#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s LYS 2 N 0.00 1.80 1.08 0.03 1.02 -1.26 -4.94 119.74 117.47 3knm s LYS 2 Ca 0.00 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.43 3knm s LYS 2 Cb 0.00 -5.02 0.19 0.00 -0.52 0.00 0.00 37.83 32.48 3knm s LYS 2 CO 0.00 -4.59 0.36 0.54 -0.92 0.00 0.00 175.35 170.74 3knm n ARG 3 N 8.44 -2.52 0.08 1.68 5.12 -1.26 -4.97 116.66 123.23 3knm n ARG 3 Ca 0.43 -0.74 -0.16 0.00 -1.93 0.00 0.00 57.85 55.45 3knm n ARG 3 Cb 0.46 -1.55 -0.09 0.00 -1.16 0.00 0.00 32.46 30.12 3knm n ARG 3 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3knm h THR 4 N -2.74 1.41 -2.95 0.55 1.35 -2.10 -3.43 112.91 105.01 3knm h THR 4 Ca -0.30 -2.62 -0.56 0.00 -0.55 0.00 0.00 66.41 62.38 3knm h THR 4 Cb 0.90 2.62 -0.09 0.00 -1.73 0.00 0.00 68.15 69.86 3knm h THR 4 CO 0.19 0.78 0.92 0.86 -0.25 0.00 0.00 175.52 178.02 3knm s TRP 5 N -3.04 2.55 -0.78 4.73 -0.00 -1.26 -4.94 118.94 116.20 3knm s TRP 5 Ca -0.06 0.18 0.02 0.00 -0.00 0.00 0.00 56.10 56.24 3knm s TRP 5 Cb 0.08 -4.47 0.19 0.00 -0.00 0.00 0.00 33.47 29.26 3knm s TRP 5 CO 0.88 -1.69 0.61 -0.65 -0.00 0.00 0.00 176.95 176.10 3knm s GLN 6 N 4.98 2.79 0.05 5.86 -1.52 -1.26 -5.07 119.66 125.50 3knm s GLN 6 Ca 0.38 -3.31 -0.38 0.00 -1.95 0.00 0.00 55.36 50.10 3knm s GLN 6 Cb -0.09 -3.64 -0.18 0.00 -0.22 0.00 0.00 33.01 28.87 3knm s GLN 6 CO 0.21 -1.27 1.16 -0.35 -0.25 0.00 0.00 175.29 174.78 3knm n PRO 7 N 2.14 0.51 -3.71 2.91 -0.04 -1.26 -4.99 135.00 130.55 3knm n PRO 7 Ca 0.20 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 3knm n PRO 7 Cb 0.36 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 3knm n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3knm s ASN 8 N 0.14 -0.41 -0.03 3.54 2.47 -1.26 -5.08 114.94 114.31 3knm s ASN 8 Ca 0.86 0.74 -0.22 0.00 0.42 0.00 0.00 52.86 54.66 3knm s ASN 8 Cb -1.11 0.64 -0.25 0.00 -1.45 0.00 0.00 41.25 39.08 3knm s ASN 8 CO 0.53 -0.17 1.02 0.03 -3.72 0.00 0.00 177.10 174.79 3knm h ARG 9 N 6.92 0.29 0.00 0.43 3.08 -1.96 -2.64 114.38 120.51 3knm h ARG 9 Ca -0.37 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 3knm h ARG 9 Cb 1.17 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 3knm h ARG 9 CO 0.32 1.07 -0.03 -0.09 -1.07 0.00 0.00 179.97 180.16 3knm h ARG 10 N -0.32 0.00 0.39 0.04 2.43 -1.98 -0.66 114.38 114.28 3knm h ARG 10 Ca -0.07 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3knm h ARG 10 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3knm h ARG 10 CO 0.10 0.03 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.19 3knm h LYS 11 N 0.00 -0.50 -0.50 0.20 1.63 -1.98 -1.90 116.57 113.52 3knm h LYS 11 Ca -0.00 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.93 3knm h LYS 11 Cb 0.07 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 31.72 3knm h LYS 11 CO 0.00 -0.33 -0.12 -0.09 -3.45 0.00 0.00 179.45 175.46 3knm h ARG 12 N -0.85 0.00 -0.53 1.90 2.43 -1.30 0.54 114.38 116.57 3knm h ARG 12 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3knm h ARG 12 Cb 0.40 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3knm h ARG 12 CO 0.09 0.00 0.34 0.00 -1.51 0.00 0.00 179.97 178.89 3knm h ALA 13 N 1.50 0.67 0.00 2.80 0.00 -1.21 -1.75 119.26 121.26 3knm h ALA 13 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3knm h ALA 13 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3knm h ALA 13 CO -0.51 0.13 -0.55 0.87 0.00 0.00 0.00 179.25 179.19 3knm h LYS 14 N 0.71 0.00 0.00 0.00 1.57 -0.34 -0.30 116.57 118.21 3knm h LYS 14 Ca 0.19 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 3knm h LYS 14 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3knm h LYS 14 CO -0.04 0.55 -0.82 1.15 -0.57 0.00 0.00 179.45 179.72 3knm h THR 15 N 0.00 1.17 -0.48 -0.16 2.02 0.16 -3.39 112.91 112.24 3knm h THR 15 Ca -0.01 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3knm h THR 15 Cb 1.16 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3knm h THR 15 CO 0.07 0.40 0.00 1.41 0.37 0.00 0.00 175.52 177.77 3knm n HIS 16 N -4.50 1.48 -0.70 3.16 8.25 -0.67 -4.81 115.22 117.44 3knm n HIS 16 Ca -0.24 -0.74 -0.32 0.00 -0.26 0.00 0.00 57.72 56.17 3knm n HIS 16 Cb 0.60 -0.36 0.16 0.00 1.12 0.00 0.00 29.99 31.51 3knm n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knm n GLY 17 N 0.36 -1.63 0.13 -1.41 0.00 -0.12 -4.32 105.19 98.20 3knm n GLY 17 Ca 0.24 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 3knm n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3knm h PHE 18 N -1.89 0.01 0.09 1.61 3.57 -1.95 -1.50 116.94 116.88 3knm h PHE 18 Ca -0.47 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.83 3knm h PHE 18 Cb 1.30 -0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.06 3knm h PHE 18 CO 0.37 0.67 -0.79 0.00 -2.23 0.00 0.00 178.31 176.33 3knm h ARG 19 N 0.00 0.37 -0.76 1.11 3.08 -1.90 -2.50 114.38 113.78 3knm h ARG 19 Ca -0.01 -0.52 0.11 0.00 0.07 0.00 0.00 59.98 59.63 3knm h ARG 19 Cb 1.18 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 31.33 3knm h ARG 19 CO 0.09 1.21 0.39 0.00 -1.07 0.00 0.00 179.97 180.59 3knm h ALA 20 N 0.18 1.08 0.66 0.04 0.00 -1.83 -1.12 119.26 118.28 3knm h ALA 20 Ca -0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3knm h ALA 20 Cb 1.56 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.31 3knm h ALA 20 CO 0.15 -0.04 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 3knm h ARG 21 N 0.63 -0.85 -1.20 0.00 2.47 -1.29 -2.70 114.38 111.43 3knm h ARG 21 Ca 0.39 0.06 0.35 0.00 -1.26 0.00 0.00 59.98 59.51 3knm h ARG 21 Cb 0.45 0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 28.91 3knm h ARG 21 CO -0.29 -0.57 0.96 0.52 0.56 0.00 0.00 179.97 181.14 3knm h MET 22 N -0.89 0.00 0.00 0.04 2.86 -1.00 -1.83 114.93 114.11 3knm h MET 22 Ca -0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3knm h MET 22 Cb 0.68 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 3knm h MET 22 CO 0.15 0.00 -0.16 -0.09 1.06 0.00 0.00 176.91 177.87 3knm h ARG 23 N 0.00 0.00 -6.43 1.72 2.43 -0.87 -3.42 114.38 107.81 3knm h ARG 23 Ca 0.57 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 59.06 3knm h ARG 23 Cb 2.48 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 31.83 3knm h ARG 23 CO -0.01 0.16 -0.75 -0.08 -1.51 0.00 0.00 179.97 177.78 3knm s THR 24 N -3.53 3.25 0.44 0.20 -1.32 -0.72 -5.00 115.64 108.95 3knm s THR 24 Ca 0.02 -0.97 0.11 0.00 -1.21 0.00 0.00 61.69 59.64 3knm s THR 24 Cb 0.09 -2.40 0.23 0.00 -1.51 0.00 0.00 72.50 68.91 3knm s THR 24 CO 0.62 0.36 2.04 1.55 -2.21 0.00 0.00 174.62 176.99 3knm h PRO 25 N 4.51 0.23 -0.17 7.08 0.13 -1.86 0.89 132.00 142.82 3knm h PRO 25 Ca -0.48 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 3knm h PRO 25 Cb 1.16 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.25 3knm h PRO 25 CO 0.51 0.23 -0.59 0.78 -0.23 0.00 0.00 178.00 178.70 3knm h GLY 26 N 0.43 0.76 1.60 1.56 0.00 -1.94 -2.28 103.07 103.19 3knm h GLY 26 Ca 0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 47.33 46.28 3knm h GLY 26 CO -0.00 0.91 -0.22 -1.33 0.00 0.00 0.00 176.54 175.90 3knm h GLY 27 N 0.39 0.51 0.89 4.60 0.00 -1.27 -2.54 103.07 105.65 3knm h GLY 27 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3knm h GLY 27 CO 0.13 0.37 -0.04 3.21 0.00 0.00 0.00 176.54 180.20 3knm h ARG 28 N 0.43 0.58 0.00 4.80 3.08 0.11 -2.56 114.38 120.81 3knm h ARG 28 Ca 0.07 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3knm h ARG 28 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3knm h ARG 28 CO 0.04 0.74 0.00 0.87 -1.07 0.00 0.00 179.97 180.56 3knm h LYS 29 N 0.36 0.00 0.07 0.04 1.57 -1.24 -2.47 116.57 114.90 3knm h LYS 29 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3knm h LYS 29 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3knm h LYS 29 CO 0.02 0.00 -0.03 0.28 -0.57 0.00 0.00 179.45 179.15 3knm h VAL 30 N 0.00 1.20 0.63 0.50 2.07 -1.03 -2.44 116.25 117.18 3knm h VAL 30 Ca 0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3knm h VAL 30 Cb 0.22 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3knm h VAL 30 CO 0.00 0.26 -0.49 -0.07 0.02 0.00 0.00 177.57 177.28 3knm h LEU 31 N -0.59 -1.30 -0.98 2.57 3.38 -1.49 -0.45 115.31 116.45 3knm h LEU 31 Ca -0.01 0.09 0.27 0.00 0.09 0.00 0.00 57.88 58.32 3knm h LEU 31 Cb 0.50 0.41 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 3knm h LEU 31 CO 0.02 -0.70 0.02 0.50 0.09 0.00 0.00 178.44 178.37 3knm h LYS 32 N -1.09 0.01 0.11 1.13 3.11 -1.54 0.59 116.57 118.90 3knm h LYS 32 Ca -0.08 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 3knm h LYS 32 Cb 0.91 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 3knm h LYS 32 CO 0.01 0.01 -0.05 -0.09 -2.81 0.00 0.00 179.45 176.52 3knm h ARG 33 N 0.01 -0.15 0.48 1.90 2.43 -0.87 -2.04 114.38 116.15 3knm h ARG 33 Ca 0.59 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.75 3knm h ARG 33 Cb 1.20 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3knm h ARG 33 CO -0.91 -0.01 -0.23 0.00 -1.51 0.00 0.00 179.97 177.30 3knm h ARG 34 N -0.26 -0.63 -0.82 0.20 3.08 0.16 -2.06 114.38 114.06 3knm h ARG 34 Ca -0.02 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.28 3knm h ARG 34 Cb 0.21 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.27 3knm h ARG 34 CO 0.03 -0.33 0.20 0.00 -1.07 0.00 0.00 179.97 178.79 3knm h ARG 35 N -0.86 0.23 0.00 0.04 3.08 -0.16 0.82 114.38 117.53 3knm h ARG 35 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3knm h ARG 35 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3knm h ARG 35 CO 0.11 0.15 0.00 0.37 -1.07 0.00 0.00 179.97 179.53 3knm h GLN 36 N 0.23 0.00 0.00 0.04 4.15 -1.04 -1.20 115.11 117.30 3knm h GLN 36 Ca 0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.91 3knm h GLN 36 Cb 0.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.61 3knm h GLN 36 CO -0.60 0.00 -1.44 1.17 -1.93 0.00 0.00 178.83 176.03 3knm n LYS 37 N -2.55 0.50 -0.19 1.69 4.81 0.27 -4.98 118.16 117.71 3knm n LYS 37 Ca -0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3knm n LYS 37 Cb 0.16 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3knm n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knm n GLY 38 N 1.29 0.77 3.39 3.14 0.00 -0.36 -5.05 105.19 108.38 3knm n GLY 38 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3knm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 39 N -2.11 0.35 0.17 1.61 5.12 -1.20 -4.85 116.66 115.73 3knm n ARG 39 Ca 0.00 0.13 0.11 0.00 -1.93 0.00 0.00 57.85 56.16 3knm n ARG 39 Cb 0.00 -1.39 0.09 0.00 -1.16 0.00 0.00 32.46 30.00 3knm n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 3knm h TRP 40 N 0.36 0.00 -3.77 -1.55 4.06 -1.96 -3.44 115.95 109.64 3knm h TRP 40 Ca -0.42 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.03 3knm h TRP 40 Cb 1.42 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 29.37 3knm h TRP 40 CO 0.30 0.03 -0.80 1.03 -3.56 0.00 0.00 178.44 175.45 3knm s ARG 41 N -3.26 1.08 -0.05 0.49 3.00 -1.26 -5.03 118.95 113.92 3knm s ARG 41 Ca 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 55.73 54.58 3knm s ARG 41 Cb 0.07 -1.20 -0.03 0.00 0.00 0.00 0.00 34.95 33.79 3knm s ARG 41 CO 0.72 0.27 -0.05 1.28 0.00 0.00 0.00 175.30 177.52 3knm n LEU 42 N 0.91 1.85 -4.60 2.53 4.77 -1.26 -4.96 117.00 116.24 3knm n LEU 42 Ca -0.18 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.45 3knm n LEU 42 Cb 0.55 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3knm n LEU 42 CO 0.24 0.37 -0.22 0.28 -1.33 0.00 0.00 177.39 176.73 3knm s THR 43 N -2.09 4.94 -0.94 -5.08 -1.32 -1.26 -4.97 115.64 104.92 3knm s THR 43 Ca -0.07 0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.16 3knm s THR 43 Cb 0.02 -3.28 -0.21 0.00 -1.51 0.00 0.00 72.50 67.52 3knm s THR 43 CO 0.10 0.38 2.64 -2.65 -2.21 0.00 0.00 174.62 172.87 3knm n PRO 44 N 4.22 0.11 -1.66 7.08 -0.02 -1.26 -4.72 135.00 138.75 3knm n PRO 44 Ca -0.16 -0.01 -0.49 0.00 -2.02 0.00 0.00 63.50 60.82 3knm n PRO 44 Cb 0.52 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 3knm n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knm n ALA 45 N 10.87 0.57 -3.00 3.55 0.00 -1.26 -4.95 120.51 126.28 3knm n ALA 45 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.47 3knm n ALA 45 Cb 0.09 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3knm n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knm n VAL 46 N 3.97 0.00 0.00 0.00 0.31 -1.26 -5.14 118.33 116.20 3knm n VAL 46 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3knm n VAL 46 Cb 0.25 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3knm n VAL 46 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3knm n ARG 47 N 0.00 0.00 0.00 5.55 -4.01 -1.26 -5.14 116.66 111.80 3knm n ARG 47 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3knm n ARG 47 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3knm n ARG 47 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 3knm n LYS 48 N -0.18 0.00 0.00 2.89 0.00 -1.26 -5.05 118.16 114.57 3knm n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3knm n LYS 48 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3knm n LYS 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29