#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iva h LYS 2 N 0.00 -0.21 -5.83 1.64 1.57 -2.05 -3.50 116.57 108.20 1iva h LYS 2 Ca 0.00 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1iva h LYS 2 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1iva h LYS 2 CO 0.00 0.01 -0.49 0.36 -0.57 0.00 0.00 179.45 178.76 1iva n LYS 3 N -4.91 -1.63 -0.96 3.15 2.85 -1.26 -4.88 118.16 110.53 1iva n LYS 3 Ca -0.04 1.41 0.10 0.00 -1.05 0.00 0.00 58.31 58.73 1iva n LYS 3 Cb 0.16 -4.50 -0.03 0.00 -0.65 0.00 0.00 35.03 30.01 1iva n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iva n ILE 5 N -3.07 0.94 -1.62 0.00 5.41 -1.26 -4.84 119.36 114.92 1iva n ILE 5 Ca -0.02 0.27 -0.01 0.00 1.00 0.00 0.00 62.75 63.99 1iva n ILE 5 Cb 0.60 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1iva n ILE 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iva n ALA 6 N -3.70 -0.69 -3.64 -1.39 0.00 -1.26 -4.83 120.51 105.00 1iva n ALA 6 Ca -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1iva n ALA 6 Cb 0.31 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.09 0.61 -0.07 0.00 2.20 -1.25 -4.85 119.74 113.29 1iva s LYS 7 Ca 0.03 1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.73 1iva s LYS 7 Cb -0.00 0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 36.95 1iva s LYS 7 CO 0.05 -0.18 1.33 -0.51 -0.36 0.00 0.00 175.35 175.67 1iva s ASP 8 N 2.55 6.92 -0.29 1.43 1.01 -1.19 -2.33 116.67 124.77 1iva s ASP 8 Ca -0.07 1.92 -0.01 0.00 0.71 0.00 0.00 52.55 55.09 1iva s ASP 8 Cb -0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1iva s ASP 8 CO -0.19 -0.71 0.16 -1.22 0.21 0.00 0.00 175.17 173.41 1iva n TYR 9 N 5.86 -0.45 -2.76 4.23 4.01 0.05 -4.90 117.16 123.21 1iva n TYR 9 Ca 0.13 0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.59 1iva n TYR 9 Cb 0.45 -1.72 -0.03 0.00 -0.31 0.00 0.00 39.34 37.73 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 -2.98 2.76 -1.23 2.72 0.00 -0.98 -4.36 107.32 103.24 1iva s GLY 10 Ca 0.08 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 1iva s GLY 10 CO 0.10 1.65 1.90 -2.13 0.00 0.00 0.00 173.10 174.62 1iva n ARG 11 N 4.10 2.47 -1.37 2.90 3.00 -1.26 -0.18 116.66 126.31 1iva n ARG 11 Ca 0.05 -2.75 -0.29 0.00 -0.00 0.00 0.00 57.85 54.86 1iva n ARG 11 Cb 0.51 -3.45 0.23 0.00 0.00 0.00 0.00 32.46 29.74 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 -5.63 0.68 -0.60 0.00 -2.85 -1.26 -4.29 119.74 105.80 1iva s LYS 13 Ca 0.72 -1.11 -0.15 0.00 -1.00 0.00 0.00 55.97 54.42 1iva s LYS 13 Cb -0.05 0.25 0.15 0.00 -2.06 0.00 0.00 37.83 36.12 1iva s LYS 13 CO 0.53 -0.16 0.55 -1.58 0.10 0.00 0.00 175.35 174.80 1iva s TRP 14 N -3.84 3.37 0.00 1.78 0.51 -1.21 -4.04 118.94 115.51 1iva s TRP 14 Ca 0.06 -1.46 0.00 0.00 -2.12 0.00 0.00 56.10 52.57 1iva s TRP 14 Cb 0.07 -3.79 0.00 0.00 -0.81 0.00 0.00 33.47 28.93 1iva s TRP 14 CO -0.10 -1.01 0.00 0.41 -0.51 0.00 0.00 176.95 175.74 1iva n GLY 15 N 4.95 0.83 0.00 0.98 0.00 -1.26 -5.04 105.19 105.66 1iva n GLY 15 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 4.29 3.77 -0.02 0.00 -1.26 -5.14 105.19 106.82 1iva n GLY 16 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1iva n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iva s THR 17 N 0.40 2.93 0.00 2.61 2.01 -1.26 -5.04 115.64 117.30 1iva s THR 17 Ca 0.00 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1iva s THR 17 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1iva s THR 17 CO 0.00 0.12 0.00 -0.81 -0.69 0.00 0.00 174.62 173.24 1iva n PRO 18 N 0.25 0.00 -3.65 4.92 -0.04 -1.26 -4.46 135.00 130.76 1iva n PRO 18 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1iva n PRO 18 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.49 2.31 0.00 0.00 0.52 -1.26 -4.84 118.95 113.18 1iva s ARG 21 Ca -0.21 -3.19 0.00 0.00 -0.52 0.00 0.00 55.73 51.81 1iva s ARG 21 Cb 0.03 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1iva s ARG 21 CO 0.30 -1.28 0.00 0.41 0.02 0.00 0.00 175.30 174.76 1iva n GLY 22 N 2.14 1.38 3.33 -3.53 0.00 -1.26 -3.19 105.19 104.06 1iva n GLY 22 Ca 0.19 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.49 1.64 0.00 1.61 1.70 -1.00 -4.47 118.95 117.94 1iva s ARG 23 Ca 0.00 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 53.45 1iva s ARG 23 Cb 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1iva s ARG 23 CO 0.00 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.01 1iva n GLY 24 N -0.51 -0.92 3.65 3.88 0.00 -1.26 -4.27 105.19 105.77 1iva n GLY 24 Ca 0.04 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 2.39 3.33 0.10 0.00 -1.09 -0.80 -5.00 121.20 120.13 1iva s ILE 26 Ca 0.32 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1iva s ILE 26 Cb -0.16 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.37 1iva s ILE 26 CO 0.09 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.45 1iva n SER 28 N -2.05 0.00 0.00 0.00 2.88 -1.24 -4.93 113.62 108.28 1iva n SER 28 Ca -0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1iva n SER 28 Cb 0.12 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.07 1iva n SER 28 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1iva n ILE 29 N 0.00 0.27 -0.57 2.46 2.08 -1.26 -4.12 119.36 118.22 1iva n ILE 29 Ca 0.00 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1iva n ILE 29 Cb 0.00 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 1iva n ILE 29 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1iva n MET 30 N -1.17 0.33 0.00 0.38 0.00 -1.26 -5.03 117.12 110.37 1iva n MET 30 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1iva n MET 30 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 33.22 33.30 1iva n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1iva n GLY 31 N 0.00 1.88 0.00 3.17 0.00 -1.26 -5.07 105.19 103.91 1iva n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iva n GLY 31 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iva n THR 32 N -1.56 0.00 -3.82 2.61 -2.24 -1.26 -3.35 114.28 104.66 1iva n THR 32 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1iva n THR 32 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1iva n THR 32 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iva n ASN 33 N 0.00 -1.94 -2.40 3.42 3.02 -1.26 -3.68 115.26 112.42 1iva n ASN 33 Ca 0.00 -0.65 -0.03 0.00 -0.03 0.00 0.00 54.58 53.88 1iva n ASN 33 Cb 0.00 -1.69 0.01 0.00 -0.61 0.00 0.00 39.78 37.49 1iva n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iva s GLU 35 N -2.41 1.01 -0.73 0.00 2.02 -0.70 -4.32 118.70 113.58 1iva s GLU 35 Ca 0.09 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.32 1iva s GLU 35 Cb -0.01 0.48 0.19 0.00 0.10 0.00 0.00 34.13 34.89 1iva s GLU 35 CO 0.05 -0.29 0.63 0.00 0.02 0.00 0.00 175.26 175.68 1iva n LYS 37 N 4.00 1.33 -0.56 0.00 5.02 -0.83 -0.77 118.16 126.35 1iva n LYS 37 Ca 0.09 0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 1iva n LYS 37 Cb 0.44 -1.88 0.22 0.00 -0.02 0.00 0.00 35.03 33.79 1iva n LYS 37 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1iva n PRO 38 N 0.58 -1.87 -1.22 1.97 -0.04 -1.26 -2.36 135.00 130.81 1iva n PRO 38 Ca 0.09 -0.51 -0.31 0.00 -0.04 0.00 0.00 63.50 62.74 1iva n PRO 38 Cb 0.34 -2.11 0.11 0.00 -0.04 0.00 0.00 33.50 31.81 1iva n PRO 38 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1iva s ARG 39 N -4.23 1.83 0.51 0.54 1.04 -1.26 -4.51 118.95 112.87 1iva s ARG 39 Ca 0.66 1.05 0.34 0.00 -1.04 0.00 0.00 55.73 56.74 1iva s ARG 39 Cb -0.23 -1.86 1.74 0.00 -2.04 0.00 0.00 34.95 32.57 1iva s ARG 39 CO 0.64 -1.91 2.04 1.37 -0.04 0.00 0.00 175.30 177.41 1iva h LEU 40 N -1.31 0.00 -4.83 -1.89 8.10 -1.98 -1.94 115.31 111.47 1iva h LEU 40 Ca -0.46 0.00 -0.74 0.00 0.11 0.00 0.00 57.88 56.79 1iva h LEU 40 Cb 1.25 0.00 -0.27 0.00 -0.44 0.00 0.00 40.66 41.20 1iva h LEU 40 CO 0.52 0.00 1.01 -0.38 -4.11 0.00 0.00 178.44 175.49 1iva n ILE 41 N -2.78 3.59 0.00 0.15 2.08 -1.26 -3.91 119.36 117.24 1iva n ILE 41 Ca -0.01 -4.04 0.00 0.00 0.56 0.00 0.00 62.75 59.26 1iva n ILE 41 Cb 0.13 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 1iva n ILE 41 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1iva n MET 42 N -0.54 0.00 0.00 0.38 1.56 -0.79 -5.02 117.12 112.70 1iva n MET 42 Ca 0.55 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.98 1iva n MET 42 Cb 0.31 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.68 1iva n MET 42 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1iva n GLU 43 N -0.33 0.00 -2.16 2.12 2.13 -0.82 -4.78 120.64 116.80 1iva n GLU 43 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1iva n GLU 43 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1iva n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iva n GLY 44 N 5.00 4.97 0.20 8.31 0.00 -1.26 -4.83 105.19 117.57 1iva n GLY 44 Ca 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 1iva n GLY 44 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1iva h LEU 45 N 6.80 0.75 -6.25 0.99 -0.00 -1.87 -3.42 115.31 112.32 1iva h LEU 45 Ca 0.54 -0.55 -0.37 0.00 -0.00 0.00 0.00 57.88 57.50 1iva h LEU 45 Cb 0.47 -0.22 -0.30 0.00 -0.00 0.00 0.00 40.66 40.61 1iva h LEU 45 CO 1.56 1.16 -0.70 -0.83 -0.00 0.00 0.00 178.44 179.63 1iva s GLY 46 N -3.82 0.00 -0.13 0.17 0.00 -1.26 -5.04 107.32 97.24 1iva s GLY 46 Ca -0.12 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 1iva s GLY 46 CO 0.84 2.75 -0.27 1.04 0.00 0.00 0.00 173.10 177.47 1iva n LEU 47 N 3.98 1.54 0.00 0.66 4.77 -1.26 -5.24 117.00 121.45 1iva n LEU 47 Ca 0.14 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1iva n LEU 47 Cb 0.46 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1iva n LEU 47 CO 0.08 -0.34 0.00 0.00 -1.33 0.00 0.00 177.39 175.80