#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw4 n HIS 2 N 0.00 1.99 -3.15 0.00 1.44 -1.26 -3.28 115.22 110.97 1iw4 n HIS 2 Ca 0.00 -1.66 0.05 0.00 -2.01 0.00 0.00 57.72 54.10 1iw4 n HIS 2 Cb 0.00 -1.89 -0.01 0.00 0.12 0.00 0.00 29.99 28.22 1iw4 n HIS 2 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1iw4 s MET 3 N 5.46 0.26 0.00 -1.40 -2.45 -1.26 -4.81 119.30 115.09 1iw4 s MET 3 Ca 0.61 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 55.37 1iw4 s MET 3 Cb 0.11 0.16 0.00 0.00 1.25 0.00 0.00 34.83 36.35 1iw4 s MET 3 CO 0.13 -0.41 0.00 -3.47 1.05 0.00 0.00 175.02 172.32 1iw4 n ASP 4 N 5.29 0.00 -4.61 1.11 -0.08 -1.26 -5.04 116.55 111.96 1iw4 n ASP 4 Ca 0.03 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.06 1iw4 n ASP 4 Cb 0.55 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.13 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iw4 n THR 6 N -3.07 0.00 0.00 0.00 5.66 -1.26 -5.03 114.28 110.57 1iw4 n THR 6 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1iw4 n THR 6 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1iw4 n THR 6 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1iw4 n GLU 7 N 0.00 0.00 -1.02 1.09 -0.00 -1.26 -5.16 120.64 114.28 1iw4 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1iw4 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1iw4 n PHE 8 N 0.00 -0.09 0.05 -1.84 3.72 -1.26 -5.07 117.46 112.97 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1iw4 n PHE 8 Cb 0.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1iw4 h ASN 9 N 0.00 -0.14 -0.06 4.37 2.35 -2.07 -3.36 115.58 116.66 1iw4 h ASN 9 Ca 0.00 -0.36 -0.56 0.00 -0.55 0.00 0.00 56.30 54.83 1iw4 h ASN 9 Cb 0.00 0.04 0.06 0.00 0.05 0.00 0.00 38.32 38.47 1iw4 h ASN 9 CO 0.00 0.32 1.76 -0.81 -1.65 0.00 0.00 177.43 177.04 1iw4 n PRO 10 N -4.95 1.02 -0.02 0.81 -0.04 -1.26 -4.91 135.00 125.64 1iw4 n PRO 10 Ca -0.09 -1.68 -0.01 0.00 -0.04 0.00 0.00 63.50 61.68 1iw4 n PRO 10 Cb 0.25 -2.96 0.01 0.00 -0.04 0.00 0.00 33.50 30.76 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 9.49 0.00 0.00 1.53 -0.00 -1.26 -3.92 117.00 122.85 1iw4 n LEU 11 Ca 0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1iw4 n LEU 11 Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1iw4 n LEU 11 CO 1.01 -1.45 0.00 0.00 -0.00 0.00 0.00 177.39 176.95 1iw4 n ARG 13 N 0.00 1.02 -2.77 0.00 5.12 -1.25 -4.69 116.66 114.09 1iw4 n ARG 13 Ca 0.00 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.77 1iw4 n ARG 13 Cb 0.00 -1.02 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 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 -1.21 -1.47 0.00 0.00 4.13 -1.26 -4.86 115.26 110.59 1iw4 n ASN 15 Ca -0.05 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1iw4 n ASN 15 Cb 0.19 1.68 0.00 0.00 -1.54 0.00 0.00 39.78 40.11 1iw4 n ASN 15 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1iw4 n LYS 16 N -2.82 0.00 -1.07 3.52 0.00 -1.26 -4.57 118.16 111.96 1iw4 n LYS 16 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 1iw4 n LYS 16 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 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 0.00 2.28 -2.69 1.64 0.00 -1.26 -4.02 117.12 113.07 1iw4 n MET 17 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 57.70 55.82 1iw4 n MET 17 Cb 0.00 -2.74 0.09 0.00 0.00 0.00 0.00 33.22 30.57 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 5.26 -1.68 0.00 3.17 -0.00 -1.26 -4.81 117.00 117.68 1iw4 n LEU 18 Ca 0.52 -2.42 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 1iw4 n LEU 18 Cb 0.26 0.87 0.00 0.00 -0.00 0.00 0.00 43.42 44.54 1iw4 n LEU 18 CO 0.85 1.74 0.00 0.61 -0.00 0.00 0.00 177.39 180.59 1iw4 n GLY 19 N 0.80 -1.63 3.63 1.47 0.00 -1.26 -5.14 105.19 103.07 1iw4 n GLY 19 Ca 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 1iw4 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iw4 s ASP 20 N 2.00 1.94 -0.26 1.61 1.01 -1.26 -5.06 116.67 116.65 1iw4 s ASP 20 Ca 0.00 1.05 -0.03 0.00 0.71 0.00 0.00 52.55 54.28 1iw4 s ASP 20 Cb 0.00 -1.63 0.09 0.00 1.01 0.00 0.00 42.92 42.39 1iw4 s ASP 20 CO 0.00 -3.54 0.10 -1.48 0.21 0.00 0.00 175.17 170.46 1iw4 s LEU 21 N -6.68 0.98 0.14 1.23 2.34 -1.26 -4.35 118.68 111.08 1iw4 s LEU 21 Ca 0.67 -1.19 0.03 0.00 0.06 0.00 0.00 54.13 53.70 1iw4 s LEU 21 Cb -0.17 -0.48 -0.04 0.00 -0.56 0.00 0.00 46.19 44.94 1iw4 s LEU 21 CO 0.58 -0.40 0.24 -0.51 -1.06 0.00 0.00 176.35 175.20 1iw4 s ILE 22 N 1.96 5.15 -0.55 1.48 -1.16 0.15 -0.03 121.20 128.21 1iw4 s ILE 22 Ca 0.07 -0.73 0.03 0.00 -0.51 0.00 0.00 60.65 59.50 1iw4 s ILE 22 Cb -0.16 -3.63 0.14 0.00 0.61 0.00 0.00 42.46 39.41 1iw4 s ILE 22 CO -0.25 -0.07 0.31 0.00 -2.81 0.00 0.00 174.94 172.12 1iw4 s ALA 24 N -0.30 3.72 0.03 0.00 0.00 -0.81 -0.84 121.76 123.55 1iw4 s ALA 24 Ca 0.17 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1iw4 s ALA 24 Cb -0.24 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1iw4 s ALA 24 CO -0.01 0.56 -0.05 0.54 0.00 0.00 0.00 175.76 176.80 1iw4 s VAL 25 N -1.41 0.31 -0.37 0.00 0.11 0.18 0.57 120.40 119.78 1iw4 s VAL 25 Ca 0.34 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 1iw4 s VAL 25 Cb -0.14 -0.48 0.15 0.00 -1.53 0.00 0.00 36.38 34.38 1iw4 s VAL 25 CO 0.18 -0.48 0.30 0.27 -3.33 0.00 0.00 175.10 172.04 1iw4 s ILE 26 N -1.57 0.02 0.00 7.04 -0.00 -0.84 -2.52 121.20 123.33 1iw4 s ILE 26 Ca -0.12 -1.71 0.00 0.00 -0.00 0.00 0.00 60.65 58.82 1iw4 s ILE 26 Cb -0.09 -0.99 0.00 0.00 -0.00 0.00 0.00 42.46 41.38 1iw4 s ILE 26 CO -0.01 -0.91 0.00 0.61 -0.00 0.00 0.00 174.94 174.63 1iw4 n GLY 27 N 3.79 0.79 0.77 6.27 0.00 -1.26 -2.12 105.19 113.43 1iw4 n GLY 27 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1iw4 n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iw4 n ASP 28 N 1.98 -0.21 -3.77 1.61 5.68 -1.26 -5.02 116.55 115.57 1iw4 n ASP 28 Ca 0.00 -1.57 -0.28 0.00 -0.50 0.00 0.00 54.79 52.44 1iw4 n ASP 28 Cb 0.00 0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 39.90 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iw4 s ALA 29 N 0.00 3.17 -0.40 2.12 0.00 -0.90 -5.07 121.76 120.68 1iw4 s ALA 29 Ca 0.04 -3.47 -0.20 0.00 0.00 0.00 0.00 51.96 48.33 1iw4 s ALA 29 Cb 0.04 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1iw4 s ALA 29 CO -0.02 -2.06 0.58 0.21 0.00 0.00 0.00 175.76 174.47 1iw4 s LYS 30 N -1.05 3.39 -0.08 0.00 2.36 -1.26 -1.99 119.74 121.11 1iw4 s LYS 30 Ca 0.27 -0.32 -0.07 0.00 -2.55 0.00 0.00 55.97 53.30 1iw4 s LYS 30 Cb -0.02 -3.90 0.02 0.00 -1.05 0.00 0.00 37.83 32.88 1iw4 s LYS 30 CO -0.17 -0.86 0.22 -1.83 1.55 0.00 0.00 175.35 174.26 1iw4 s GLU 31 N 2.60 0.24 1.08 4.03 -1.05 0.19 -4.97 118.70 120.83 1iw4 s GLU 31 Ca 0.20 0.33 -0.15 0.00 -0.15 0.00 0.00 54.97 55.20 1iw4 s GLU 31 Cb -0.15 0.08 0.23 0.00 -0.44 0.00 0.00 34.13 33.85 1iw4 s GLU 31 CO 0.16 -0.05 1.10 -1.21 0.95 0.00 0.00 175.26 176.21 1iw4 s GLU 32 N 0.28 -0.25 0.10 -4.83 2.02 -1.26 -1.93 118.70 112.83 1iw4 s GLU 32 Ca -0.01 0.27 -0.25 0.00 0.02 0.00 0.00 54.97 54.99 1iw4 s GLU 32 Cb -0.03 -1.68 0.07 0.00 0.10 0.00 0.00 34.13 32.59 1iw4 s GLU 32 CO -0.01 -3.14 0.63 -1.58 0.02 0.00 0.00 175.26 171.18 1iw4 s HIS 33 N -2.99 -0.57 -0.17 1.61 2.46 0.76 -4.77 115.29 111.61 1iw4 s HIS 33 Ca 0.68 0.53 -0.16 0.00 0.47 0.00 0.00 55.06 56.58 1iw4 s HIS 33 Cb -0.15 0.52 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 1iw4 s HIS 33 CO 0.57 -0.78 -0.31 0.54 -2.47 0.00 0.00 174.74 172.29 1iw4 n ARG 34 N -0.04 0.51 -1.70 2.88 5.12 -1.26 0.33 116.66 122.51 1iw4 n ARG 34 Ca -0.17 0.29 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 1iw4 n ARG 34 Cb 0.63 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1iw4 n ARG 34 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1iw4 n ASN 35 N -4.50 4.09 0.30 0.55 4.05 -1.26 -4.36 115.26 114.13 1iw4 n ASN 35 Ca -0.12 -2.82 0.17 0.00 0.45 0.00 0.00 54.58 52.25 1iw4 n ASN 35 Cb 0.46 -1.64 0.89 0.00 1.23 0.00 0.00 39.78 40.71 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1iw4 h MET 36 N 5.99 0.00 0.01 1.20 1.85 -1.93 -1.54 114.93 120.51 1iw4 h MET 36 Ca 0.58 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.67 1iw4 h MET 36 Cb 0.62 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.65 1iw4 h MET 36 CO 1.89 0.00 -0.01 0.00 -0.40 0.00 0.00 176.91 178.39 1iw4 h ALA 38 N 0.28 1.00 0.19 0.00 0.00 -1.57 -2.46 119.26 116.70 1iw4 h ALA 38 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1iw4 h ALA 38 Cb 0.66 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.48 1iw4 h ALA 38 CO 0.00 0.00 -1.12 -0.07 0.00 0.00 0.00 179.25 178.06 1iw4 h LEU 39 N 0.00 0.64 -0.86 0.00 4.07 -1.37 -1.92 115.31 115.86 1iw4 h LEU 39 Ca 0.00 -0.94 -0.09 0.00 0.08 0.00 0.00 57.88 56.93 1iw4 h LEU 39 Cb 0.26 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1iw4 h LEU 39 CO 0.00 1.54 -0.09 0.00 -1.08 0.00 0.00 178.44 178.81 1iw4 n GLU 42 N -3.83 0.10 -3.83 0.00 2.13 -0.72 -4.86 120.64 109.62 1iw4 n GLU 42 Ca -0.12 -0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.48 1iw4 n GLU 42 Cb 0.91 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 31.08 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1iw4 s HIS 43 N -2.90 2.70 -0.58 4.31 3.76 0.44 -5.03 115.29 117.99 1iw4 s HIS 43 Ca 0.17 -0.48 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 1iw4 s HIS 43 Cb 0.19 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1iw4 s HIS 43 CO 0.52 0.07 1.75 -2.14 -0.85 0.00 0.00 174.74 174.09 1iw4 s PRO 44 N -4.01 2.83 -1.62 8.40 0.02 -1.26 -3.20 135.00 136.16 1iw4 s PRO 44 Ca 0.44 0.61 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1iw4 s PRO 44 Cb -0.01 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1iw4 s PRO 44 CO 0.25 -2.49 0.00 0.41 -0.33 0.00 0.00 177.00 174.84 1iw4 n GLY 45 N 5.59 1.06 0.58 0.52 0.00 -1.26 -4.21 105.19 107.47 1iw4 n GLY 45 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.43 -1.23 3.23 -0.02 0.00 -1.15 -4.64 105.19 100.95 1iw4 n GLY 46 Ca -0.17 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 1.26 -1.70 -2.56 1.61 3.01 -1.26 -4.35 117.46 113.48 1iw4 n PHE 47 Ca 0.00 0.25 -0.41 0.00 1.01 0.00 0.00 57.45 58.30 1iw4 n PHE 47 Cb 0.00 -1.56 -0.02 0.00 -0.01 0.00 0.00 39.48 37.89 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 -3.08 3.66 0.33 -1.08 2.12 -1.05 -4.03 118.70 115.57 1iw4 s GLU 48 Ca 0.51 -1.30 0.08 0.00 0.36 0.00 0.00 54.97 54.62 1iw4 s GLU 48 Cb -0.09 -5.39 -0.03 0.00 0.26 0.00 0.00 34.13 28.87 1iw4 s GLU 48 CO 0.68 -2.24 0.23 1.52 -0.54 0.00 0.00 175.26 174.90 1iw4 s TYR 49 N 4.90 2.84 -0.28 5.30 -0.85 -1.20 0.48 117.35 128.54 1iw4 s TYR 49 Ca 0.48 -0.32 -0.02 0.00 -0.52 0.00 0.00 57.07 56.69 1iw4 s TYR 49 Cb 0.01 -1.71 0.12 0.00 0.38 0.00 0.00 41.96 40.76 1iw4 s TYR 49 CO -0.06 0.27 0.25 -1.54 -1.52 0.00 0.00 175.55 172.95 1iw4 s SER 50 N -3.92 2.02 0.12 -0.18 1.04 -0.02 0.11 113.70 112.87 1iw4 s SER 50 Ca 0.39 -0.80 -0.35 0.00 0.48 0.00 0.00 55.95 55.68 1iw4 s SER 50 Cb -0.05 0.32 -0.17 0.00 0.10 0.00 0.00 66.02 66.22 1iw4 s SER 50 CO 0.25 -0.39 1.11 0.59 0.98 0.00 0.00 173.24 175.77 1iw4 n ASN 51 N 5.30 0.82 0.00 7.02 5.03 -1.26 -2.21 115.26 129.96 1iw4 n ASN 51 Ca -0.03 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.56 1iw4 n ASN 51 Cb 0.46 -1.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.10 1iw4 n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iw4 n GLY 52 N 1.99 0.86 3.64 7.41 0.00 0.96 -4.86 105.19 115.19 1iw4 n GLY 52 Ca 0.17 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 1iw4 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iw4 s PRO 53 N -1.02 0.30 0.00 1.61 0.04 -1.26 -3.98 135.00 130.69 1iw4 s PRO 53 Ca 0.00 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1iw4 s PRO 53 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1iw4 s PRO 53 CO 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 177.00 174.17