#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 3.45 0.00 0.00 -3.43 -1.21 -1.32 115.29 112.77 1iw4 s HIS 2 Ca 0.00 -1.62 0.00 0.00 -0.80 0.00 0.00 55.06 52.64 1iw4 s HIS 2 Cb 0.00 -3.95 0.00 0.00 -1.43 0.00 0.00 32.58 27.20 1iw4 s HIS 2 CO 0.00 -1.15 0.00 -1.33 -2.00 0.00 0.00 174.74 170.26 1iw4 n MET 3 N 5.05 0.43 -0.49 -0.38 2.81 -1.26 -5.02 117.12 118.26 1iw4 n MET 3 Ca 0.09 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1iw4 n MET 3 Cb 0.46 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1iw4 n ASP 4 N 0.00 -0.94 -0.29 7.83 -0.08 -1.26 -4.67 116.55 117.13 1iw4 n ASP 4 Ca 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 54.79 52.63 1iw4 n ASP 4 Cb 0.00 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.18 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 0.00 -0.25 -1.27 0.00 5.66 -1.26 0.12 114.28 117.28 1iw4 n THR 6 Ca 0.00 1.22 -0.20 0.00 -3.05 0.00 0.00 64.05 62.02 1iw4 n THR 6 Cb 0.00 -1.94 -0.10 0.00 -1.55 0.00 0.00 70.33 66.74 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 -4.42 2.20 0.00 1.09 0.28 -1.26 -4.51 120.64 114.02 1iw4 n GLU 7 Ca 0.21 -1.76 0.00 0.00 -0.16 0.00 0.00 57.16 55.45 1iw4 n GLU 7 Cb 0.70 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.51 1iw4 n GLU 7 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1iw4 n PHE 8 N 1.51 0.00 -0.04 -1.84 7.35 0.32 -4.87 117.46 119.88 1iw4 n PHE 8 Ca 0.45 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.07 1iw4 n PHE 8 Cb 0.70 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.46 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 -0.03 -1.45 -2.13 -0.26 -1.87 -3.39 115.58 106.45 1iw4 h ASN 9 Ca 0.00 -0.46 -0.76 0.00 -0.56 0.00 0.00 56.30 54.52 1iw4 h ASN 9 Cb 0.00 0.01 -0.16 0.00 -1.06 0.00 0.00 38.32 37.11 1iw4 h ASN 9 CO 0.00 0.69 2.01 -0.81 -1.06 0.00 0.00 177.43 178.25 1iw4 n PRO 10 N -4.73 3.89 -1.66 0.81 -0.04 -1.26 -4.99 135.00 127.01 1iw4 n PRO 10 Ca -0.05 -3.60 -0.29 0.00 -0.04 0.00 0.00 63.50 59.52 1iw4 n PRO 10 Cb 0.23 -2.83 0.17 0.00 -0.04 0.00 0.00 33.50 31.03 1iw4 n PRO 10 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1iw4 s LEU 11 N -0.77 2.12 0.00 1.53 0.05 -1.26 -4.43 118.68 115.91 1iw4 s LEU 11 Ca 0.42 0.58 0.00 0.00 0.05 0.00 0.00 54.13 55.18 1iw4 s LEU 11 Cb 0.11 -2.69 0.00 0.00 -2.05 0.00 0.00 46.19 41.56 1iw4 s LEU 11 CO -0.01 -2.85 0.00 0.00 -0.55 0.00 0.00 176.35 172.94 1iw4 n ARG 13 N 0.00 3.83 -3.15 0.00 1.85 -1.26 -4.80 116.66 113.14 1iw4 n ARG 13 Ca 0.00 -3.08 0.05 0.00 -1.00 0.00 0.00 57.85 53.82 1iw4 n ARG 13 Cb 0.00 -2.15 -0.01 0.00 -1.05 0.00 0.00 32.46 29.25 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iw4 n ASN 15 N 5.43 0.00 -1.42 0.00 0.23 -1.26 -2.99 115.26 115.25 1iw4 n ASN 15 Ca -0.04 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.08 1iw4 n ASN 15 Cb 0.54 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.53 1iw4 n ASN 15 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1iw4 n LYS 16 N 0.00 3.48 -0.51 -3.83 4.81 -1.26 -4.54 118.16 116.31 1iw4 n LYS 16 Ca 0.00 -2.33 -0.23 0.00 -0.87 0.00 0.00 58.31 54.88 1iw4 n LYS 16 Cb 0.00 -1.89 0.18 0.00 0.02 0.00 0.00 35.03 33.34 1iw4 n LYS 16 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1iw4 n MET 17 N 0.72 -2.56 -1.21 1.64 1.56 -1.26 -4.64 117.12 111.37 1iw4 n MET 17 Ca 0.21 -0.75 -0.41 0.00 -0.27 0.00 0.00 57.70 56.48 1iw4 n MET 17 Cb 0.82 -1.61 -0.07 0.00 2.15 0.00 0.00 33.22 34.52 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1iw4 n LEU 18 N -2.15 3.55 -4.74 -0.89 -0.00 -1.26 -4.76 117.00 106.75 1iw4 n LEU 18 Ca 0.06 -2.77 -0.34 0.00 -0.00 0.00 0.00 56.01 52.96 1iw4 n LEU 18 Cb 0.45 -1.14 0.08 0.00 -0.00 0.00 0.00 43.42 42.82 1iw4 n LEU 18 CO 0.33 -0.80 0.78 -0.83 -0.00 0.00 0.00 177.39 176.87 1iw4 s GLY 19 N 5.48 2.27 0.89 1.47 0.00 -1.26 -5.03 107.32 111.14 1iw4 s GLY 19 Ca 0.61 0.76 -0.13 0.00 0.00 0.00 0.00 44.72 45.95 1iw4 s GLY 19 CO 0.15 1.15 1.21 1.22 0.00 0.00 0.00 173.10 176.84 1iw4 n ASP 20 N -2.64 0.27 -4.44 1.64 8.00 -0.86 -4.75 116.55 113.78 1iw4 n ASP 20 Ca 0.12 -1.55 -0.44 0.00 0.71 0.00 0.00 54.79 53.63 1iw4 n ASP 20 Cb 0.51 -0.91 -0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1iw4 n ASP 20 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1iw4 s LEU 21 N 0.00 5.27 0.36 0.64 2.34 -1.26 -3.77 118.68 122.26 1iw4 s LEU 21 Ca 0.70 -2.92 -0.17 0.00 0.06 0.00 0.00 54.13 51.80 1iw4 s LEU 21 Cb -0.02 -2.37 -0.10 0.00 -0.56 0.00 0.00 46.19 43.14 1iw4 s LEU 21 CO 0.49 -0.73 0.81 -0.51 -1.06 0.00 0.00 176.35 175.35 1iw4 s ILE 22 N 1.33 4.58 -0.80 1.48 -1.16 0.22 -1.84 121.20 125.02 1iw4 s ILE 22 Ca 0.39 1.12 -0.04 0.00 -0.51 0.00 0.00 60.65 61.61 1iw4 s ILE 22 Cb -0.04 -3.61 0.20 0.00 0.61 0.00 0.00 42.46 39.62 1iw4 s ILE 22 CO -0.03 -0.24 0.67 0.00 -2.81 0.00 0.00 174.94 172.53 1iw4 s ALA 24 N -0.65 3.00 -0.16 0.00 0.00 0.75 0.40 121.76 125.11 1iw4 s ALA 24 Ca 0.22 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 1iw4 s ALA 24 Cb -0.13 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.92 1iw4 s ALA 24 CO -0.08 -0.64 0.52 0.08 0.00 0.00 0.00 175.76 175.64 1iw4 s VAL 25 N -2.94 0.01 -0.47 0.00 1.01 -0.16 0.38 120.40 118.24 1iw4 s VAL 25 Ca 0.57 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1iw4 s VAL 25 Cb -0.11 -0.75 0.15 0.00 0.00 0.00 0.00 36.38 35.66 1iw4 s VAL 25 CO 0.46 -0.03 0.29 0.27 0.00 0.00 0.00 175.10 176.09 1iw4 s ILE 26 N -0.08 1.35 0.00 2.22 -0.00 -0.59 -2.22 121.20 121.88 1iw4 s ILE 26 Ca -0.03 -2.75 0.00 0.00 -0.00 0.00 0.00 60.65 57.87 1iw4 s ILE 26 Cb -0.03 -1.93 0.00 0.00 -0.00 0.00 0.00 42.46 40.49 1iw4 s ILE 26 CO 0.02 -0.97 0.00 0.61 -0.00 0.00 0.00 174.94 174.60 1iw4 n GLY 27 N 3.25 0.80 0.76 6.27 0.00 -1.26 -2.10 105.19 112.91 1iw4 n GLY 27 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1iw4 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iw4 n ASP 28 N 2.01 -0.18 -3.79 1.61 9.92 -1.26 -5.03 116.55 119.83 1iw4 n ASP 28 Ca 0.00 -1.57 -0.29 0.00 -0.53 0.00 0.00 54.79 52.41 1iw4 n ASP 28 Cb 0.00 0.02 -0.12 0.00 -0.64 0.00 0.00 41.12 40.38 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iw4 s ALA 29 N 0.00 2.95 -0.06 2.24 0.00 -0.89 -5.09 121.76 120.91 1iw4 s ALA 29 Ca 0.04 -3.22 -0.21 0.00 0.00 0.00 0.00 51.96 48.57 1iw4 s ALA 29 Cb 0.04 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1iw4 s ALA 29 CO -0.02 -2.06 0.60 -1.59 0.00 0.00 0.00 175.76 172.70 1iw4 s LYS 30 N -0.56 4.37 -0.02 0.00 -2.85 -1.26 -1.54 119.74 117.88 1iw4 s LYS 30 Ca 0.23 0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 55.61 1iw4 s LYS 30 Cb -0.12 -3.41 0.07 0.00 -2.06 0.00 0.00 37.83 32.31 1iw4 s LYS 30 CO -0.10 0.19 0.67 -1.21 0.10 0.00 0.00 175.35 175.01 1iw4 s GLU 31 N 0.41 1.09 1.03 1.78 2.02 0.16 -4.96 118.70 120.24 1iw4 s GLU 31 Ca 0.32 0.14 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 1iw4 s GLU 31 Cb -0.17 0.51 0.21 0.00 0.10 0.00 0.00 34.13 34.78 1iw4 s GLU 31 CO 0.16 -0.37 1.10 -1.21 0.02 0.00 0.00 175.26 174.96 1iw4 s GLU 32 N -1.62 0.14 -0.02 1.61 0.41 -1.26 -0.18 118.70 117.79 1iw4 s GLU 32 Ca -0.09 0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 54.58 1iw4 s GLU 32 Cb -0.00 -1.71 0.07 0.00 -1.78 0.00 0.00 34.13 30.71 1iw4 s GLU 32 CO 0.06 -2.90 0.67 -1.01 -0.49 0.00 0.00 175.26 171.59 1iw4 s HIS 33 N -2.98 -0.64 -0.05 1.61 3.76 0.96 -4.66 115.29 113.28 1iw4 s HIS 33 Ca 0.66 1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 56.52 1iw4 s HIS 33 Cb -0.17 0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.93 1iw4 s HIS 33 CO 0.57 -0.64 -0.10 0.54 -0.85 0.00 0.00 174.74 174.26 1iw4 n ARG 34 N 0.70 0.16 -1.59 1.40 5.12 -1.25 -0.61 116.66 120.60 1iw4 n ARG 34 Ca -0.19 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 1iw4 n ARG 34 Cb 0.58 -0.83 -0.01 0.00 -1.16 0.00 0.00 32.46 31.04 1iw4 n ARG 34 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1iw4 n ASN 35 N -3.08 4.67 -0.35 0.55 4.13 -1.26 -2.02 115.26 117.90 1iw4 n ASN 35 Ca -0.04 -2.77 0.13 0.00 1.68 0.00 0.00 54.58 53.59 1iw4 n ASN 35 Cb 0.14 -1.59 0.32 0.00 -1.54 0.00 0.00 39.78 37.12 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 5.98 0.71 0.00 3.52 1.85 -1.83 0.48 114.93 125.64 1iw4 h MET 36 Ca 0.61 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.66 1iw4 h MET 36 Cb 0.57 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.44 1iw4 h MET 36 CO 1.87 0.47 -0.00 0.00 -0.40 0.00 0.00 176.91 178.85 1iw4 n ALA 38 N -2.32 1.55 -0.09 0.00 0.00 -0.60 -1.67 120.51 117.37 1iw4 n ALA 38 Ca -0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1iw4 n ALA 38 Cb 0.23 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1iw4 n ALA 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iw4 h LEU 39 N 0.00 0.00 -1.13 0.00 6.46 0.33 -2.53 115.31 118.44 1iw4 h LEU 39 Ca 0.00 -0.68 -0.08 0.00 -0.12 0.00 0.00 57.88 57.00 1iw4 h LEU 39 Cb 0.22 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1iw4 h LEU 39 CO 0.00 1.25 -0.23 0.00 -0.62 0.00 0.00 178.44 178.85 1iw4 n GLU 42 N -4.03 3.87 -1.79 0.00 -0.58 -0.93 -5.01 120.64 112.16 1iw4 n GLU 42 Ca -0.02 -2.97 -0.29 0.00 -0.42 0.00 0.00 57.16 53.45 1iw4 n GLU 42 Cb 0.55 -2.02 0.13 0.00 -0.57 0.00 0.00 31.44 29.52 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 1iw4 s HIS 43 N -2.68 2.47 0.02 -0.32 -3.43 0.41 -4.95 115.29 106.80 1iw4 s HIS 43 Ca 0.48 0.67 -0.15 0.00 -0.80 0.00 0.00 55.06 55.26 1iw4 s HIS 43 Cb 0.37 -3.60 -0.09 0.00 -1.43 0.00 0.00 32.58 27.83 1iw4 s HIS 43 CO 0.13 -2.18 1.10 -1.35 -2.00 0.00 0.00 174.74 170.44 1iw4 h PRO 44 N -1.34 -0.53 -0.16 -0.38 0.11 -1.90 -3.43 132.00 124.36 1iw4 h PRO 44 Ca -0.47 0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 1iw4 h PRO 44 Cb 1.31 0.12 -0.18 0.00 0.11 0.00 0.00 31.00 32.36 1iw4 h PRO 44 CO 0.58 -0.36 -0.48 0.41 -0.21 0.00 0.00 178.00 177.94 1iw4 n GLY 45 N -0.89 1.19 2.64 -0.55 0.00 -1.26 -5.00 105.19 101.32 1iw4 n GLY 45 Ca -0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.18 -0.23 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.46 1iw4 n GLY 46 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.92 0.00 -3.73 1.61 1.16 -1.26 -4.67 117.46 107.64 1iw4 n PHE 47 Ca -0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.36 1iw4 n PHE 47 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1iw4 s GLU 48 N 0.00 1.62 0.25 3.97 1.03 -0.94 -3.34 118.70 121.29 1iw4 s GLU 48 Ca 0.00 -0.83 -0.21 0.00 0.03 0.00 0.00 54.97 53.95 1iw4 s GLU 48 Cb 0.00 0.60 0.03 0.00 -0.80 0.00 0.00 34.13 33.96 1iw4 s GLU 48 CO 0.00 -0.74 0.71 1.52 -1.33 0.00 0.00 175.26 175.42 1iw4 s TYR 49 N -3.85 -0.25 -0.34 4.83 -0.85 -0.44 -0.99 117.35 115.46 1iw4 s TYR 49 Ca 0.08 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.47 1iw4 s TYR 49 Cb -0.04 0.68 0.14 0.00 0.38 0.00 0.00 41.96 43.11 1iw4 s TYR 49 CO 0.01 -1.16 0.23 -1.12 -1.52 0.00 0.00 175.55 171.99 1iw4 s SER 50 N -2.89 2.71 0.10 -0.18 0.01 0.16 -4.74 113.70 108.88 1iw4 s SER 50 Ca 0.09 -1.89 -0.36 0.00 1.31 0.00 0.00 55.95 55.10 1iw4 s SER 50 Cb -0.05 -0.20 -0.16 0.00 0.21 0.00 0.00 66.02 65.82 1iw4 s SER 50 CO 0.03 -0.32 1.43 0.59 0.41 0.00 0.00 173.24 175.38 1iw4 n ASN 51 N 4.31 2.13 0.00 2.44 4.13 -1.26 -1.35 115.26 125.65 1iw4 n ASN 51 Ca 0.09 1.11 0.00 0.00 1.68 0.00 0.00 54.58 57.45 1iw4 n ASN 51 Cb 0.39 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.37 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 2.86 2.27 3.52 7.41 0.00 -0.76 -4.89 105.19 115.59 1iw4 n GLY 52 Ca 0.18 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.91 0.75 0.06 1.61 -0.04 -1.25 -4.25 135.00 130.96 1iw4 n PRO 53 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1iw4 n PRO 53 Cb 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1iw4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46