#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iva n LYS 2 N 0.00 0.00 -3.44 1.64 2.85 -1.26 -5.02 118.16 112.94 1iva n LYS 2 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1iva n LYS 2 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1iva n LYS 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1iva s LYS 3 N 0.22 0.58 0.37 -1.58 -0.14 -1.26 -5.14 119.74 112.80 1iva s LYS 3 Ca 0.00 -1.31 -0.04 0.00 -1.36 0.00 0.00 55.97 53.26 1iva s LYS 3 Cb 0.00 -1.21 0.06 0.00 -1.68 0.00 0.00 37.83 35.00 1iva s LYS 3 CO 0.00 -1.22 0.13 0.00 -0.76 0.00 0.00 175.35 173.50 1iva h ILE 5 N -1.89 1.43 -4.15 0.00 1.08 -1.90 -3.48 117.51 108.60 1iva h ILE 5 Ca -0.06 -1.27 -0.17 0.00 -0.39 0.00 0.00 64.86 62.96 1iva h ILE 5 Cb 0.20 2.29 0.10 0.00 -3.07 0.00 0.00 36.82 36.34 1iva h ILE 5 CO 0.04 0.33 -0.45 0.00 -0.69 0.00 0.00 178.15 177.38 1iva n ALA 6 N -2.37 -1.27 -3.45 1.87 0.00 -1.26 -4.97 120.51 109.06 1iva n ALA 6 Ca -0.09 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1iva n ALA 6 Cb 0.28 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1iva n ALA 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iva s LYS 7 N -4.51 0.04 -0.18 0.00 2.20 -1.26 -4.99 119.74 111.04 1iva s LYS 7 Ca 0.07 0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.48 1iva s LYS 7 Cb -0.01 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 1iva s LYS 7 CO 0.41 -0.01 1.37 0.16 -0.36 0.00 0.00 175.35 176.92 1iva s ASP 8 N 1.48 6.78 -0.09 1.43 -4.77 -1.20 -4.14 116.67 116.16 1iva s ASP 8 Ca -0.04 1.66 -0.03 0.00 -3.30 0.00 0.00 52.55 50.83 1iva s ASP 8 Cb -0.02 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1iva s ASP 8 CO -0.13 -0.91 0.12 -1.22 0.70 0.00 0.00 175.17 173.73 1iva n TYR 9 N 7.13 -0.73 -3.34 2.11 4.01 -0.57 -4.94 117.16 120.83 1iva n TYR 9 Ca 0.15 0.30 0.02 0.00 -0.16 0.00 0.00 57.90 58.21 1iva n TYR 9 Cb 0.45 -2.04 -0.04 0.00 -0.31 0.00 0.00 39.34 37.40 1iva n TYR 9 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iva s GLY 10 N -1.29 -0.04 0.00 2.72 0.00 -1.26 -4.71 107.32 102.74 1iva s GLY 10 Ca 0.05 3.24 0.00 0.00 0.00 0.00 0.00 44.72 48.01 1iva s GLY 10 CO 0.16 3.27 0.00 -2.13 0.00 0.00 0.00 173.10 174.40 1iva n ARG 11 N 4.81 0.00 -2.40 2.90 3.00 -1.23 -2.67 116.66 121.07 1iva n ARG 11 Ca -0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.53 1iva n ARG 11 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.05 1iva n ARG 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iva s LYS 13 N -5.04 0.48 -0.71 0.00 2.20 -1.26 -4.39 119.74 111.01 1iva s LYS 13 Ca 0.59 -0.88 -0.16 0.00 -0.36 0.00 0.00 55.97 55.16 1iva s LYS 13 Cb -0.10 0.17 0.16 0.00 -1.51 0.00 0.00 37.83 36.54 1iva s LYS 13 CO 0.42 -0.09 0.72 -1.58 -0.36 0.00 0.00 175.35 174.46 1iva s TRP 14 N -2.65 3.37 0.00 4.03 0.51 -1.26 -4.14 118.94 118.79 1iva s TRP 14 Ca -0.05 -1.49 0.00 0.00 -2.12 0.00 0.00 56.10 52.44 1iva s TRP 14 Cb -0.01 -3.92 0.00 0.00 -0.81 0.00 0.00 33.47 28.73 1iva s TRP 14 CO -0.05 -1.13 0.00 0.41 -0.51 0.00 0.00 176.95 175.67 1iva n GLY 15 N 4.81 0.70 0.00 0.98 0.00 -1.26 -5.13 105.19 105.28 1iva n GLY 15 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1iva n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iva n GLY 16 N 0.00 3.93 3.73 -0.02 0.00 -1.26 -5.15 105.19 106.42 1iva n GLY 16 Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1iva n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iva n THR 17 N 0.00 3.02 0.00 2.61 -1.04 -1.26 -5.02 114.28 112.59 1iva n THR 17 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1iva n THR 17 Cb 0.00 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 1iva n THR 17 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1iva n PRO 18 N -0.36 0.81 -3.71 -2.82 -0.04 -1.26 -4.55 135.00 123.07 1iva n PRO 18 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1iva n PRO 18 Cb 0.42 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.79 1iva n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iva s ARG 21 N -2.12 1.41 0.00 0.00 1.70 -1.26 -4.97 118.95 113.70 1iva s ARG 21 Ca -0.16 -2.42 0.00 0.00 -0.47 0.00 0.00 55.73 52.68 1iva s ARG 21 Cb 0.02 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.25 1iva s ARG 21 CO 0.34 -1.31 0.00 0.41 -1.08 0.00 0.00 175.30 173.65 1iva n GLY 22 N 2.75 0.96 3.42 3.88 0.00 -1.26 -3.25 105.19 111.69 1iva n GLY 22 Ca 0.23 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1iva n GLY 22 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iva s ARG 23 N -1.28 1.75 0.00 1.61 1.70 -1.26 -4.40 118.95 117.08 1iva s ARG 23 Ca 0.00 -2.03 0.00 0.00 -0.47 0.00 0.00 55.73 53.23 1iva s ARG 23 Cb 0.00 -0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.03 1iva s ARG 23 CO 0.00 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 1iva n GLY 24 N -0.73 -1.41 1.40 3.88 0.00 -1.26 -4.68 105.19 102.40 1iva n GLY 24 Ca -0.02 0.47 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 1iva n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iva s ILE 26 N -0.01 1.05 0.48 0.00 -1.09 -0.82 -4.81 121.20 116.00 1iva s ILE 26 Ca -0.00 -1.45 -0.20 0.00 -2.23 0.00 0.00 60.65 56.77 1iva s ILE 26 Cb 0.00 -1.19 -0.09 0.00 -1.58 0.00 0.00 42.46 39.60 1iva s ILE 26 CO 0.01 -0.36 1.00 0.00 -1.23 0.00 0.00 174.94 174.35 1iva s SER 28 N -2.26 0.36 -0.97 0.00 0.01 -1.26 -4.50 113.70 105.07 1iva s SER 28 Ca 0.64 -1.21 -0.21 0.00 1.31 0.00 0.00 55.95 56.48 1iva s SER 28 Cb -0.13 0.70 0.03 0.00 0.21 0.00 0.00 66.02 66.83 1iva s SER 28 CO 0.20 -1.37 0.59 -0.38 0.41 0.00 0.00 173.24 172.68 1iva n ILE 29 N -0.51 -2.55 -0.14 1.44 -0.00 -1.03 -1.40 119.36 115.18 1iva n ILE 29 Ca -0.03 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.39 1iva n ILE 29 Cb 0.61 -2.21 0.00 0.00 -0.00 0.00 0.00 39.64 38.04 1iva n ILE 29 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 1iva n MET 30 N -3.87 0.00 -1.78 0.38 2.81 -0.80 -4.28 117.12 109.58 1iva n MET 30 Ca -0.17 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.70 1iva n MET 30 Cb 0.55 -0.81 0.01 0.00 -0.71 0.00 0.00 33.22 32.26 1iva n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iva n GLY 31 N -2.00 0.61 2.03 3.03 0.00 -0.49 -4.89 105.19 103.48 1iva n GLY 31 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1iva n GLY 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iva n THR 32 N -1.69 0.00 0.00 2.61 -1.04 -0.61 -4.83 114.28 108.71 1iva n THR 32 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1iva n THR 32 Cb 0.52 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1iva n THR 32 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1iva n ASN 33 N -2.72 0.00 -0.03 8.00 2.85 -0.99 -4.96 115.26 117.42 1iva n ASN 33 Ca 0.00 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 1iva n ASN 33 Cb 0.00 -0.14 -0.00 0.00 1.24 0.00 0.00 39.78 40.87 1iva n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iva s GLU 35 N -2.30 1.08 -0.60 0.00 2.02 -0.48 -2.97 118.70 115.45 1iva s GLU 35 Ca 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 54.97 54.82 1iva s GLU 35 Cb 0.00 0.51 -0.17 0.00 0.10 0.00 0.00 34.13 34.57 1iva s GLU 35 CO 0.00 -0.39 1.83 0.00 0.02 0.00 0.00 175.26 176.72 1iva n LYS 37 N 6.52 -1.59 0.02 0.00 4.81 -1.26 -1.51 118.16 125.14 1iva n LYS 37 Ca 0.44 1.57 -0.15 0.00 -0.87 0.00 0.00 58.31 59.31 1iva n LYS 37 Cb 0.33 -2.45 -0.14 0.00 0.02 0.00 0.00 35.03 32.78 1iva n LYS 37 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1iva h PRO 38 N 3.68 0.16 -0.07 1.64 0.13 -1.89 -3.41 132.00 132.24 1iva h PRO 38 Ca -0.04 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1iva h PRO 38 Cb 0.62 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1iva h PRO 38 CO 0.03 0.92 -0.02 0.54 -0.23 0.00 0.00 178.00 179.24 1iva n ARG 39 N -3.31 -0.08 0.00 0.86 5.12 -1.26 -4.98 116.66 113.01 1iva n ARG 39 Ca -0.20 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1iva n ARG 39 Cb 1.04 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 32.27 1iva n ARG 39 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1iva n LEU 40 N -1.45 0.00 -2.91 0.55 7.94 -1.26 -4.94 117.00 114.92 1iva n LEU 40 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1iva n LEU 40 Cb 0.01 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.99 1iva n LEU 40 CO 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 177.39 176.36 1iva n ILE 41 N 0.00 -0.13 -3.22 1.96 3.06 -1.26 -4.96 119.36 114.82 1iva n ILE 41 Ca 0.00 -2.64 -0.08 0.00 -2.50 0.00 0.00 62.75 57.52 1iva n ILE 41 Cb 0.00 0.62 0.02 0.00 0.54 0.00 0.00 39.64 40.82 1iva n ILE 41 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 1iva n MET 42 N 0.69 -1.58 0.00 9.51 2.81 -0.58 -2.46 117.12 125.51 1iva n MET 42 Ca 0.14 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.21 1iva n MET 42 Cb 0.66 -5.39 0.00 0.00 -0.71 0.00 0.00 33.22 27.77 1iva n MET 42 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1iva n GLU 43 N -2.43 0.00 0.09 0.03 2.13 -1.26 -1.90 120.64 117.31 1iva n GLU 43 Ca -0.05 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.69 1iva n GLU 43 Cb 0.55 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.22 1iva n GLU 43 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1iva h GLY 44 N 0.00 -0.35 0.00 8.31 0.00 -1.96 -3.41 103.07 105.66 1iva h GLY 44 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1iva h GLY 44 CO 0.00 -0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.45 1iva n LEU 45 N -4.99 0.03 0.00 3.11 7.99 -1.26 -5.14 117.00 116.74 1iva n LEU 45 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1iva n LEU 45 Cb 0.19 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1iva n LEU 45 CO 0.16 -0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.61 1iva n GLY 46 N 2.43 -1.15 1.05 -0.72 0.00 -1.26 -4.97 105.19 100.57 1iva n GLY 46 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1iva n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iva n LEU 47 N 0.00 0.86 0.00 0.99 4.77 -1.26 -1.53 117.00 120.83 1iva n LEU 47 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1iva n LEU 47 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1iva n LEU 47 CO 0.00 -0.60 0.00 0.00 -1.33 0.00 0.00 177.39 175.46