#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n LYS 2 N 0.00 0.00 -1.88 0.03 5.02 -1.26 -4.87 118.16 115.20 2wdj n LYS 2 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2wdj n LYS 2 Cb 0.00 -0.86 0.09 0.00 -0.02 0.00 0.00 35.03 34.24 2wdj n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdj s ARG 3 N 5.17 1.97 0.19 1.97 1.81 -1.26 -5.01 118.95 123.80 2wdj s ARG 3 Ca 0.79 0.14 -0.12 0.00 -1.72 0.00 0.00 55.73 54.82 2wdj s ARG 3 Cb -0.72 -1.95 0.15 0.00 -0.45 0.00 0.00 34.95 31.98 2wdj s ARG 3 CO 0.29 -1.59 1.84 0.00 -0.68 0.00 0.00 175.30 175.15 2wdj h THR 4 N -1.06 1.09 -3.57 0.02 1.03 -2.11 -3.41 112.91 104.91 2wdj h THR 4 Ca -0.46 -0.27 -0.63 0.00 -0.01 0.00 0.00 66.41 65.04 2wdj h THR 4 Cb 1.33 0.25 -0.14 0.00 -1.07 0.00 0.00 68.15 68.51 2wdj h THR 4 CO 0.66 0.14 0.10 0.86 -0.01 0.00 0.00 175.52 177.27 2wdj s TRP 5 N -6.13 3.16 -0.50 0.00 -0.11 -1.26 -4.99 118.94 109.11 2wdj s TRP 5 Ca -0.13 0.30 0.03 0.00 1.22 0.00 0.00 56.10 57.52 2wdj s TRP 5 Cb 0.14 -3.10 0.14 0.00 -1.50 0.00 0.00 33.47 29.16 2wdj s TRP 5 CO 0.76 -0.61 0.29 -0.65 -4.62 0.00 0.00 176.95 172.12 2wdj s GLN 6 N 2.64 1.62 -0.06 5.86 -1.52 -1.26 -5.10 119.66 121.84 2wdj s GLN 6 Ca 0.23 -2.39 -0.39 0.00 -1.95 0.00 0.00 55.36 50.87 2wdj s GLN 6 Cb -0.15 -2.67 -0.17 0.00 -0.22 0.00 0.00 33.01 29.80 2wdj s GLN 6 CO 0.15 -1.19 1.43 -0.35 -0.25 0.00 0.00 175.29 175.07 2wdj n PRO 7 N 3.12 0.92 -3.56 2.91 -0.04 -1.26 -5.00 135.00 132.09 2wdj n PRO 7 Ca 0.11 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.69 2wdj n PRO 7 Cb 0.35 -1.96 -0.15 0.00 -0.04 0.00 0.00 33.50 31.70 2wdj n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wdj s ASN 8 N 1.39 1.79 0.14 3.54 3.04 -1.26 -5.05 114.94 118.53 2wdj s ASN 8 Ca 0.90 -0.37 -0.19 0.00 0.04 0.00 0.00 52.86 53.25 2wdj s ASN 8 Cb -1.06 0.08 0.01 0.00 -1.54 0.00 0.00 41.25 38.74 2wdj s ASN 8 CO 0.55 -0.33 1.70 0.03 -3.04 0.00 0.00 177.10 176.01 2wdj h ARG 9 N 8.37 0.02 -0.62 0.43 3.08 -1.99 -1.11 114.38 122.57 2wdj h ARG 9 Ca -0.16 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2wdj h ARG 9 Cb 1.15 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2wdj h ARG 9 CO 0.28 0.02 0.30 -0.09 -1.07 0.00 0.00 179.97 179.40 2wdj h ARG 10 N 0.02 0.88 -0.61 0.04 2.43 -1.99 -1.66 114.38 113.49 2wdj h ARG 10 Ca 0.13 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wdj h ARG 10 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2wdj h ARG 10 CO -0.25 0.71 0.40 -0.22 -1.51 0.00 0.00 179.97 179.09 2wdj h LYS 11 N 0.84 0.78 -0.71 0.20 1.63 -1.91 -0.55 116.57 116.85 2wdj h LYS 11 Ca 0.21 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 2wdj h LYS 11 Cb 0.11 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 2wdj h LYS 11 CO -0.03 0.52 0.33 -0.09 -3.45 0.00 0.00 179.45 176.72 2wdj h ARG 12 N 0.80 1.04 -0.01 1.90 2.43 -0.80 -0.51 114.38 119.24 2wdj h ARG 12 Ca 0.23 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wdj h ARG 12 Cb -0.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2wdj h ARG 12 CO -0.07 0.83 -0.00 0.00 -1.51 0.00 0.00 179.97 179.22 2wdj h ALA 13 N 1.16 0.01 0.00 2.80 0.00 -1.00 -1.01 119.26 121.22 2wdj h ALA 13 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2wdj h ALA 13 Cb 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wdj h ALA 13 CO -0.03 -0.32 -0.08 0.87 0.00 0.00 0.00 179.25 179.70 2wdj h LYS 14 N -0.32 0.00 0.00 0.00 1.57 -0.98 0.52 116.57 117.36 2wdj h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdj h LYS 14 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2wdj h LYS 14 CO 0.00 0.08 -0.58 2.41 -0.57 0.00 0.00 179.45 180.79 2wdj n THR 15 N -3.37 1.38 -0.59 -0.16 -1.04 -0.21 -4.59 114.28 105.68 2wdj n THR 15 Ca -0.01 0.22 0.10 0.00 -2.04 0.00 0.00 64.05 62.31 2wdj n THR 15 Cb 0.24 -2.35 0.35 0.00 -1.82 0.00 0.00 70.33 66.75 2wdj n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdj n HIS 16 N -4.50 1.40 -0.44 -1.42 8.25 -0.39 -4.72 115.22 113.40 2wdj n HIS 16 Ca -0.08 -0.60 -0.28 0.00 -0.26 0.00 0.00 57.72 56.49 2wdj n HIS 16 Cb 0.30 -0.21 0.27 0.00 1.12 0.00 0.00 29.99 31.47 2wdj n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wdj s GLY 17 N -0.95 1.51 -0.02 -1.41 0.00 0.17 -4.30 107.32 102.32 2wdj s GLY 17 Ca 0.50 -0.27 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 2wdj s GLY 17 CO 0.25 0.53 1.15 -2.75 0.00 0.00 0.00 173.10 172.29 2wdj h PHE 18 N -2.91 -0.17 -0.43 1.90 3.57 -1.96 -0.93 116.94 116.01 2wdj h PHE 18 Ca -0.60 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 60.94 2wdj h PHE 18 Cb 1.34 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2wdj h PHE 18 CO -0.43 0.26 0.18 0.00 -2.23 0.00 0.00 178.31 176.09 2wdj h ARG 19 N -0.66 0.36 -0.15 1.11 3.08 -1.93 -0.73 114.38 115.45 2wdj h ARG 19 Ca -0.02 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.05 2wdj h ARG 19 Cb 0.50 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2wdj h ARG 19 CO 0.03 0.24 -0.15 0.00 -1.07 0.00 0.00 179.97 179.02 2wdj h ALA 20 N 1.25 -0.04 -0.09 0.04 0.00 -1.85 -0.30 119.26 118.27 2wdj h ALA 20 Ca 0.19 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2wdj h ALA 20 Cb 0.14 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wdj h ALA 20 CO -0.17 -0.59 0.08 0.00 0.00 0.00 0.00 179.25 178.58 2wdj h ARG 21 N -0.17 0.00 0.06 0.00 2.47 -0.59 -2.91 114.38 113.23 2wdj h ARG 21 Ca 0.10 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.56 2wdj h ARG 21 Cb 0.32 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2wdj h ARG 21 CO -0.25 0.00 -1.07 0.52 0.56 0.00 0.00 179.97 179.72 2wdj h MET 22 N 0.00 0.63 0.01 0.04 2.86 0.43 -0.41 114.93 118.48 2wdj h MET 22 Ca 0.04 -0.75 0.03 0.00 -2.06 0.00 0.00 59.70 56.96 2wdj h MET 22 Cb 0.21 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2wdj h MET 22 CO -0.00 1.33 -0.24 0.00 1.06 0.00 0.00 176.91 179.06 2wdj h ARG 23 N 0.26 -0.36 -6.47 1.72 3.08 -1.20 -3.41 114.38 108.00 2wdj h ARG 23 Ca -0.15 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.39 2wdj h ARG 23 Cb 1.75 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 2wdj h ARG 23 CO 0.21 -0.24 0.37 -0.08 -1.07 0.00 0.00 179.97 179.16 2wdj s THR 24 N -6.08 4.71 0.55 2.04 -1.32 -1.25 -4.94 115.64 109.34 2wdj s THR 24 Ca -0.15 2.05 0.25 0.00 -1.21 0.00 0.00 61.69 62.63 2wdj s THR 24 Cb 0.09 -4.31 0.37 0.00 -1.51 0.00 0.00 72.50 67.14 2wdj s THR 24 CO 0.66 0.22 2.03 1.55 -2.21 0.00 0.00 174.62 176.87 2wdj h PRO 25 N 6.33 0.00 -0.42 7.08 0.13 -1.88 0.25 132.00 143.49 2wdj h PRO 25 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2wdj h PRO 25 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2wdj h PRO 25 CO 0.74 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 179.22 2wdj h GLY 26 N 0.00 0.85 0.93 1.56 0.00 -1.92 -2.32 103.07 102.17 2wdj h GLY 26 Ca 0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2wdj h GLY 26 CO -0.00 0.62 0.08 -1.33 0.00 0.00 0.00 176.54 175.90 2wdj h GLY 27 N 0.61 0.68 0.85 4.60 0.00 -0.68 -2.12 103.07 107.01 2wdj h GLY 27 Ca 0.11 -0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.10 2wdj h GLY 27 CO 0.03 0.41 0.49 3.21 0.00 0.00 0.00 176.54 180.68 2wdj h ARG 28 N 0.48 0.58 -0.42 4.80 3.08 0.50 0.36 114.38 123.76 2wdj h ARG 28 Ca 0.12 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2wdj h ARG 28 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2wdj h ARG 28 CO 0.00 0.38 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.81 2wdj h LYS 29 N 0.60 0.87 0.59 0.04 3.64 -0.93 -0.99 116.57 120.39 2wdj h LYS 29 Ca 0.35 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2wdj h LYS 29 Cb 0.54 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2wdj h LYS 29 CO -0.12 1.02 -0.43 0.28 -2.27 0.00 0.00 179.45 177.93 2wdj h VAL 30 N 0.75 0.14 -1.01 2.00 2.07 0.29 0.28 116.25 120.76 2wdj h VAL 30 Ca 0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.85 2wdj h VAL 30 Cb 0.80 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2wdj h VAL 30 CO 0.07 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.21 2wdj h LEU 31 N -0.98 0.62 0.93 2.57 3.38 -1.16 -0.17 115.31 120.50 2wdj h LEU 31 Ca -0.07 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2wdj h LEU 31 Cb 0.82 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2wdj h LEU 31 CO 0.03 0.13 -0.45 0.50 0.09 0.00 0.00 178.44 178.74 2wdj h LYS 32 N 0.56 -1.20 -0.53 1.13 3.64 0.31 -1.69 116.57 118.78 2wdj h LYS 32 Ca 0.61 0.08 0.09 0.00 -1.27 0.00 0.00 60.65 60.17 2wdj h LYS 32 Cb 1.25 0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 33.27 2wdj h LYS 32 CO -0.40 -0.80 0.12 0.00 -2.27 0.00 0.00 179.45 176.10 2wdj h ARG 33 N -1.32 0.25 0.41 1.90 3.08 0.31 -1.13 114.38 117.88 2wdj h ARG 33 Ca -0.13 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2wdj h ARG 33 Cb 0.96 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2wdj h ARG 33 CO 0.21 0.17 -0.20 0.00 -1.07 0.00 0.00 179.97 179.08 2wdj h ARG 34 N 0.26 -0.53 -0.90 0.04 3.08 -1.08 -0.59 114.38 114.65 2wdj h ARG 34 Ca 0.27 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.53 2wdj h ARG 34 Cb 0.37 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 2wdj h ARG 34 CO -0.34 -0.30 0.48 -0.09 -1.07 0.00 0.00 179.97 178.64 2wdj h ARG 35 N -0.65 0.60 0.00 0.04 2.43 -1.12 0.17 114.38 115.86 2wdj h ARG 35 Ca -0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2wdj h ARG 35 Cb 0.48 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2wdj h ARG 35 CO 0.09 0.40 -0.14 0.37 -1.51 0.00 0.00 179.97 179.18 2wdj h GLN 36 N 0.62 0.00 0.00 0.20 4.15 -0.94 -3.09 115.11 116.05 2wdj h GLN 36 Ca 0.51 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.69 2wdj h GLN 36 Cb 0.80 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 2wdj h GLN 36 CO -0.40 0.14 -1.35 -0.22 -1.93 0.00 0.00 178.83 175.08 2wdj h LYS 37 N 0.00 0.00 0.00 1.69 3.64 0.61 -3.49 116.57 119.02 2wdj h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wdj h LYS 37 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2wdj h LYS 37 CO 0.02 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.27 2wdj n GLY 38 N 1.44 1.35 3.54 5.01 0.00 -0.39 -5.09 105.19 111.06 2wdj n GLY 38 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2wdj n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 39 N -0.65 1.00 0.07 1.61 5.12 -1.09 -4.86 116.66 117.86 2wdj n ARG 39 Ca 0.00 0.36 -0.05 0.00 -1.93 0.00 0.00 57.85 56.23 2wdj n ARG 39 Cb 0.00 -1.77 -0.09 0.00 -1.16 0.00 0.00 32.46 29.44 2wdj n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 2wdj h TRP 40 N 1.30 0.00 -3.77 -1.55 4.06 -1.98 -3.42 115.95 110.59 2wdj h TRP 40 Ca -0.41 0.00 -0.67 0.00 2.06 0.00 0.00 58.89 59.86 2wdj h TRP 40 Cb 1.37 0.00 -0.36 0.00 -1.00 0.00 0.00 29.16 29.16 2wdj h TRP 40 CO 0.41 0.86 -0.79 1.03 -3.56 0.00 0.00 178.44 176.39 2wdj s ARG 41 N -2.77 2.35 0.21 0.49 0.52 -1.26 -4.97 118.95 113.53 2wdj s ARG 41 Ca 0.01 -1.28 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2wdj s ARG 41 Cb 0.09 -2.91 0.18 0.00 0.52 0.00 0.00 34.95 32.84 2wdj s ARG 41 CO 0.80 -0.54 1.53 -0.07 0.02 0.00 0.00 175.30 177.04 2wdj h LEU 42 N 7.83 0.44 -8.87 2.53 3.38 -1.97 -3.45 115.31 115.20 2wdj h LEU 42 Ca -0.22 -0.24 -0.51 0.00 0.09 0.00 0.00 57.88 56.99 2wdj h LEU 42 Cb 1.05 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.51 2wdj h LEU 42 CO 0.49 0.93 -0.77 -0.89 0.09 0.00 0.00 178.44 178.28 2wdj s THR 43 N -3.87 1.86 -0.33 0.22 2.01 -1.26 -4.90 115.64 109.37 2wdj s THR 43 Ca -0.06 -2.01 -0.32 0.00 0.31 0.00 0.00 61.69 59.61 2wdj s THR 43 Cb 0.12 -1.92 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 2wdj s THR 43 CO 0.82 -0.38 2.24 -2.65 -0.69 0.00 0.00 174.62 173.96 2wdj n PRO 44 N 0.09 1.38 -1.95 4.92 -0.02 -1.26 -4.85 135.00 133.31 2wdj n PRO 44 Ca -0.11 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2wdj n PRO 44 Cb 0.58 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 2wdj n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdj s ALA 45 N 8.18 3.66 -0.20 3.55 0.00 -1.26 -4.96 121.76 130.73 2wdj s ALA 45 Ca 1.06 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 54.05 2wdj s ALA 45 Cb -0.61 -3.70 0.07 0.00 0.00 0.00 0.00 23.12 18.87 2wdj s ALA 45 CO 0.42 -1.16 0.49 0.08 0.00 0.00 0.00 175.76 175.59 2wdj s VAL 46 N 2.94 -0.04 0.07 0.00 1.01 -1.26 -5.17 120.40 117.95 2wdj s VAL 46 Ca 0.74 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2wdj s VAL 46 Cb -0.38 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2wdj s VAL 46 CO 0.32 0.03 0.12 0.00 0.00 0.00 0.00 175.10 175.56 2wdj s ARG 47 N 1.51 3.06 0.09 2.72 1.04 -1.26 -5.08 118.95 121.03 2wdj s ARG 47 Ca -0.09 -0.60 0.00 0.00 -1.04 0.00 0.00 55.73 53.99 2wdj s ARG 47 Cb -0.08 -2.83 -0.00 0.00 -2.04 0.00 0.00 34.95 30.00 2wdj s ARG 47 CO -0.15 0.58 0.01 1.63 -0.04 0.00 0.00 175.30 177.33 2wdj n LYS 48 N 0.44 1.55 0.00 3.89 4.76 -1.26 -5.10 118.16 122.44 2wdj n LYS 48 Ca -0.08 -0.68 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 2wdj n LYS 48 Cb 0.51 0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 2wdj n LYS 48 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90