#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 2.01 0.00 0.00 2.46 -1.26 -3.93 115.29 114.57 1iw4 s HIS 2 Ca 0.00 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1iw4 s HIS 2 Cb 0.00 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.36 1iw4 s HIS 2 CO 0.00 -1.35 0.00 -1.33 -2.47 0.00 0.00 174.74 169.59 1iw4 n MET 3 N 8.39 0.00 -1.38 2.88 2.81 -1.26 -5.05 117.12 123.51 1iw4 n MET 3 Ca 0.44 0.00 -0.51 0.00 -1.81 0.00 0.00 57.70 55.82 1iw4 n MET 3 Cb 0.47 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.86 1iw4 n MET 3 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1iw4 n ASP 4 N 0.00 1.03 -3.44 7.83 9.92 -1.26 -4.86 116.55 125.77 1iw4 n ASP 4 Ca 0.00 0.40 -0.12 0.00 -0.53 0.00 0.00 54.79 54.54 1iw4 n ASP 4 Cb 0.00 -1.03 -0.02 0.00 -0.64 0.00 0.00 41.12 39.43 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iw4 h THR 6 N 2.00 0.19 -0.00 0.00 1.35 -1.84 -3.39 112.91 111.22 1iw4 h THR 6 Ca -0.33 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.49 1iw4 h THR 6 Cb 1.30 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1iw4 h THR 6 CO 0.37 0.00 1.08 -0.62 -0.25 0.00 0.00 175.52 176.10 1iw4 n GLU 7 N -3.73 0.01 0.00 4.72 4.71 -1.26 -4.39 120.64 120.69 1iw4 n GLU 7 Ca 0.24 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1iw4 n GLU 7 Cb 1.35 -1.13 0.00 0.00 -1.01 0.00 0.00 31.44 30.65 1iw4 n GLU 7 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1iw4 n PHE 8 N 5.30 0.00 0.24 -0.32 7.35 -1.26 -5.07 117.46 123.70 1iw4 n PHE 8 Ca 0.10 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.68 1iw4 n PHE 8 Cb 0.46 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.23 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1iw4 h ASN 9 N 0.00 -0.58 -2.90 -2.13 2.35 -1.99 -3.40 115.58 106.94 1iw4 h ASN 9 Ca 0.00 0.01 -0.70 0.00 -0.55 0.00 0.00 56.30 55.05 1iw4 h ASN 9 Cb 0.00 0.15 -0.20 0.00 0.05 0.00 0.00 38.32 38.32 1iw4 h ASN 9 CO 0.00 -0.16 0.30 -2.16 -1.65 0.00 0.00 177.43 173.76 1iw4 s PRO 10 N -3.82 3.24 1.26 0.81 0.04 -1.26 -5.05 135.00 130.21 1iw4 s PRO 10 Ca -0.10 -1.52 -0.15 0.00 0.04 0.00 0.00 61.00 59.27 1iw4 s PRO 10 Cb 0.01 -4.42 0.32 0.00 0.04 0.00 0.00 34.50 30.45 1iw4 s PRO 10 CO 0.31 -1.59 0.94 1.28 0.04 0.00 0.00 177.00 177.99 1iw4 n LEU 11 N 6.20 -1.65 0.00 -3.56 7.99 -1.26 -4.08 117.00 120.64 1iw4 n LEU 11 Ca 0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.66 1iw4 n LEU 11 Cb 0.45 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 1iw4 n LEU 11 CO 0.54 -3.64 0.00 0.00 -1.51 0.00 0.00 177.39 172.78 1iw4 n ARG 13 N 0.00 2.28 -3.91 0.00 5.12 -1.26 -4.66 116.66 114.23 1iw4 n ARG 13 Ca 0.00 -3.05 -0.30 0.00 -1.93 0.00 0.00 57.85 52.56 1iw4 n ARG 13 Cb 0.00 -2.18 -0.14 0.00 -1.16 0.00 0.00 32.46 28.98 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw4 h ASN 15 N 7.24 0.79 0.00 0.00 -0.26 -2.00 -3.43 115.58 117.92 1iw4 h ASN 15 Ca -0.06 -0.48 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1iw4 h ASN 15 Cb 0.97 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 1iw4 h ASN 15 CO 0.56 1.11 0.00 1.17 -1.06 0.00 0.00 177.43 179.21 1iw4 n LYS 16 N -4.22 0.00 -1.80 0.81 4.81 -1.26 -4.60 118.16 111.90 1iw4 n LYS 16 Ca -0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.20 1iw4 n LYS 16 Cb 0.49 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.46 1iw4 n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iw4 s MET 17 N 0.00 1.79 0.24 1.64 0.23 -1.26 -4.85 119.30 117.09 1iw4 s MET 17 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 55.69 54.16 1iw4 s MET 17 Cb 0.00 -5.05 0.03 0.00 -1.53 0.00 0.00 34.83 28.28 1iw4 s MET 17 CO 0.00 -4.67 0.26 1.47 -2.03 0.00 0.00 175.02 170.06 1iw4 n LEU 18 N 17.28 0.00 -3.52 0.18 -0.00 -1.26 -5.01 117.00 124.67 1iw4 n LEU 18 Ca 0.43 -1.10 -0.40 0.00 -0.00 0.00 0.00 56.01 54.93 1iw4 n LEU 18 Cb 0.46 -0.11 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 1iw4 n LEU 18 CO 0.61 -0.50 2.74 0.61 -0.00 0.00 0.00 177.39 180.85 1iw4 n GLY 19 N 2.14 4.68 3.91 1.47 0.00 -1.26 -4.69 105.19 111.43 1iw4 n GLY 19 Ca 0.04 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 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 1.54 5.40 -0.39 1.61 1.11 -1.26 -5.05 116.67 119.62 1iw4 s ASP 20 Ca 0.56 0.79 0.10 0.00 0.18 0.00 0.00 52.55 54.18 1iw4 s ASP 20 Cb 0.16 -1.66 0.30 0.00 1.07 0.00 0.00 42.92 42.79 1iw4 s ASP 20 CO -0.07 -1.25 0.68 0.00 1.18 0.00 0.00 175.17 175.71 1iw4 n LEU 21 N -2.77 0.11 -4.81 1.23 -0.00 -1.26 -4.28 117.00 105.22 1iw4 n LEU 21 Ca 0.06 -4.68 -0.34 0.00 -0.00 0.00 0.00 56.01 51.05 1iw4 n LEU 21 Cb 0.58 0.71 -0.07 0.00 -0.00 0.00 0.00 43.42 44.64 1iw4 n LEU 21 CO 0.54 2.16 0.66 -0.51 -0.00 0.00 0.00 177.39 180.24 1iw4 s ILE 22 N -1.53 4.32 -0.73 1.47 -1.16 -0.85 -2.72 121.20 120.01 1iw4 s ILE 22 Ca 0.36 1.51 -0.06 0.00 -0.51 0.00 0.00 60.65 61.96 1iw4 s ILE 22 Cb 0.26 -3.65 0.19 0.00 0.61 0.00 0.00 42.46 39.87 1iw4 s ILE 22 CO -0.10 -0.24 0.59 0.00 -2.81 0.00 0.00 174.94 172.37 1iw4 s ALA 24 N -0.23 3.03 -0.21 0.00 0.00 -0.43 0.34 121.76 124.25 1iw4 s ALA 24 Ca 0.19 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1iw4 s ALA 24 Cb -0.16 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1iw4 s ALA 24 CO -0.06 -0.25 0.60 0.08 0.00 0.00 0.00 175.76 176.13 1iw4 s VAL 25 N -2.53 0.00 0.41 0.00 1.01 0.59 -1.08 120.40 118.80 1iw4 s VAL 25 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1iw4 s VAL 25 Cb -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1iw4 s VAL 25 CO 0.29 -0.01 0.02 2.30 0.00 0.00 0.00 175.10 177.70 1iw4 n ILE 26 N 2.59 0.00 -0.37 2.22 -0.00 0.18 -2.04 119.36 121.94 1iw4 n ILE 26 Ca -0.14 -1.93 0.30 0.00 -0.00 0.00 0.00 62.75 60.98 1iw4 n ILE 26 Cb 0.56 0.36 0.49 0.00 -0.00 0.00 0.00 39.64 41.05 1iw4 n ILE 26 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1iw4 n GLY 27 N 0.09 -0.60 0.80 3.28 0.00 -1.26 -2.58 105.19 104.92 1iw4 n GLY 27 Ca -0.16 0.50 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.79 -0.64 -3.76 1.61 5.68 -1.26 -5.12 116.55 109.27 1iw4 n ASP 28 Ca 0.28 -1.42 -0.22 0.00 -0.50 0.00 0.00 54.79 52.93 1iw4 n ASP 28 Cb 1.16 0.19 -0.18 0.00 -1.14 0.00 0.00 41.12 41.16 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 0.62 -0.13 2.12 0.00 -1.06 -5.13 121.76 118.17 1iw4 s ALA 29 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 1iw4 s ALA 29 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1iw4 s ALA 29 CO 0.00 -0.44 -0.13 -1.59 0.00 0.00 0.00 175.76 173.60 1iw4 s LYS 30 N 1.95 3.38 -0.12 0.00 -2.85 -1.26 0.50 119.74 121.33 1iw4 s LYS 30 Ca 0.04 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.97 54.13 1iw4 s LYS 30 Cb -0.12 -2.64 0.05 0.00 -2.06 0.00 0.00 37.83 33.06 1iw4 s LYS 30 CO -0.05 0.23 0.52 -1.83 0.10 0.00 0.00 175.35 174.32 1iw4 s GLU 31 N 0.31 0.74 0.38 1.78 1.03 -0.24 -4.97 118.70 117.72 1iw4 s GLU 31 Ca -0.10 0.43 -0.01 0.00 0.03 0.00 0.00 54.97 55.32 1iw4 s GLU 31 Cb -0.16 0.35 -0.03 0.00 -0.80 0.00 0.00 34.13 33.49 1iw4 s GLU 31 CO 0.05 -0.16 0.60 -1.21 -1.33 0.00 0.00 175.26 173.22 1iw4 s GLU 32 N -0.41 3.50 0.23 -4.83 8.01 -1.26 -1.31 118.70 122.62 1iw4 s GLU 32 Ca -0.06 -0.20 -0.22 0.00 0.01 0.00 0.00 54.97 54.50 1iw4 s GLU 32 Cb -0.03 -2.60 0.04 0.00 -4.31 0.00 0.00 34.13 27.23 1iw4 s GLU 32 CO 0.04 0.07 0.70 -3.38 0.01 0.00 0.00 175.26 172.69 1iw4 s HIS 33 N -2.41 -0.31 -0.14 1.61 -3.43 -1.11 -4.94 115.29 104.58 1iw4 s HIS 33 Ca 0.42 -0.06 -0.12 0.00 -0.80 0.00 0.00 55.06 54.50 1iw4 s HIS 33 Cb -0.10 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.66 1iw4 s HIS 33 CO 0.38 -1.08 -0.24 0.54 -2.00 0.00 0.00 174.74 172.35 1iw4 n ARG 34 N -0.43 0.41 -1.49 -0.38 3.00 -1.26 -2.01 116.66 114.50 1iw4 n ARG 34 Ca -0.08 0.28 -0.40 0.00 -0.01 0.00 0.00 57.85 57.63 1iw4 n ARG 34 Cb 0.61 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.70 1iw4 n ARG 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1iw4 n ASN 35 N -4.14 5.64 -0.07 0.55 4.13 -1.26 -4.51 115.26 115.60 1iw4 n ASN 35 Ca -0.10 -2.70 0.26 0.00 1.68 0.00 0.00 54.58 53.72 1iw4 n ASN 35 Cb 0.35 -1.56 0.70 0.00 -1.54 0.00 0.00 39.78 37.73 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1iw4 h MET 36 N 5.77 0.00 0.54 3.52 1.85 -1.95 -1.73 114.93 122.93 1iw4 h MET 36 Ca 0.67 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.74 1iw4 h MET 36 Cb 0.49 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.51 1iw4 h MET 36 CO 1.84 0.00 -0.34 0.00 -0.40 0.00 0.00 176.91 178.00 1iw4 h ALA 38 N -1.39 2.53 0.01 0.00 0.00 -1.59 0.16 119.26 118.98 1iw4 h ALA 38 Ca -0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1iw4 h ALA 38 Cb 0.67 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.53 1iw4 h ALA 38 CO 0.07 -0.87 -1.06 -0.07 0.00 0.00 0.00 179.25 177.31 1iw4 h LEU 39 N 0.00 0.90 -1.57 0.00 4.07 -1.18 0.44 115.31 117.97 1iw4 h LEU 39 Ca 0.31 -0.73 -0.04 0.00 0.08 0.00 0.00 57.88 57.50 1iw4 h LEU 39 Cb 1.38 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1iw4 h LEU 39 CO -0.00 1.53 -0.18 0.00 -1.08 0.00 0.00 178.44 178.71 1iw4 n GLU 42 N -3.40 0.64 -1.88 0.00 1.02 0.15 -4.86 120.64 112.31 1iw4 n GLU 42 Ca -0.31 0.30 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1iw4 n GLU 42 Cb 1.05 -1.79 0.21 0.00 -0.02 0.00 0.00 31.44 30.88 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iw4 s HIS 43 N -2.60 1.19 -0.86 -0.32 3.76 0.25 -4.85 115.29 111.86 1iw4 s HIS 43 Ca -0.06 0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.86 1iw4 s HIS 43 Cb 0.08 -4.22 -0.19 0.00 1.11 0.00 0.00 32.58 29.36 1iw4 s HIS 43 CO 0.82 -2.94 2.13 -2.30 -0.85 0.00 0.00 174.74 171.60 1iw4 n PRO 44 N -3.94 0.26 -4.36 8.40 -0.02 -1.26 -3.50 135.00 130.57 1iw4 n PRO 44 Ca 0.17 -1.06 -0.38 0.00 -2.02 0.00 0.00 63.50 60.21 1iw4 n PRO 44 Cb 0.59 -3.31 -0.06 0.00 -0.02 0.00 0.00 33.50 30.70 1iw4 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iw4 n GLY 45 N 6.19 -0.36 2.73 -1.23 0.00 -1.26 0.12 105.19 111.38 1iw4 n GLY 45 Ca 0.42 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.48 -0.36 0.00 -0.02 0.00 -0.95 -4.95 105.19 97.44 1iw4 n GLY 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iw4 n GLY 46 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iw4 n PHE 47 N -4.28 0.00 -4.04 1.61 -1.74 0.33 -4.72 117.46 104.62 1iw4 n PHE 47 Ca -0.13 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.69 1iw4 n PHE 47 Cb 0.62 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.52 1iw4 n PHE 47 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1iw4 s GLU 48 N 0.00 0.58 0.30 3.97 2.12 -0.87 -4.57 118.70 120.24 1iw4 s GLU 48 Ca 0.00 -1.06 -0.18 0.00 0.36 0.00 0.00 54.97 54.09 1iw4 s GLU 48 Cb 0.00 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.62 1iw4 s GLU 48 CO 0.00 -0.12 0.69 1.52 -0.54 0.00 0.00 175.26 176.82 1iw4 s TYR 49 N -3.41 -0.00 -0.35 5.30 1.13 -1.25 -0.30 117.35 118.46 1iw4 s TYR 49 Ca 0.02 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 1iw4 s TYR 49 Cb 0.04 0.64 0.15 0.00 -1.10 0.00 0.00 41.96 41.69 1iw4 s TYR 49 CO -0.08 -1.28 0.31 -1.12 -2.51 0.00 0.00 175.55 170.87 1iw4 s SER 50 N -2.98 1.83 0.09 -0.18 0.01 0.15 0.13 113.70 112.76 1iw4 s SER 50 Ca 0.14 -1.66 -0.36 0.00 1.31 0.00 0.00 55.95 55.38 1iw4 s SER 50 Cb -0.05 0.24 -0.16 0.00 0.21 0.00 0.00 66.02 66.26 1iw4 s SER 50 CO 0.09 -0.29 1.40 0.59 0.41 0.00 0.00 173.24 175.44 1iw4 n ASN 51 N 4.33 1.98 0.00 2.44 5.03 -1.26 -1.57 115.26 126.20 1iw4 n ASN 51 Ca 0.09 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.65 1iw4 n ASN 51 Cb 0.43 -1.24 0.00 0.00 -1.02 0.00 0.00 39.78 37.95 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 2.76 1.07 3.66 7.41 0.00 -1.10 -4.89 105.19 114.09 1iw4 n GLY 52 Ca 0.18 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.31 4.22 0.00 1.61 0.04 -1.25 -4.15 135.00 134.15 1iw4 s PRO 53 Ca 0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1iw4 s PRO 53 Cb 0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1iw4 s PRO 53 CO 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 177.00 176.34