#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LYS 2 N 0.00 0.00 -2.98 3.17 5.02 -1.26 -4.91 118.16 117.20 3kno n LYS 2 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3kno n LYS 2 Cb 0.00 -0.61 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 3kno n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kno s ARG 3 N 3.47 2.86 0.11 1.97 1.81 -1.26 -5.07 118.95 122.84 3kno s ARG 3 Ca 0.54 -0.84 -0.24 0.00 -1.72 0.00 0.00 55.73 53.48 3kno s ARG 3 Cb -0.53 -2.63 -0.08 0.00 -0.45 0.00 0.00 34.95 31.26 3kno s ARG 3 CO 0.21 -0.34 1.68 0.00 -0.68 0.00 0.00 175.30 176.17 3kno h THR 4 N 0.44 0.69 -2.54 0.02 1.03 -2.10 -3.40 112.91 107.04 3kno h THR 4 Ca -0.44 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.41 3kno h THR 4 Cb 1.27 0.69 -0.09 0.00 -1.07 0.00 0.00 68.15 68.95 3kno h THR 4 CO 0.52 0.00 0.96 0.86 -0.01 0.00 0.00 175.52 177.85 3kno s TRP 5 N -6.15 2.40 -0.50 0.00 -0.11 -1.26 -4.95 118.94 108.37 3kno s TRP 5 Ca -0.14 -0.05 0.01 0.00 1.22 0.00 0.00 56.10 57.14 3kno s TRP 5 Cb 0.08 -4.55 0.13 0.00 -1.50 0.00 0.00 33.47 27.63 3kno s TRP 5 CO 0.66 -1.93 0.26 -0.65 -4.62 0.00 0.00 176.95 170.67 3kno s GLN 6 N 5.34 2.03 0.23 5.86 -1.52 -1.26 -5.09 119.66 125.26 3kno s GLN 6 Ca 0.34 -2.36 -0.29 0.00 -1.95 0.00 0.00 55.36 51.09 3kno s GLN 6 Cb -0.09 -3.43 -0.15 0.00 -0.22 0.00 0.00 33.01 29.11 3kno s GLN 6 CO 0.16 -1.09 0.93 -0.35 -0.25 0.00 0.00 175.29 174.69 3kno n PRO 7 N 3.60 0.93 -3.32 2.91 -0.04 -1.26 -5.04 135.00 132.78 3kno n PRO 7 Ca 0.05 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 3kno n PRO 7 Cb 0.37 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 3kno n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3kno s ASN 8 N -0.52 -0.95 0.11 3.54 3.04 -1.26 -5.08 114.94 113.81 3kno s ASN 8 Ca 0.64 0.89 -0.27 0.00 0.04 0.00 0.00 52.86 54.17 3kno s ASN 8 Cb -0.81 1.92 -0.10 0.00 -1.54 0.00 0.00 41.25 40.72 3kno s ASN 8 CO 0.57 -0.18 1.65 0.03 -3.04 0.00 0.00 177.10 176.14 3kno h ARG 9 N 7.88 -0.42 -0.72 0.43 3.08 -1.98 -1.93 114.38 120.73 3kno h ARG 9 Ca -0.18 0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.99 3kno h ARG 9 Cb 1.14 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 3kno h ARG 9 CO 0.11 -0.28 0.36 -0.09 -1.07 0.00 0.00 179.97 179.00 3kno h ARG 10 N -0.43 0.60 0.23 0.04 2.43 -1.98 -0.66 114.38 114.61 3kno h ARG 10 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kno h ARG 10 Cb 0.44 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3kno h ARG 10 CO -0.10 0.39 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.35 3kno h LYS 11 N 0.61 -0.39 -0.95 0.20 1.63 -1.92 -0.62 116.57 115.13 3kno h LYS 11 Ca 0.35 0.03 0.25 0.00 -0.85 0.00 0.00 60.65 60.44 3kno h LYS 11 Cb 0.37 0.09 -0.17 0.00 -0.60 0.00 0.00 32.23 31.92 3kno h LYS 11 CO -0.27 -0.26 0.03 -0.09 -3.45 0.00 0.00 179.45 175.41 3kno h ARG 12 N -0.41 0.03 0.19 1.90 2.43 -0.98 0.22 114.38 117.76 3kno h ARG 12 Ca -0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3kno h ARG 12 Cb 0.34 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3kno h ARG 12 CO 0.00 0.02 -0.09 0.00 -1.51 0.00 0.00 179.97 178.39 3kno h ALA 13 N 1.94 -0.25 0.00 2.80 0.00 -0.95 0.10 119.26 122.90 3kno h ALA 13 Ca 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3kno h ALA 13 Cb 1.14 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kno h ALA 13 CO -0.88 -0.46 -0.05 0.87 0.00 0.00 0.00 179.25 178.73 3kno h LYS 14 N -0.60 0.00 0.05 0.00 1.79 -0.05 0.32 116.57 118.08 3kno h LYS 14 Ca -0.03 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.08 3kno h LYS 14 Cb 0.44 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 3kno h LYS 14 CO 0.04 0.05 -2.11 2.41 -1.08 0.00 0.00 179.45 178.76 3kno n THR 15 N -3.88 1.62 -0.50 -0.16 -1.04 0.66 -4.57 114.28 106.41 3kno n THR 15 Ca -0.03 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.52 3kno n THR 15 Cb 0.14 -1.70 0.05 0.00 -1.82 0.00 0.00 70.33 67.00 3kno n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kno n HIS 16 N -3.66 0.00 -0.62 -1.42 8.25 0.34 -4.93 115.22 113.19 3kno n HIS 16 Ca -0.39 -0.67 -0.31 0.00 -0.26 0.00 0.00 57.72 56.10 3kno n HIS 16 Cb 0.95 -0.09 0.20 0.00 1.12 0.00 0.00 29.99 32.17 3kno n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kno n GLY 17 N -0.84 -1.51 0.10 -1.41 0.00 0.11 -4.33 105.19 97.32 3kno n GLY 17 Ca 0.06 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3kno n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kno h PHE 18 N -2.17 -0.13 -0.59 1.61 3.57 -1.94 -2.63 116.94 114.66 3kno h PHE 18 Ca -0.51 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.03 3kno h PHE 18 Cb 1.31 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 3kno h PHE 18 CO 0.35 0.26 0.39 0.00 -2.23 0.00 0.00 178.31 177.08 3kno h ARG 19 N -0.56 0.61 -0.94 1.11 3.08 -1.92 -0.82 114.38 114.94 3kno h ARG 19 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kno h ARG 19 Cb 0.45 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 3kno h ARG 19 CO 0.02 0.40 0.60 0.00 -1.07 0.00 0.00 179.97 179.93 3kno h ALA 20 N 1.67 1.20 -0.04 0.04 0.00 -1.81 -2.67 119.26 117.65 3kno h ALA 20 Ca 0.25 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3kno h ALA 20 Cb 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kno h ALA 20 CO -0.07 0.62 -0.47 0.00 0.00 0.00 0.00 179.25 179.33 3kno h ARG 21 N 1.29 0.09 0.00 0.00 2.47 -0.78 -3.17 114.38 114.27 3kno h ARG 21 Ca 0.34 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 3kno h ARG 21 Cb -0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 3kno h ARG 21 CO -0.07 0.54 0.00 -1.33 0.56 0.00 0.00 179.97 179.67 3kno n MET 22 N -3.98 0.27 -0.03 0.04 2.81 -1.01 -1.33 117.12 113.90 3kno n MET 22 Ca -0.02 0.08 -0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3kno n MET 22 Cb 0.50 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3kno n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kno h ARG 23 N 0.00 0.00 -6.80 0.03 3.08 -1.59 -3.47 114.38 105.63 3kno h ARG 23 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3kno h ARG 23 Cb 0.24 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.34 3kno h ARG 23 CO 0.00 0.00 0.60 -0.08 -1.07 0.00 0.00 179.97 179.42 3kno s THR 24 N -1.34 3.04 0.29 2.04 -1.32 -1.25 -4.93 115.64 112.17 3kno s THR 24 Ca -0.01 0.98 0.25 0.00 -1.21 0.00 0.00 61.69 61.70 3kno s THR 24 Cb 0.00 -3.63 0.25 0.00 -1.51 0.00 0.00 72.50 67.61 3kno s THR 24 CO 0.02 0.21 1.94 1.55 -2.21 0.00 0.00 174.62 176.12 3kno h PRO 25 N 4.08 0.00 0.04 7.08 0.13 -1.90 -0.47 132.00 140.96 3kno h PRO 25 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 3kno h PRO 25 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kno h PRO 25 CO 0.69 0.20 -1.02 0.78 -0.23 0.00 0.00 178.00 178.42 3kno h GLY 26 N 1.43 0.29 0.84 1.56 0.00 -1.91 -2.85 103.07 102.42 3kno h GLY 26 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3kno h GLY 26 CO 0.03 0.52 -0.15 -1.33 0.00 0.00 0.00 176.54 175.61 3kno h GLY 27 N 1.71 -0.42 -0.01 4.60 0.00 -1.28 -2.53 103.07 105.14 3kno h GLY 27 Ca -0.08 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.48 3kno h GLY 27 CO 0.16 -0.15 -0.30 3.21 0.00 0.00 0.00 176.54 179.46 3kno h ARG 28 N -0.57 -0.27 -0.47 4.80 3.08 0.00 0.38 114.38 121.33 3kno h ARG 28 Ca -0.04 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.16 3kno h ARG 28 Cb 0.42 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3kno h ARG 28 CO 0.07 -0.18 0.48 -0.22 -1.07 0.00 0.00 179.97 179.05 3kno h LYS 29 N -0.28 0.00 0.34 0.04 3.64 -1.41 0.28 116.57 119.18 3kno h LYS 29 Ca 0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3kno h LYS 29 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3kno h LYS 29 CO -0.46 0.00 -0.16 0.28 -2.27 0.00 0.00 179.45 176.84 3kno h VAL 30 N 0.00 0.49 0.05 2.00 2.07 0.20 -0.43 116.25 120.62 3kno h VAL 30 Ca 0.22 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kno h VAL 30 Cb 1.18 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3kno h VAL 30 CO -0.00 0.10 -0.18 -0.07 0.02 0.00 0.00 177.57 177.44 3kno h LEU 31 N -0.95 -0.54 -1.42 2.57 3.38 -0.57 0.29 115.31 118.07 3kno h LEU 31 Ca -0.05 0.06 0.45 0.00 0.09 0.00 0.00 57.88 58.43 3kno h LEU 31 Cb 0.52 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 3kno h LEU 31 CO 0.08 -0.19 0.98 1.17 0.09 0.00 0.00 178.44 180.56 3kno n LYS 32 N -3.47 -0.01 0.01 1.13 0.00 0.80 0.13 118.16 116.75 3kno n LYS 32 Ca -0.03 0.98 -0.03 0.00 0.00 0.00 0.00 58.31 59.24 3kno n LYS 32 Cb 0.14 -2.10 -0.10 0.00 0.00 0.00 0.00 35.03 32.97 3kno n LYS 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kno n ARG 33 N -3.99 0.63 0.18 1.64 1.74 -0.17 -3.60 116.66 113.08 3kno n ARG 33 Ca 0.36 0.23 0.05 0.00 -0.77 0.00 0.00 57.85 57.72 3kno n ARG 33 Cb 1.52 -1.79 0.30 0.00 -1.02 0.00 0.00 32.46 31.47 3kno n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kno h ARG 34 N 0.00 0.00 0.11 5.56 3.08 0.47 -3.22 114.38 120.37 3kno h ARG 34 Ca -0.21 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.59 3kno h ARG 34 Cb 1.72 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.80 3kno h ARG 34 CO 0.05 0.41 -1.03 0.00 -1.07 0.00 0.00 179.97 178.34 3kno h ARG 35 N 0.00 0.51 0.00 0.04 3.08 -1.46 -2.42 114.38 114.12 3kno h ARG 35 Ca -0.00 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.35 3kno h ARG 35 Cb 0.95 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3kno h ARG 35 CO 0.05 1.30 0.00 0.00 -1.07 0.00 0.00 179.97 180.25 3kno n GLN 36 N -3.95 0.15 0.00 0.04 10.64 -1.22 0.58 117.38 123.62 3kno n GLN 36 Ca -0.13 0.15 0.04 0.00 -1.83 0.00 0.00 57.00 55.23 3kno n GLN 36 Cb 0.89 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.80 3kno n GLN 36 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3kno n LYS 37 N -1.20 0.15 -3.26 2.61 4.81 -1.12 -5.05 118.16 115.11 3kno n LYS 37 Ca 0.04 -0.98 -0.10 0.00 -0.87 0.00 0.00 58.31 56.40 3kno n LYS 37 Cb 0.05 -1.15 0.02 0.00 0.02 0.00 0.00 35.03 33.97 3kno n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kno n GLY 38 N 0.46 -1.20 3.76 3.14 0.00 0.20 -4.99 105.19 106.55 3kno n GLY 38 Ca 0.05 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 3kno n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kno s ARG 39 N -3.91 4.20 0.00 1.61 1.81 -1.04 -4.90 118.95 116.72 3kno s ARG 39 Ca 0.17 0.40 0.05 0.00 -1.72 0.00 0.00 55.73 54.64 3kno s ARG 39 Cb -0.04 -3.36 0.24 0.00 -0.45 0.00 0.00 34.95 31.34 3kno s ARG 39 CO 0.78 0.34 1.15 0.91 -0.68 0.00 0.00 175.30 177.80 3kno n TRP 40 N 3.04 0.00 -3.82 -0.53 7.02 -1.26 -4.50 117.44 117.39 3kno n TRP 40 Ca -0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 3kno n TRP 40 Cb 0.52 -0.47 -0.13 0.00 -2.42 0.00 0.00 31.31 28.81 3kno n TRP 40 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3kno s ARG 41 N -2.93 0.14 -0.03 -0.99 0.52 -1.26 -4.99 118.95 109.41 3kno s ARG 41 Ca 0.03 0.19 0.12 0.00 -0.52 0.00 0.00 55.73 55.54 3kno s ARG 41 Cb 0.04 0.04 -0.18 0.00 0.52 0.00 0.00 34.95 35.37 3kno s ARG 41 CO 0.09 -0.03 0.23 1.28 0.02 0.00 0.00 175.30 176.90 3kno n LEU 42 N 3.13 0.00 -4.01 2.53 4.77 -1.26 -4.97 117.00 117.18 3kno n LEU 42 Ca -0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.69 3kno n LEU 42 Cb 0.58 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 3kno n LEU 42 CO 0.22 0.03 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.01 3kno s THR 43 N -2.76 0.51 -0.03 -5.08 2.01 -1.26 -4.89 115.64 104.15 3kno s THR 43 Ca -0.04 -0.64 -0.33 0.00 0.31 0.00 0.00 61.69 60.99 3kno s THR 43 Cb 0.07 -0.50 -0.11 0.00 0.01 0.00 0.00 72.50 71.97 3kno s THR 43 CO 0.49 -0.10 1.91 -2.65 -0.69 0.00 0.00 174.62 173.57 3kno n PRO 44 N 2.25 2.45 -1.89 4.92 -0.02 -1.26 -4.88 135.00 136.57 3kno n PRO 44 Ca -0.17 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3kno n PRO 44 Cb 0.56 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3kno n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno s ALA 45 N 4.11 3.72 -0.29 3.55 0.00 -1.26 -4.97 121.76 126.62 3kno s ALA 45 Ca 0.91 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.99 3kno s ALA 45 Cb -0.59 -3.70 0.11 0.00 0.00 0.00 0.00 23.12 18.95 3kno s ALA 45 CO 0.47 -1.07 0.82 0.08 0.00 0.00 0.00 175.76 176.05 3kno s VAL 46 N 2.41 -0.10 0.15 0.00 1.01 -1.26 -5.16 120.40 117.45 3kno s VAL 46 Ca 0.75 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.73 3kno s VAL 46 Cb -0.42 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kno s VAL 46 CO 0.33 0.00 0.07 -2.11 0.00 0.00 0.00 175.10 173.39 3kno n ARG 47 N 4.19 1.40 -2.99 2.72 -4.01 -1.26 -5.09 116.66 111.62 3kno n ARG 47 Ca -0.18 -0.99 -0.13 0.00 -1.04 0.00 0.00 57.85 55.50 3kno n ARG 47 Cb 0.57 0.16 -0.02 0.00 -3.04 0.00 0.00 32.46 30.14 3kno n ARG 47 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3kno n LYS 48 N -0.69 1.39 0.00 2.89 4.76 -1.26 -5.08 118.16 120.18 3kno n LYS 48 Ca -0.02 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 3kno n LYS 48 Cb 0.18 0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 3kno n LYS 48 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90