#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s LYS 2 N 0.00 4.10 0.69 0.03 1.02 -1.26 -5.00 119.74 119.32 3knk s LYS 2 Ca 0.00 2.05 0.03 0.00 0.02 0.00 0.00 55.97 58.06 3knk s LYS 2 Cb 0.00 -3.98 0.12 0.00 -0.52 0.00 0.00 37.83 33.45 3knk s LYS 2 CO 0.00 -0.93 0.94 1.03 -0.92 0.00 0.00 175.35 175.47 3knk s ARG 3 N 4.14 1.81 0.03 1.68 1.81 -1.26 -5.04 118.95 122.12 3knk s ARG 3 Ca 0.72 -1.33 -0.25 0.00 -1.72 0.00 0.00 55.73 53.15 3knk s ARG 3 Cb -0.31 -2.43 -0.18 0.00 -0.45 0.00 0.00 34.95 31.59 3knk s ARG 3 CO 0.28 -1.32 1.47 0.00 -0.68 0.00 0.00 175.30 175.06 3knk h THR 4 N -0.34 1.12 -2.36 0.02 1.03 -2.09 -3.41 112.91 106.87 3knk h THR 4 Ca -0.33 -0.58 -0.53 0.00 -0.01 0.00 0.00 66.41 64.96 3knk h THR 4 Cb 1.27 1.50 -0.05 0.00 -1.07 0.00 0.00 68.15 69.80 3knk h THR 4 CO 0.39 0.15 1.21 0.86 -0.01 0.00 0.00 175.52 178.11 3knk s TRP 5 N -5.15 2.00 -0.60 0.00 -0.11 -1.26 -4.91 118.94 108.90 3knk s TRP 5 Ca -0.15 0.49 0.06 0.00 1.22 0.00 0.00 56.10 57.73 3knk s TRP 5 Cb 0.04 -4.30 0.22 0.00 -1.50 0.00 0.00 33.47 27.92 3knk s TRP 5 CO 0.65 -2.20 0.60 1.04 -4.62 0.00 0.00 176.95 172.43 3knk n GLN 6 N 9.02 1.83 -1.05 5.86 1.13 -1.26 -5.11 117.38 127.80 3knk n GLN 6 Ca 0.14 -4.25 -0.36 0.00 -1.94 0.00 0.00 57.00 50.59 3knk n GLN 6 Cb 0.50 -2.04 0.05 0.00 0.11 0.00 0.00 30.24 28.86 3knk n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3knk n PRO 7 N 1.43 -0.00 -3.64 -1.09 -0.04 -1.26 -5.04 135.00 125.35 3knk n PRO 7 Ca 0.26 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.70 3knk n PRO 7 Cb 0.42 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 3knk n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3knk s ASN 8 N -1.25 -0.51 0.25 3.54 3.04 -1.26 -5.08 114.94 113.67 3knk s ASN 8 Ca 0.50 0.84 0.06 0.00 0.04 0.00 0.00 52.86 54.30 3knk s ASN 8 Cb -0.27 1.16 0.30 0.00 -1.54 0.00 0.00 41.25 40.90 3knk s ASN 8 CO 0.73 -0.13 1.59 0.03 -3.04 0.00 0.00 177.10 176.28 3knk h ARG 9 N 5.85 0.19 0.06 0.43 3.08 -2.00 -3.03 114.38 118.96 3knk h ARG 9 Ca -0.28 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 3knk h ARG 9 Cb 1.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3knk h ARG 9 CO 0.18 0.72 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.68 3knk h ARG 10 N 0.15 -0.08 -0.33 0.04 2.43 -1.98 -2.79 114.38 111.81 3knk h ARG 10 Ca -0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3knk h ARG 10 Cb 1.06 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3knk h ARG 10 CO 0.09 0.48 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.61 3knk h LYS 11 N -0.92 -0.00 -0.62 0.20 1.63 -2.00 0.18 116.57 115.04 3knk h LYS 11 Ca -0.01 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.92 3knk h LYS 11 Cb 0.59 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.11 3knk h LYS 11 CO 0.01 -0.00 -0.06 -0.09 -3.45 0.00 0.00 179.45 175.86 3knk h ARG 12 N -0.00 0.06 0.00 1.90 2.43 -1.67 -2.28 114.38 114.82 3knk h ARG 12 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3knk h ARG 12 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3knk h ARG 12 CO -0.31 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.19 3knk n ALA 13 N -2.90 0.00 -0.33 2.80 0.00 0.51 -1.78 120.51 118.81 3knk n ALA 13 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3knk n ALA 13 Cb 0.35 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3knk n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 14 N -0.45 0.00 0.00 0.00 4.76 -0.53 0.85 118.16 122.78 3knk n LYS 14 Ca 0.00 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3knk n LYS 14 Cb 0.00 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 3knk n LYS 14 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3knk n THR 15 N -1.13 0.00 -0.58 -0.18 -1.04 -0.87 -2.65 114.28 107.83 3knk n THR 15 Ca 0.00 0.61 -0.16 0.00 -2.04 0.00 0.00 64.05 62.46 3knk n THR 15 Cb 0.00 -1.03 0.07 0.00 -1.82 0.00 0.00 70.33 67.55 3knk n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3knk n HIS 16 N -0.41 1.72 -2.84 -1.42 8.25 -0.74 -4.49 115.22 115.29 3knk n HIS 16 Ca 0.00 -1.66 -0.22 0.00 -0.26 0.00 0.00 57.72 55.57 3knk n HIS 16 Cb 0.00 -0.82 0.02 0.00 1.12 0.00 0.00 29.99 30.31 3knk n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3knk s GLY 17 N -0.17 1.68 0.00 -1.41 0.00 0.25 -4.07 107.32 103.60 3knk s GLY 17 Ca 0.33 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 3knk s GLY 17 CO 0.03 -0.95 1.01 -2.75 0.00 0.00 0.00 173.10 170.44 3knk h PHE 18 N 0.26 -0.04 -0.83 1.90 3.57 -1.88 -2.65 116.94 117.28 3knk h PHE 18 Ca -0.44 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.21 3knk h PHE 18 Cb 1.27 0.01 -0.15 0.00 2.79 0.00 0.00 35.95 39.87 3knk h PHE 18 CO 0.42 -0.02 -0.24 -2.13 -2.23 0.00 0.00 178.31 174.11 3knk n ARG 19 N -2.38 -0.11 -0.16 1.11 0.63 -1.26 0.53 116.66 115.02 3knk n ARG 19 Ca -0.00 1.28 -0.03 0.00 -0.92 0.00 0.00 57.85 58.18 3knk n ARG 19 Cb 0.01 -1.91 0.18 0.00 0.45 0.00 0.00 32.46 31.19 3knk n ARG 19 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk h ALA 20 N 1.50 1.22 0.00 5.13 0.00 -1.69 -0.90 119.26 124.52 3knk h ALA 20 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3knk h ALA 20 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3knk h ALA 20 CO -0.84 0.55 0.00 0.54 0.00 0.00 0.00 179.25 179.50 3knk n ARG 21 N -4.29 0.01 -0.02 0.00 5.12 0.19 -2.96 116.66 114.71 3knk n ARG 21 Ca 0.05 0.38 -0.15 0.00 -1.93 0.00 0.00 57.85 56.20 3knk n ARG 21 Cb 0.20 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.86 3knk n ARG 21 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3knk n MET 22 N -1.48 0.69 -0.24 5.56 2.81 -0.34 -0.07 117.12 124.05 3knk n MET 22 Ca 0.02 0.25 -0.08 0.00 -1.81 0.00 0.00 57.70 56.07 3knk n MET 22 Cb 0.07 -1.72 0.04 0.00 -0.71 0.00 0.00 33.22 30.90 3knk n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3knk h ARG 23 N 0.03 1.11 -5.95 0.03 3.08 -1.54 -3.42 114.38 107.72 3knk h ARG 23 Ca -0.39 -0.29 -0.56 0.00 0.07 0.00 0.00 59.98 58.81 3knk h ARG 23 Cb 2.03 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.89 3knk h ARG 23 CO 0.07 1.01 0.03 -0.08 -1.07 0.00 0.00 179.97 179.92 3knk s THR 24 N -5.23 5.09 0.57 2.04 -1.32 -1.26 -4.91 115.64 110.62 3knk s THR 24 Ca -0.12 1.31 0.30 0.00 -1.21 0.00 0.00 61.69 61.97 3knk s THR 24 Cb 0.14 -3.98 0.35 0.00 -1.51 0.00 0.00 72.50 67.51 3knk s THR 24 CO 0.85 0.27 2.24 -0.65 -2.21 0.00 0.00 174.62 175.12 3knk h PRO 25 N 6.76 0.00 -0.20 7.08 0.11 -1.91 1.25 132.00 145.09 3knk h PRO 25 Ca -0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 3knk h PRO 25 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3knk h PRO 25 CO 0.75 0.01 -0.18 0.78 -0.21 0.00 0.00 178.00 179.16 3knk h GLY 26 N 0.10 0.52 0.74 -0.55 0.00 -1.92 -2.68 103.07 99.28 3knk h GLY 26 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 3knk h GLY 26 CO 0.00 0.47 -0.14 -1.33 0.00 0.00 0.00 176.54 175.54 3knk h GLY 27 N 0.16 0.38 -0.32 4.60 0.00 -0.20 -3.25 103.07 104.44 3knk h GLY 27 Ca 0.04 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3knk h GLY 27 CO 0.05 0.35 -0.36 3.21 0.00 0.00 0.00 176.54 179.78 3knk h ARG 28 N -0.03 -0.21 -1.71 4.80 3.08 0.49 0.02 114.38 120.83 3knk h ARG 28 Ca 0.02 0.01 0.52 0.00 0.07 0.00 0.00 59.98 60.60 3knk h ARG 28 Cb 0.67 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.67 3knk h ARG 28 CO 0.03 -0.14 1.20 1.17 -1.07 0.00 0.00 179.97 181.16 3knk n LYS 29 N -4.43 -0.01 0.30 0.04 4.81 -1.01 0.21 118.16 118.06 3knk n LYS 29 Ca -0.02 1.07 -0.16 0.00 -0.87 0.00 0.00 58.31 58.34 3knk n LYS 29 Cb 0.21 -2.36 -0.08 0.00 0.02 0.00 0.00 35.03 32.82 3knk n LYS 29 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3knk h VAL 30 N 0.00 0.40 -0.99 3.15 2.07 -1.02 -1.97 116.25 117.88 3knk h VAL 30 Ca 0.88 -0.23 0.22 0.00 0.82 0.00 0.00 66.70 68.39 3knk h VAL 30 Cb 3.32 0.49 -0.19 0.00 -1.52 0.00 0.00 31.29 33.38 3knk h VAL 30 CO -0.14 0.03 -0.16 0.18 0.02 0.00 0.00 177.57 177.51 3knk n LEU 31 N -5.35 -0.27 0.00 2.57 4.77 0.57 -0.90 117.00 118.38 3knk n LEU 31 Ca -0.12 1.70 0.00 0.00 -0.03 0.00 0.00 56.01 57.56 3knk n LEU 31 Cb 0.33 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3knk n LEU 31 CO 0.34 -1.66 0.43 1.17 -1.33 0.00 0.00 177.39 176.34 3knk n LYS 32 N -5.58 0.00 -0.24 3.23 4.81 -1.01 -0.61 118.16 118.76 3knk n LYS 32 Ca 0.19 0.55 -0.06 0.00 -0.87 0.00 0.00 58.31 58.12 3knk n LYS 32 Cb 0.59 -1.37 -0.06 0.00 0.02 0.00 0.00 35.03 34.22 3knk n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knk n ARG 33 N -1.92 -0.25 -0.25 1.64 1.74 -0.08 -0.10 116.66 117.44 3knk n ARG 33 Ca 0.00 1.17 0.14 0.00 -0.77 0.00 0.00 57.85 58.39 3knk n ARG 33 Cb 0.00 -1.73 0.43 0.00 -1.02 0.00 0.00 32.46 30.14 3knk n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knk h ARG 34 N 0.00 0.56 0.00 5.56 3.08 -1.21 0.31 114.38 122.68 3knk h ARG 34 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3knk h ARG 34 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3knk h ARG 34 CO -0.53 0.37 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.59 3knk h ARG 35 N 0.58 0.00 0.00 0.04 2.43 0.19 0.45 114.38 118.07 3knk h ARG 35 Ca 0.44 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.45 3knk h ARG 35 Cb 0.86 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3knk h ARG 35 CO -0.19 0.06 -1.77 0.94 -1.51 0.00 0.00 179.97 177.49 3knk n GLN 36 N -3.12 0.65 0.02 0.20 7.27 0.11 -4.12 117.38 118.39 3knk n GLN 36 Ca 0.03 0.05 -0.01 0.00 0.07 0.00 0.00 57.00 57.14 3knk n GLN 36 Cb 0.53 -1.67 -0.01 0.00 2.41 0.00 0.00 30.24 31.51 3knk n GLN 36 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3knk h LYS 37 N 0.00 -0.09 0.00 3.69 3.64 -0.45 -3.50 116.57 119.86 3knk h LYS 37 Ca -0.21 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3knk h LYS 37 Cb 1.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3knk h LYS 37 CO 0.03 -0.06 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 3knk n GLY 38 N 1.43 0.53 3.59 5.01 0.00 0.15 -5.07 105.19 110.82 3knk n GLY 38 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3knk n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 39 N 0.00 -0.47 0.10 1.61 1.81 -0.59 -4.92 118.95 116.49 3knk s ARG 39 Ca 0.00 0.47 0.23 0.00 -1.72 0.00 0.00 55.73 54.71 3knk s ARG 39 Cb 0.00 -1.64 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 3knk s ARG 39 CO 0.00 -3.33 0.94 0.91 -0.68 0.00 0.00 175.30 173.14 3knk n TRP 40 N -4.59 0.53 -3.49 -0.53 8.01 -1.26 -4.77 117.44 111.34 3knk n TRP 40 Ca 0.06 0.16 -0.21 0.00 -1.31 0.00 0.00 57.50 56.19 3knk n TRP 40 Cb 0.57 -0.69 -0.13 0.00 -2.01 0.00 0.00 31.31 29.05 3knk n TRP 40 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3knk s ARG 41 N -3.33 0.21 0.00 -0.99 0.52 -1.26 -4.99 118.95 109.11 3knk s ARG 41 Ca -0.00 -0.10 0.06 0.00 -0.52 0.00 0.00 55.73 55.17 3knk s ARG 41 Cb 0.12 -1.13 0.37 0.00 0.52 0.00 0.00 34.95 34.84 3knk s ARG 41 CO 0.81 -0.84 0.85 1.28 0.02 0.00 0.00 175.30 177.42 3knk n LEU 42 N 5.30 0.00 -3.79 2.53 4.77 -1.26 -4.61 117.00 119.94 3knk n LEU 42 Ca -0.05 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3knk n LEU 42 Cb 0.47 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3knk n LEU 42 CO 0.05 -0.01 -0.07 -0.89 -1.33 0.00 0.00 177.39 175.14 3knk s THR 43 N -2.03 0.02 0.07 -5.08 2.01 -1.26 -4.92 115.64 104.45 3knk s THR 43 Ca 0.09 -0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 3knk s THR 43 Cb 0.04 -0.43 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 3knk s THR 43 CO 0.07 -0.10 1.57 -2.84 -0.69 0.00 0.00 174.62 172.64 3knk s PRO 44 N -0.34 4.23 0.20 4.92 0.02 -1.26 -4.96 135.00 137.81 3knk s PRO 44 Ca -0.05 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.15 3knk s PRO 44 Cb -0.03 -3.51 -0.06 0.00 0.02 0.00 0.00 34.50 30.91 3knk s PRO 44 CO 0.01 -0.67 0.48 0.00 -0.33 0.00 0.00 177.00 176.50 3knk s ALA 45 N 2.29 3.67 -0.28 -1.55 0.00 -1.26 -4.89 121.76 119.74 3knk s ALA 45 Ca 0.71 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.05 3knk s ALA 45 Cb -0.38 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.55 3knk s ALA 45 CO 0.31 0.54 0.78 0.08 0.00 0.00 0.00 175.76 177.47 3knk s VAL 46 N -1.79 0.00 0.25 0.00 1.01 -1.26 -5.14 120.40 113.46 3knk s VAL 46 Ca 0.44 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.50 3knk s VAL 46 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3knk s VAL 46 CO 0.24 0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.43 3knk s ARG 47 N 1.27 2.63 0.27 2.72 1.04 -1.26 -5.07 118.95 120.54 3knk s ARG 47 Ca -0.07 -1.20 0.12 0.00 -1.04 0.00 0.00 55.73 53.54 3knk s ARG 47 Cb -0.05 -2.39 -0.05 0.00 -2.04 0.00 0.00 34.95 30.42 3knk s ARG 47 CO -0.14 0.39 -0.20 0.15 -0.04 0.00 0.00 175.30 175.46 3knk s LYS 48 N -3.67 1.64 0.00 3.89 -0.14 -1.26 -5.13 119.74 115.07 3knk s LYS 48 Ca 0.32 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.20 3knk s LYS 48 Cb -0.07 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 3knk s LYS 48 CO 0.22 0.33 0.00 -2.13 -0.76 0.00 0.00 175.35 173.01