#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2igr n TRP 2 N 0.00 0.18 0.15 2.13 -0.00 -1.26 -2.37 117.44 116.28 2igr n TRP 2 Ca 0.00 0.08 0.19 0.00 -0.00 0.00 0.00 57.50 57.77 2igr n TRP 2 Cb 0.00 -0.63 0.77 0.00 -0.00 0.00 0.00 31.31 31.44 2igr n TRP 2 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2igr h LYS 3 N 0.00 0.00 -0.99 5.87 2.10 -2.08 0.55 116.57 122.02 2igr h LYS 3 Ca 0.00 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.93 2igr h LYS 3 Cb 0.12 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.39 2igr h LYS 3 CO 0.00 0.00 0.70 0.28 -2.00 0.00 0.00 179.45 178.43 2igr h VAL 4 N 0.00 0.53 -0.14 0.07 2.07 -1.94 0.79 116.25 117.63 2igr h VAL 4 Ca 0.14 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2igr h VAL 4 Cb 0.95 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2igr h VAL 4 CO -0.00 0.02 0.11 0.15 0.02 0.00 0.00 177.57 177.87 2igr h PHE 5 N 0.11 0.00 -0.49 1.57 3.57 -1.16 0.44 116.94 120.99 2igr h PHE 5 Ca 0.49 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.97 2igr h PHE 5 Cb 1.75 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 2igr h PHE 5 CO -0.00 0.00 0.21 -0.22 -2.23 0.00 0.00 178.31 176.07 2igr h LYS 6 N 0.00 0.68 -0.09 1.11 1.63 0.42 0.54 116.57 120.87 2igr h LYS 6 Ca 0.07 -0.09 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2igr h LYS 6 Cb 0.28 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2igr h LYS 6 CO -0.00 0.55 -0.46 0.87 -3.45 0.00 0.00 179.45 176.96 2igr h LYS 7 N 0.68 0.20 -0.04 1.90 1.79 -1.00 -0.04 116.57 120.06 2igr h LYS 7 Ca 0.17 -0.11 -0.18 0.00 -2.18 0.00 0.00 60.65 58.35 2igr h LYS 7 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2igr h LYS 7 CO -0.02 0.63 -0.77 0.82 -1.08 0.00 0.00 179.45 179.03 2igr h ILE 8 N 0.17 1.42 -0.52 1.86 2.04 -0.83 -2.33 117.51 119.32 2igr h ILE 8 Ca 0.01 -2.29 -0.10 0.00 1.00 0.00 0.00 64.86 63.48 2igr h ILE 8 Cb 0.88 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 2igr h ILE 8 CO 0.07 0.68 -0.08 -0.08 0.00 0.00 0.00 178.15 178.74 2igr h GLU 9 N 0.19 0.97 0.00 2.37 4.22 0.62 -2.33 114.58 120.62 2igr h GLU 9 Ca -0.03 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 58.99 2igr h GLU 9 Cb 1.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2igr h GLU 9 CO 0.12 1.02 -0.30 -0.22 -2.18 0.00 0.00 179.01 177.45 2igr h LYS 10 N 0.83 0.00 0.00 1.92 3.64 -0.92 -1.93 116.57 120.11 2igr h LYS 10 Ca 0.14 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2igr h LYS 10 Cb 0.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2igr h LYS 10 CO 0.04 0.30 -0.53 -0.22 -2.27 0.00 0.00 179.45 176.77 2igr h LYS 11 N 0.00 0.00 0.32 1.90 1.63 -0.91 -1.18 116.57 118.32 2igr h LYS 11 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2igr h LYS 11 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2igr h LYS 11 CO 0.04 0.53 -0.15 2.35 -3.45 0.00 0.00 179.45 178.77 2igr h TRP 12 N 0.00 -0.40 -0.08 1.91 7.01 -0.85 -0.73 115.95 122.82 2igr h TRP 12 Ca -0.01 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 2igr h TRP 12 Cb 1.01 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 28.19 2igr h TRP 12 CO 0.00 -0.10 0.08 -0.22 -2.79 0.00 0.00 178.44 175.41 2igr h LYS 13 N -1.01 0.00 -0.08 2.65 3.11 -1.49 -0.14 116.57 119.62 2igr h LYS 13 Ca -0.04 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.58 2igr h LYS 13 Cb 0.48 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2igr h LYS 13 CO 0.07 0.00 -0.81 0.28 -2.81 0.00 0.00 179.45 176.18 2igr h VAL 14 N 0.00 1.31 -0.44 2.00 2.07 -1.10 -3.06 116.25 117.02 2igr h VAL 14 Ca 0.04 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.43 2igr h VAL 14 Cb 0.20 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2igr h VAL 14 CO -0.00 0.64 -0.01 0.15 0.02 0.00 0.00 177.57 178.36 2igr h PHE 15 N 0.36 0.76 0.00 1.57 3.04 0.50 -1.66 116.94 121.50 2igr h PHE 15 Ca -0.08 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 2igr h PHE 15 Cb 1.46 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 2igr h PHE 15 CO 0.10 0.72 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.83 2igr h LYS 16 N 0.67 0.00 -0.18 1.11 3.64 -1.19 -1.91 116.57 118.71 2igr h LYS 16 Ca 0.13 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2igr h LYS 16 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2igr h LYS 16 CO 0.02 0.06 -0.47 1.57 -2.27 0.00 0.00 179.45 178.36 2igr h LYS 17 N 0.00 0.46 0.00 1.90 5.09 -1.20 -2.87 116.57 119.96 2igr h LYS 17 Ca -0.00 -0.26 -0.11 0.00 0.09 0.00 0.00 60.65 60.37 2igr h LYS 17 Cb 0.23 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.56 2igr h LYS 17 CO 0.01 0.84 -0.51 -0.84 -2.09 0.00 0.00 179.45 176.85 2igr h ILE 18 N 0.37 1.04 -0.72 0.07 3.07 -1.38 -3.09 117.51 116.87 2igr h ILE 18 Ca 0.02 -2.03 0.13 0.00 1.55 0.00 0.00 64.86 64.53 2igr h ILE 18 Cb 0.96 2.21 -0.09 0.00 -0.27 0.00 0.00 36.82 39.64 2igr h ILE 18 CO 0.08 0.50 0.28 -0.08 -1.05 0.00 0.00 178.15 177.89 2igr h GLU 19 N 0.00 0.42 0.00 0.16 4.57 -1.29 2.48 114.58 120.93 2igr h GLU 19 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2igr h GLU 19 Cb 1.17 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2igr h GLU 19 CO 0.07 0.28 0.00 1.57 -1.18 0.00 0.00 179.01 179.75 2igr h LYS 20 N 0.44 0.00 -0.01 1.92 2.10 -1.63 -2.72 116.57 116.67 2igr h LYS 20 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2igr h LYS 20 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2igr h LYS 20 CO -0.38 0.00 -0.51 0.00 -2.00 0.00 0.00 179.45 176.56 2igr n ALA 21 N -2.05 3.63 -3.20 0.07 0.00 0.22 -4.46 120.51 114.73 2igr n ALA 21 Ca 0.03 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 2igr n ALA 21 Cb 0.42 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 2igr n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2igr n GLY 22 N 1.42 3.91 0.00 0.00 0.00 0.77 -4.88 105.19 106.41 2igr n GLY 22 Ca 0.09 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 44.12 2igr n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2igr n PRO 23 N 0.71 0.91 0.32 1.61 -0.04 -1.23 -3.92 135.00 133.36 2igr n PRO 23 Ca 0.26 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.87 2igr n PRO 23 Cb 0.52 -1.16 0.81 0.00 -0.04 0.00 0.00 33.50 33.63 2igr n PRO 23 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2igr h LYS 24 N 0.00 0.00 -0.00 0.54 3.64 -1.90 1.09 116.57 119.94 2igr h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2igr h LYS 24 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2igr h LYS 24 CO 0.00 0.00 -0.53 0.91 -2.27 0.00 0.00 179.45 177.56 2igr n TRP 25 N -2.82 0.00 0.55 1.91 7.02 -1.25 -3.83 117.44 119.02 2igr n TRP 25 Ca -0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.53 2igr n TRP 25 Cb 0.34 -0.17 0.06 0.00 -2.42 0.00 0.00 31.31 29.12 2igr n TRP 25 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2igr n LYS 26 N -1.24 0.97 -0.01 -0.99 4.81 0.37 -4.48 118.16 117.59 2igr n LYS 26 Ca 0.07 -1.35 0.10 0.00 -0.87 0.00 0.00 58.31 56.26 2igr n LYS 26 Cb 0.34 -1.27 0.52 0.00 0.02 0.00 0.00 35.03 34.65 2igr n LYS 26 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2igr h VAL 27 N 2.71 0.95 0.00 3.15 3.04 -1.46 0.11 116.25 124.75 2igr h VAL 27 Ca 0.00 -0.12 -0.12 0.00 -1.01 0.00 0.00 66.70 65.45 2igr h VAL 27 Cb 0.58 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 2igr h VAL 27 CO 0.00 0.06 -0.59 0.15 -1.01 0.00 0.00 177.57 176.18 2igr h PHE 28 N 0.35 0.00 0.00 3.17 3.57 -1.85 -2.94 116.94 119.24 2igr h PHE 28 Ca 0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2igr h PHE 28 Cb 0.36 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2igr h PHE 28 CO -0.00 0.59 -0.10 0.87 -2.23 0.00 0.00 178.31 177.44 2igr h LYS 29 N 0.00 0.00 -0.28 1.11 6.56 -1.05 -2.30 116.57 120.61 2igr h LYS 29 Ca -0.01 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.65 2igr h LYS 29 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 2igr h LYS 29 CO 0.08 0.10 0.19 0.87 -2.06 0.00 0.00 179.45 178.64 2igr h LYS 30 N 0.00 0.07 -0.61 3.15 1.57 -1.32 -0.47 116.57 118.96 2igr h LYS 30 Ca -0.00 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2igr h LYS 30 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2igr h LYS 30 CO 0.01 0.04 0.03 0.82 -0.57 0.00 0.00 179.45 179.79 2igr h ILE 31 N 0.07 1.26 0.00 1.86 2.04 -1.60 -2.43 117.51 118.71 2igr h ILE 31 Ca 0.13 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2igr h ILE 31 Cb 0.42 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2igr h ILE 31 CO -0.01 0.41 -0.40 -0.08 0.00 0.00 0.00 178.15 178.07 2igr h GLU 32 N 0.96 0.00 -0.01 2.37 4.22 -1.25 -3.54 114.58 117.34 2igr h GLU 32 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 2igr h GLU 32 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2igr h GLU 32 CO 0.03 0.40 0.00 1.63 -2.18 0.00 0.00 179.01 178.88