl n PRO 44 N 1.16 2.45 -2.38 4.92 -0.02 -1.26 -4.87 135.00 135.00 2wdl n PRO 44 Ca -0.13 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 2wdl n PRO 44 Cb 0.53 -2.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.01 2wdl n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdl s ALA 45 N 5.38 3.19 0.18 3.55 0.00 -1.26 -4.96 121.76 127.84 2wdl s ALA 45 Ca 0.93 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 2wdl s ALA 45 Cb -0.48 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.35 2wdl s ALA 45 CO 0.43 -0.39 0.69 0.08 0.00 0.00 0.00 175.76 176.57 2wdl s VAL 46 N -1.43 0.00 0.04 0.00 1.01 -1.26 -5.17 120.40 113.59 2wdl s VAL 46 Ca 0.55 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2wdl s VAL 46 Cb -0.29 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2wdl s VAL 46 CO 0.37 0.00 0.13 0.00 0.00 0.00 0.00 175.10 175.60 2wdl s ARG 47 N -3.72 0.63 0.44 2.72 1.04 -1.26 -5.17 118.95 113.63 2wdl s ARG 47 Ca 0.05 -0.73 0.07 0.00 -1.04 0.00 0.00 55.73 54.08 2wdl s ARG 47 Cb -0.03 0.25 -0.03 0.00 -2.04 0.00 0.00 34.95 33.10 2wdl s ARG 47 CO -0.05 -0.17 0.22 0.15 -0.04 0.00 0.00 175.30 175.41 2wdl s LYS 48 N -2.66 2.25 0.00 3.89 -0.14 -1.26 -5.11 119.74 116.71 2wdl s LYS 48 Ca -0.04 -1.89 0.00 0.00 -1.36 0.00 0.00 55.97 52.67 2wdl s LYS 48 Cb -0.01 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.15 2wdl s LYS 48 CO -0.05 -0.22 0.00 -2.13 -0.76 0.00 0.00 175.35 172.20