#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 2.71 -2.92 0.00 -0.00 -1.26 -4.98 115.22 108.77 1iw4 n HIS 2 Ca 0.00 -2.64 -0.40 0.00 -0.00 0.00 0.00 57.72 54.68 1iw4 n HIS 2 Cb 0.00 -1.39 -0.05 0.00 -0.00 0.00 0.00 29.99 28.55 1iw4 n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iw4 s MET 3 N -3.34 4.55 -0.51 -0.41 0.00 -1.15 -1.59 119.30 116.85 1iw4 s MET 3 Ca 0.43 1.16 0.07 0.00 0.00 0.00 0.00 55.69 57.35 1iw4 s MET 3 Cb 0.19 -3.36 0.20 0.00 0.00 0.00 0.00 34.83 31.86 1iw4 s MET 3 CO -0.11 0.30 0.76 -0.25 0.00 0.00 0.00 175.02 175.71 1iw4 n ASP 4 N 2.67 -3.27 -2.58 -1.18 8.00 -1.26 -5.02 116.55 113.92 1iw4 n ASP 4 Ca -0.02 -3.00 -0.09 0.00 0.71 0.00 0.00 54.79 52.40 1iw4 n ASP 4 Cb 0.50 1.72 0.06 0.00 -0.02 0.00 0.00 41.12 43.38 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 n THR 6 N -2.58 0.00 0.00 0.00 5.66 -1.26 -5.02 114.28 111.08 1iw4 n THR 6 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1iw4 n THR 6 Cb 0.17 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.11 1.09 -0.00 -1.26 -5.16 120.64 113.19 1iw4 n GLU 7 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.15 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 -0.05 0.06 -1.84 3.72 -1.26 -5.07 117.46 113.01 1iw4 n PHE 8 Ca 0.00 -0.15 -0.12 0.00 -0.05 0.00 0.00 57.45 57.12 1iw4 n PHE 8 Cb 0.00 0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.11 -0.17 -0.69 4.37 2.35 -2.07 -3.38 115.58 116.11 1iw4 h ASN 9 Ca -0.01 -0.34 -0.41 0.00 -0.55 0.00 0.00 56.30 54.99 1iw4 h ASN 9 Cb 0.07 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 1iw4 h ASN 9 CO 0.02 0.29 1.19 -2.16 -1.65 0.00 0.00 177.43 175.12 1iw4 s PRO 10 N -4.17 2.88 0.00 0.81 0.04 -1.26 -4.96 135.00 128.34 1iw4 s PRO 10 Ca -0.14 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 59.89 1iw4 s PRO 10 Cb 0.02 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1iw4 s PRO 10 CO 0.57 -3.31 0.00 1.47 0.04 0.00 0.00 177.00 175.77 1iw4 n LEU 11 N 12.67 0.00 0.00 -3.56 -0.00 -1.26 -3.90 117.00 120.95 1iw4 n LEU 11 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1iw4 n LEU 11 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1iw4 n LEU 11 CO 0.66 -1.29 0.00 0.00 -0.00 0.00 0.00 177.39 176.76 1iw4 n ARG 13 N 0.00 2.71 -3.60 0.00 3.00 -1.25 -4.54 116.66 112.98 1iw4 n ARG 13 Ca 0.00 -3.36 -0.27 0.00 -0.00 0.00 0.00 57.85 54.22 1iw4 n ARG 13 Cb 0.00 -2.28 -0.17 0.00 0.00 0.00 0.00 32.46 30.01 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iw4 n ASN 15 N 5.27 2.05 -0.47 0.00 4.13 -1.26 -4.56 115.26 120.42 1iw4 n ASN 15 Ca -0.07 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1iw4 n ASN 15 Cb 0.48 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 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 -3.69 0.00 -0.57 3.52 3.00 -1.26 -4.57 118.16 114.59 1iw4 n LYS 16 Ca -0.34 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.69 1iw4 n LYS 16 Cb 0.96 -0.13 -0.05 0.00 0.00 0.00 0.00 35.03 35.80 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 0.34 0.75 -3.15 1.64 0.00 -1.26 -4.49 117.12 110.95 1iw4 n MET 17 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 57.70 56.60 1iw4 n MET 17 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 33.22 30.75 1iw4 n MET 17 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 1iw4 s LEU 18 N 0.30 -0.63 0.00 3.17 2.34 -1.26 -4.96 118.68 117.64 1iw4 s LEU 18 Ca 0.42 0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.93 1iw4 s LEU 18 Cb 0.10 1.49 0.00 0.00 -0.56 0.00 0.00 46.19 47.22 1iw4 s LEU 18 CO 0.13 -0.12 0.00 0.61 -1.06 0.00 0.00 176.35 175.91 1iw4 n GLY 19 N 5.41 -0.52 3.30 -3.48 0.00 -1.26 -5.14 105.19 103.49 1iw4 n GLY 19 Ca -0.03 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -3.26 -3.41 1.61 9.92 -1.26 -5.04 116.55 115.10 1iw4 n ASP 20 Ca 0.00 -0.59 -0.17 0.00 -0.53 0.00 0.00 54.79 53.50 1iw4 n ASP 20 Cb 0.00 -1.08 -0.10 0.00 -0.64 0.00 0.00 41.12 39.30 1iw4 n ASP 20 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1iw4 s LEU 21 N -7.17 -0.24 0.41 0.64 0.05 -1.26 -4.73 118.68 106.38 1iw4 s LEU 21 Ca 0.66 -0.67 -0.08 0.00 0.05 0.00 0.00 54.13 54.10 1iw4 s LEU 21 Cb -0.17 0.52 -0.05 0.00 -2.05 0.00 0.00 46.19 44.44 1iw4 s LEU 21 CO 0.59 -0.38 0.74 -0.51 -0.55 0.00 0.00 176.35 176.25 1iw4 s ILE 22 N 2.37 4.87 -0.46 1.48 -1.16 -1.09 -0.66 121.20 126.54 1iw4 s ILE 22 Ca 0.09 0.38 0.04 0.00 -0.51 0.00 0.00 60.65 60.65 1iw4 s ILE 22 Cb -0.14 -3.78 0.12 0.00 0.61 0.00 0.00 42.46 39.27 1iw4 s ILE 22 CO -0.30 -0.61 0.19 0.00 -2.81 0.00 0.00 174.94 171.41 1iw4 s ALA 24 N 0.18 3.02 -0.18 0.00 0.00 0.88 -2.00 121.76 123.66 1iw4 s ALA 24 Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1iw4 s ALA 24 Cb -0.23 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1iw4 s ALA 24 CO -0.03 -0.74 0.69 0.08 0.00 0.00 0.00 175.76 175.75 1iw4 s VAL 25 N -3.10 0.00 0.35 0.00 1.01 -0.10 -1.11 120.40 117.46 1iw4 s VAL 25 Ca 0.56 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 1iw4 s VAL 25 Cb -0.12 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.34 1iw4 s VAL 25 CO 0.52 -0.00 0.77 0.00 0.00 0.00 0.00 175.10 176.39 1iw4 n ILE 26 N 1.99 0.00 -0.21 2.22 0.13 -0.01 -2.29 119.36 121.19 1iw4 n ILE 26 Ca -0.16 -0.90 0.19 0.00 -1.10 0.00 0.00 62.75 60.79 1iw4 n ILE 26 Cb 0.56 0.92 0.34 0.00 -0.84 0.00 0.00 39.64 40.61 1iw4 n ILE 26 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1iw4 n GLY 27 N -0.52 -0.42 1.43 4.50 0.00 -1.26 -1.86 105.19 107.06 1iw4 n GLY 27 Ca -0.08 0.42 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.96 -1.09 -3.58 1.61 2.03 -1.26 -5.05 116.55 105.25 1iw4 n ASP 28 Ca 0.21 -2.06 -0.28 0.00 0.52 0.00 0.00 54.79 53.18 1iw4 n ASP 28 Cb 0.76 0.39 -0.11 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.02 2.01 -0.53 -1.67 0.00 -0.78 -5.05 121.76 115.77 1iw4 s ALA 29 Ca 0.03 -2.70 -0.00 0.00 0.00 0.00 0.00 51.96 49.29 1iw4 s ALA 29 Cb 0.12 -1.78 0.14 0.00 0.00 0.00 0.00 23.12 21.59 1iw4 s ALA 29 CO -0.03 -2.04 0.31 -1.59 0.00 0.00 0.00 175.76 172.41 1iw4 s LYS 30 N -0.06 2.19 0.35 0.00 0.00 -1.26 -0.83 119.74 120.14 1iw4 s LYS 30 Ca 0.26 -2.36 -0.11 0.00 0.00 0.00 0.00 55.97 53.76 1iw4 s LYS 30 Cb -0.08 -3.54 0.03 0.00 0.00 0.00 0.00 37.83 34.24 1iw4 s LYS 30 CO -0.12 -1.11 0.65 -1.83 0.00 0.00 0.00 175.35 172.93 1iw4 s GLU 31 N 0.19 2.04 0.63 1.78 -1.05 -0.27 -4.95 118.70 117.07 1iw4 s GLU 31 Ca 0.15 -1.51 -0.10 0.00 -0.15 0.00 0.00 54.97 53.35 1iw4 s GLU 31 Cb -0.22 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1iw4 s GLU 31 CO -0.03 -0.91 1.01 -2.00 0.95 0.00 0.00 175.26 174.28 1iw4 s GLU 32 N -2.81 3.34 -0.26 -4.83 -6.30 -1.26 -0.09 118.70 106.49 1iw4 s GLU 32 Ca 0.21 0.56 -0.12 0.00 -2.50 0.00 0.00 54.97 53.12 1iw4 s GLU 32 Cb -0.03 -2.11 0.10 0.00 0.00 0.00 0.00 34.13 32.08 1iw4 s GLU 32 CO 0.14 -0.66 0.61 -1.58 0.02 0.00 0.00 175.26 173.78 1iw4 s HIS 33 N -3.17 -1.08 -0.14 5.30 2.46 -0.77 -4.82 115.29 113.09 1iw4 s HIS 33 Ca 0.55 2.03 -0.29 0.00 0.47 0.00 0.00 55.06 57.81 1iw4 s HIS 33 Cb -0.11 0.61 -0.26 0.00 -0.13 0.00 0.00 32.58 32.69 1iw4 s HIS 33 CO 0.52 -0.55 0.78 -0.09 -2.47 0.00 0.00 174.74 172.92 1iw4 h ARG 34 N 7.53 0.00 -2.91 2.88 1.12 -1.87 -2.89 114.38 118.24 1iw4 h ARG 34 Ca -0.25 -0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 58.03 1iw4 h ARG 34 Cb 1.16 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.14 1iw4 h ARG 34 CO 0.15 0.99 3.27 0.09 -3.11 0.00 0.00 179.97 181.36 1iw4 n ASN 35 N -4.61 8.07 0.05 -3.80 5.03 -1.26 -4.61 115.26 114.13 1iw4 n ASN 35 Ca -0.10 -2.54 0.21 0.00 0.87 0.00 0.00 54.58 53.02 1iw4 n ASN 35 Cb 0.48 -1.50 0.74 0.00 -1.02 0.00 0.00 39.78 38.47 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 4.86 0.00 0.29 3.52 4.05 -1.92 -2.53 114.93 123.20 1iw4 h MET 36 Ca 0.77 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.17 1iw4 h MET 36 Cb 0.42 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1iw4 h MET 36 CO 1.58 0.00 -0.14 0.00 0.23 0.00 0.00 176.91 178.58 1iw4 h ALA 38 N -1.82 2.37 -0.05 0.00 0.00 -1.70 0.14 119.26 118.20 1iw4 h ALA 38 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1iw4 h ALA 38 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1iw4 h ALA 38 CO 0.07 -0.92 -0.13 -0.07 0.00 0.00 0.00 179.25 178.20 1iw4 h LEU 39 N 0.00 0.21 -0.88 0.00 4.07 -1.19 0.23 115.31 117.75 1iw4 h LEU 39 Ca 0.28 -0.59 -0.09 0.00 0.08 0.00 0.00 57.88 57.56 1iw4 h LEU 39 Cb 1.50 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.16 1iw4 h LEU 39 CO -0.00 0.76 -0.13 0.00 -1.08 0.00 0.00 178.44 177.99 1iw4 h GLU 42 N 0.15 0.09 -7.62 0.00 4.57 -0.43 -3.46 114.58 107.88 1iw4 h GLU 42 Ca -0.18 -0.16 -0.47 0.00 -1.18 0.00 0.00 59.36 57.37 1iw4 h GLU 42 Cb 1.99 0.06 0.10 0.00 -0.16 0.00 0.00 28.75 30.74 1iw4 h GLU 42 CO 0.23 1.08 0.41 -1.01 -1.18 0.00 0.00 179.01 178.54 1iw4 s HIS 43 N -2.69 2.94 -1.03 0.92 3.76 0.14 -4.91 115.29 114.42 1iw4 s HIS 43 Ca -0.01 0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 55.41 1iw4 s HIS 43 Cb 0.09 -3.50 -0.11 0.00 1.11 0.00 0.00 32.58 30.17 1iw4 s HIS 43 CO 0.84 -1.79 2.05 -2.14 -0.85 0.00 0.00 174.74 172.85 1iw4 s PRO 44 N -5.57 2.10 -1.31 8.40 0.02 -1.26 -3.29 135.00 134.09 1iw4 s PRO 44 Ca 0.62 -0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.11 1iw4 s PRO 44 Cb -0.11 -5.07 0.00 0.00 0.02 0.00 0.00 34.50 29.34 1iw4 s PRO 44 CO 0.49 -4.21 0.00 0.41 -0.33 0.00 0.00 177.00 173.36 1iw4 n GLY 45 N 6.32 1.24 0.00 0.52 0.00 -1.26 -4.51 105.19 107.50 1iw4 n GLY 45 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.42 1.41 1.93 -0.02 0.00 -1.14 -4.56 105.19 102.39 1iw4 n GLY 46 Ca -0.12 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 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 1.64 -2.46 -2.39 1.61 3.01 -1.26 -3.96 117.46 113.64 1iw4 n PHE 47 Ca 0.00 -0.24 -0.42 0.00 1.01 0.00 0.00 57.45 57.79 1iw4 n PHE 47 Cb 0.00 -0.82 0.01 0.00 -0.01 0.00 0.00 39.48 38.66 1iw4 n PHE 47 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1iw4 n GLU 48 N -2.59 3.76 -3.86 -1.08 1.02 -0.97 -2.93 120.64 113.99 1iw4 n GLU 48 Ca 0.06 -3.64 -0.21 0.00 -0.02 0.00 0.00 57.16 53.35 1iw4 n GLU 48 Cb 0.27 -2.87 -0.04 0.00 -0.02 0.00 0.00 31.44 28.78 1iw4 n GLU 48 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1iw4 s TYR 49 N -0.04 2.87 -0.29 -0.32 -0.85 -0.62 -0.92 117.35 117.17 1iw4 s TYR 49 Ca 0.39 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.61 1iw4 s TYR 49 Cb 0.10 -1.78 0.13 0.00 0.38 0.00 0.00 41.96 40.79 1iw4 s TYR 49 CO 0.01 0.21 0.25 -1.54 -1.52 0.00 0.00 175.55 172.96 1iw4 s SER 50 N -3.97 2.17 0.12 -0.18 1.04 -0.85 -4.47 113.70 107.57 1iw4 s SER 50 Ca 0.40 -0.95 -0.35 0.00 0.48 0.00 0.00 55.95 55.53 1iw4 s SER 50 Cb -0.05 0.27 -0.16 0.00 0.10 0.00 0.00 66.02 66.18 1iw4 s SER 50 CO 0.26 -0.40 1.31 0.59 0.98 0.00 0.00 173.24 175.98 1iw4 n ASN 51 N 5.24 1.68 0.00 7.02 4.13 -1.26 -2.54 115.26 129.53 1iw4 n ASN 51 Ca -0.02 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.36 1iw4 n ASN 51 Cb 0.45 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 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 2.43 3.45 3.58 7.41 0.00 0.16 -4.90 105.19 117.31 1iw4 n GLY 52 Ca 0.17 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.50 3.10 0.00 1.61 0.04 -1.25 -4.23 135.00 131.76 1iw4 s PRO 53 Ca 0.00 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.63 1iw4 s PRO 53 Cb 0.00 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1iw4 s PRO 53 CO 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 177.00 173.81