#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 s HIS 2 N 0.00 1.87 0.47 0.00 0.09 -1.26 -2.77 115.29 113.70 1iw4 s HIS 2 Ca 0.00 0.57 -0.08 0.00 -0.00 0.00 0.00 55.06 55.55 1iw4 s HIS 2 Cb 0.00 -4.01 0.11 0.00 -0.00 0.00 0.00 32.58 28.68 1iw4 s HIS 2 CO 0.00 -1.44 0.63 -1.33 -0.00 0.00 0.00 174.74 172.60 1iw4 n MET 3 N 8.54 -0.68 -1.48 1.40 2.00 -1.25 -4.89 117.12 120.75 1iw4 n MET 3 Ca 0.43 -0.98 -0.61 0.00 0.00 0.00 0.00 57.70 56.54 1iw4 n MET 3 Cb 0.47 -0.66 -0.10 0.00 0.00 0.00 0.00 33.22 32.92 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1iw4 n ASP 4 N -3.43 1.23 -4.60 7.83 2.03 -1.26 -4.93 116.55 113.41 1iw4 n ASP 4 Ca 0.08 0.86 -0.28 0.00 0.52 0.00 0.00 54.79 55.96 1iw4 n ASP 4 Cb 0.28 -0.96 -0.09 0.00 -0.72 0.00 0.00 41.12 39.63 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 n THR 6 N 0.34 1.22 -1.04 0.00 -1.04 -1.26 -4.69 114.28 107.82 1iw4 n THR 6 Ca -0.12 0.37 -0.02 0.00 -2.04 0.00 0.00 64.05 62.24 1iw4 n THR 6 Cb 0.54 -1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 67.78 1iw4 n THR 6 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1iw4 n GLU 7 N -1.75 0.01 0.00 -2.82 0.28 -1.26 -4.44 120.64 110.66 1iw4 n GLU 7 Ca 0.02 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1iw4 n GLU 7 Cb 0.12 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1iw4 n PHE 8 N 5.72 0.00 0.00 -1.84 1.16 -1.26 -5.10 117.46 116.14 1iw4 n PHE 8 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1iw4 n PHE 8 Cb 0.45 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 1iw4 n PHE 8 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1iw4 n ASN 9 N 0.00 0.00 -3.64 5.98 5.03 -1.26 -4.13 115.26 117.24 1iw4 n ASN 9 Ca 0.00 0.71 -0.42 0.00 0.87 0.00 0.00 54.58 55.74 1iw4 n ASN 9 Cb 0.00 -0.44 -0.03 0.00 -1.02 0.00 0.00 39.78 38.29 1iw4 n ASN 9 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1iw4 n PRO 10 N -1.81 2.20 -0.75 3.52 -0.04 -1.26 -4.96 135.00 131.90 1iw4 n PRO 10 Ca 0.00 -2.17 -0.31 0.00 -0.04 0.00 0.00 63.50 60.98 1iw4 n PRO 10 Cb 0.00 -3.05 0.12 0.00 -0.04 0.00 0.00 33.50 30.53 1iw4 n PRO 10 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1iw4 n LEU 11 N 6.58 -2.41 -1.46 1.53 -0.00 -1.26 -3.84 117.00 116.14 1iw4 n LEU 11 Ca 0.51 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1iw4 n LEU 11 Cb 0.38 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1iw4 n LEU 11 CO 0.96 -2.89 0.06 0.00 -0.00 0.00 0.00 177.39 175.52 1iw4 n ARG 13 N 1.12 2.11 -3.60 0.00 5.12 -1.25 -4.65 116.66 115.51 1iw4 n ARG 13 Ca 0.00 -2.11 -0.24 0.00 -1.93 0.00 0.00 57.85 53.57 1iw4 n ARG 13 Cb 0.03 -1.85 -0.16 0.00 -1.16 0.00 0.00 32.46 29.31 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw4 n ASN 15 N 5.29 1.84 -0.07 0.00 5.03 -1.26 -4.54 115.26 121.53 1iw4 n ASN 15 Ca -0.06 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.70 1iw4 n ASN 15 Cb 0.49 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.49 1iw4 n ASN 15 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1iw4 n LYS 16 N -4.18 0.00 -1.69 3.52 0.00 -1.26 -4.60 118.16 109.96 1iw4 n LYS 16 Ca -0.50 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.56 1iw4 n LYS 16 Cb 0.86 -0.02 -0.09 0.00 -0.00 0.00 0.00 35.03 35.78 1iw4 n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iw4 n MET 17 N 0.05 0.86 -2.69 -1.58 0.00 -1.26 -4.28 117.12 108.23 1iw4 n MET 17 Ca 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 57.70 55.64 1iw4 n MET 17 Cb 0.00 -3.68 0.10 0.00 0.00 0.00 0.00 33.22 29.64 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1iw4 n LEU 18 N 15.89 -1.60 0.00 3.17 -0.00 -1.26 -5.00 117.00 128.19 1iw4 n LEU 18 Ca 0.44 -2.50 0.00 0.00 -0.00 0.00 0.00 56.01 53.95 1iw4 n LEU 18 Cb 0.46 0.95 0.00 0.00 -0.00 0.00 0.00 43.42 44.83 1iw4 n LEU 18 CO 0.71 1.74 0.00 0.61 -0.00 0.00 0.00 177.39 180.45 1iw4 n GLY 19 N 0.38 -1.99 3.13 1.47 0.00 -1.26 -5.15 105.19 101.77 1iw4 n GLY 19 Ca -0.03 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.34 1iw4 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 20 N -2.01 -3.38 -2.69 1.61 9.92 -1.26 -5.02 116.55 113.71 1iw4 n ASP 20 Ca 0.00 -0.56 -0.06 0.00 -0.53 0.00 0.00 54.79 53.64 1iw4 n ASP 20 Cb 0.00 -0.90 0.08 0.00 -0.64 0.00 0.00 41.12 39.66 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1iw4 n LEU 21 N -3.30 -1.82 -4.89 0.64 7.94 -1.25 -4.61 117.00 109.71 1iw4 n LEU 21 Ca 0.08 -2.45 -0.29 0.00 -1.11 0.00 0.00 56.01 52.25 1iw4 n LEU 21 Cb 0.47 0.78 0.09 0.00 0.53 0.00 0.00 43.42 45.29 1iw4 n LEU 21 CO 0.33 1.76 0.78 -0.51 -1.11 0.00 0.00 177.39 178.64 1iw4 s ILE 22 N 0.26 2.20 -0.53 1.96 2.07 -0.95 -3.31 121.20 122.90 1iw4 s ILE 22 Ca 0.25 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.60 1iw4 s ILE 22 Cb 0.25 -3.05 0.14 0.00 0.13 0.00 0.00 42.46 39.92 1iw4 s ILE 22 CO -0.15 -0.09 0.30 0.00 -1.91 0.00 0.00 174.94 173.10 1iw4 s ALA 24 N -0.34 3.82 0.04 0.00 0.00 -0.76 -0.89 121.76 123.63 1iw4 s ALA 24 Ca 0.19 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1iw4 s ALA 24 Cb -0.20 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1iw4 s ALA 24 CO -0.04 0.65 -0.07 0.54 0.00 0.00 0.00 175.76 176.84 1iw4 s VAL 25 N -1.08 0.49 -0.38 0.00 0.11 0.19 0.30 120.40 120.02 1iw4 s VAL 25 Ca 0.18 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 1iw4 s VAL 25 Cb -0.12 -0.56 0.16 0.00 -1.53 0.00 0.00 36.38 34.33 1iw4 s VAL 25 CO 0.07 -0.37 0.35 0.27 -3.33 0.00 0.00 175.10 172.09 1iw4 s ILE 26 N -1.32 -0.13 0.00 7.04 -0.00 -0.81 -2.67 121.20 123.30 1iw4 s ILE 26 Ca -0.10 -1.48 0.00 0.00 -0.00 0.00 0.00 60.65 59.07 1iw4 s ILE 26 Cb -0.10 -0.84 0.00 0.00 -0.00 0.00 0.00 42.46 41.52 1iw4 s ILE 26 CO 0.00 -0.77 0.00 0.61 -0.00 0.00 0.00 174.94 174.78 1iw4 n GLY 27 N 3.85 0.78 0.77 6.27 0.00 -1.26 -2.16 105.19 113.45 1iw4 n GLY 27 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1iw4 n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iw4 n ASP 28 N 1.96 -0.17 -3.72 1.61 2.03 -1.26 -5.02 116.55 111.98 1iw4 n ASP 28 Ca 0.00 -1.59 -0.28 0.00 0.52 0.00 0.00 54.79 53.44 1iw4 n ASP 28 Cb 0.00 0.02 -0.12 0.00 -0.72 0.00 0.00 41.12 40.30 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 s ALA 29 N 0.00 2.82 -0.32 -1.67 0.00 -0.92 -5.08 121.76 116.60 1iw4 s ALA 29 Ca 0.04 -3.21 -0.14 0.00 0.00 0.00 0.00 51.96 48.65 1iw4 s ALA 29 Cb 0.05 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1iw4 s ALA 29 CO -0.02 -2.05 0.33 0.21 0.00 0.00 0.00 175.76 174.22 1iw4 s LYS 30 N -0.67 3.71 0.04 0.00 2.36 -1.26 -1.93 119.74 121.99 1iw4 s LYS 30 Ca 0.26 -0.33 -0.21 0.00 -2.55 0.00 0.00 55.97 53.14 1iw4 s LYS 30 Cb -0.06 -3.75 0.05 0.00 -1.05 0.00 0.00 37.83 33.01 1iw4 s LYS 30 CO -0.14 -0.41 0.47 -2.00 1.55 0.00 0.00 175.35 174.82 1iw4 s GLU 31 N 1.96 0.98 0.51 4.03 -6.30 0.15 -4.97 118.70 115.06 1iw4 s GLU 31 Ca 0.11 -0.28 -0.17 0.00 -2.50 0.00 0.00 54.97 52.13 1iw4 s GLU 31 Cb -0.16 0.45 -0.08 0.00 0.00 0.00 0.00 34.13 34.33 1iw4 s GLU 31 CO 0.11 -0.35 0.99 -1.21 0.02 0.00 0.00 175.26 174.82 1iw4 s GLU 32 N -2.43 3.92 -0.03 4.30 8.01 -1.26 -1.82 118.70 129.39 1iw4 s GLU 32 Ca -0.05 1.00 -0.00 0.00 0.01 0.00 0.00 54.97 55.92 1iw4 s GLU 32 Cb -0.01 -2.13 0.03 0.00 -4.31 0.00 0.00 34.13 27.71 1iw4 s GLU 32 CO -0.02 -0.30 0.03 -1.01 0.01 0.00 0.00 175.26 173.97 1iw4 s HIS 33 N -2.56 0.09 -0.11 1.61 3.76 -1.13 -4.91 115.29 112.03 1iw4 s HIS 33 Ca 0.60 0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 55.54 1iw4 s HIS 33 Cb -0.10 -0.31 -0.08 0.00 1.11 0.00 0.00 32.58 33.19 1iw4 s HIS 33 CO 0.30 -0.12 0.24 0.00 -0.85 0.00 0.00 174.74 174.31 1iw4 h ARG 34 N 7.48 -0.00 -3.43 1.40 2.47 -1.91 -2.52 114.38 117.87 1iw4 h ARG 34 Ca -0.40 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.64 1iw4 h ARG 34 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1iw4 h ARG 34 CO 0.42 0.31 3.55 0.09 0.56 0.00 0.00 179.97 184.90 1iw4 n ASN 35 N -4.73 6.69 -0.47 7.04 5.03 -1.26 -4.30 115.26 123.26 1iw4 n ASN 35 Ca -0.03 -2.68 0.42 0.00 0.87 0.00 0.00 54.58 53.16 1iw4 n ASN 35 Cb 0.15 -1.59 0.78 0.00 -1.02 0.00 0.00 39.78 38.09 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1iw4 h MET 36 N 5.44 0.00 -0.18 3.52 1.85 -1.92 0.85 114.93 124.49 1iw4 h MET 36 Ca 0.75 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.74 1iw4 h MET 36 Cb 0.43 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 1iw4 h MET 36 CO 1.83 0.00 -0.25 0.00 -0.40 0.00 0.00 176.91 178.09 1iw4 h ALA 38 N 0.61 2.40 -0.00 0.00 0.00 0.48 0.34 119.26 123.09 1iw4 h ALA 38 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1iw4 h ALA 38 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1iw4 h ALA 38 CO 0.06 -0.77 -0.24 1.25 0.00 0.00 0.00 179.25 179.55 1iw4 h LEU 39 N 0.00 0.21 -1.53 0.00 5.85 -1.12 0.66 115.31 119.39 1iw4 h LEU 39 Ca 0.27 -0.77 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1iw4 h LEU 39 Cb 1.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1iw4 h LEU 39 CO -0.00 0.96 -0.24 0.00 -0.34 0.00 0.00 178.44 178.81 1iw4 n GLU 42 N -3.32 2.21 -2.24 0.00 2.13 0.22 -5.01 120.64 114.63 1iw4 n GLU 42 Ca -0.21 -3.01 -0.27 0.00 0.66 0.00 0.00 57.16 54.33 1iw4 n GLU 42 Cb 1.05 -1.80 0.05 0.00 0.27 0.00 0.00 31.44 31.00 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1iw4 s HIS 43 N -3.06 3.09 -0.00 4.31 -3.43 0.21 -4.90 115.29 111.50 1iw4 s HIS 43 Ca 0.43 0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 55.25 1iw4 s HIS 43 Cb 0.37 -3.01 -0.01 0.00 -1.43 0.00 0.00 32.58 28.50 1iw4 s HIS 43 CO 0.03 -1.17 0.52 -1.35 -2.00 0.00 0.00 174.74 170.78 1iw4 h PRO 44 N -0.45 -0.09 0.00 -0.38 0.11 -1.96 -3.42 132.00 125.80 1iw4 h PRO 44 Ca -0.45 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1iw4 h PRO 44 Cb 1.29 0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.11 1iw4 h PRO 44 CO 0.61 -0.06 -0.91 0.41 -0.21 0.00 0.00 178.00 177.84 1iw4 n GLY 45 N 0.49 1.60 0.00 -0.55 0.00 -1.26 -5.01 105.19 100.46 1iw4 n GLY 45 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1iw4 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iw4 n GLY 46 N 0.21 0.77 3.58 -0.02 0.00 -1.26 -5.06 105.19 103.41 1iw4 n GLY 46 Ca 0.08 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1iw4 n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iw4 n PHE 47 N 0.00 0.96 -3.22 1.61 3.01 -1.26 -4.88 117.46 113.67 1iw4 n PHE 47 Ca 0.00 0.61 -0.46 0.00 1.01 0.00 0.00 57.45 58.61 1iw4 n PHE 47 Cb 0.00 -2.20 -0.04 0.00 -0.01 0.00 0.00 39.48 37.23 1iw4 n PHE 47 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iw4 s GLU 48 N -1.81 3.20 0.26 -1.08 2.12 -1.09 -4.60 118.70 115.69 1iw4 s GLU 48 Ca 0.62 -1.77 0.10 0.00 0.36 0.00 0.00 54.97 54.28 1iw4 s GLU 48 Cb -0.61 -4.37 -0.04 0.00 0.26 0.00 0.00 34.13 29.37 1iw4 s GLU 48 CO 0.58 -1.42 -0.07 1.52 -0.54 0.00 0.00 175.26 175.32 1iw4 s TYR 49 N 1.70 2.57 -0.28 5.30 -0.85 -1.11 0.53 117.35 125.20 1iw4 s TYR 49 Ca 0.11 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.38 1iw4 s TYR 49 Cb -0.22 -1.15 0.10 0.00 0.38 0.00 0.00 41.96 41.08 1iw4 s TYR 49 CO 0.00 0.64 0.12 -1.54 -1.52 0.00 0.00 175.55 173.25 1iw4 s SER 50 N -3.53 3.57 0.11 -0.18 1.04 -0.07 -3.52 113.70 111.13 1iw4 s SER 50 Ca 0.30 -1.32 -0.35 0.00 0.48 0.00 0.00 55.95 55.06 1iw4 s SER 50 Cb -0.06 -0.48 -0.15 0.00 0.10 0.00 0.00 66.02 65.43 1iw4 s SER 50 CO 0.18 -0.42 1.54 0.59 0.98 0.00 0.00 173.24 176.10 1iw4 n ASN 51 N 5.14 2.70 0.00 7.02 4.13 -1.26 -2.09 115.26 130.90 1iw4 n ASN 51 Ca -0.05 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.29 1iw4 n ASN 51 Cb 0.43 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iw4 n GLY 52 N 3.26 4.51 3.26 7.41 0.00 -1.21 -4.92 105.19 117.50 1iw4 n GLY 52 Ca 0.18 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1iw4 n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iw4 n PRO 53 N -1.88 1.62 -0.00 1.61 -0.04 -1.25 -4.33 135.00 130.73 1iw4 n PRO 53 Ca 0.00 -2.11 0.03 0.00 -0.04 0.00 0.00 63.50 61.38 1iw4 n PRO 53 Cb 0.00 -3.21 -0.04 0.00 -0.04 0.00 0.00 33.50 30.21 1iw4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46