#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 2.20 -1.12 0.00 8.25 -1.26 -4.94 115.22 118.35 1iw4 n HIS 2 Ca 0.00 -2.65 -0.29 0.00 -0.26 0.00 0.00 57.72 54.52 1iw4 n HIS 2 Cb 0.00 -1.90 0.21 0.00 1.12 0.00 0.00 29.99 29.41 1iw4 n HIS 2 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iw4 s MET 3 N -0.30 -0.33 0.00 -0.41 0.00 -1.26 -3.41 119.30 113.60 1iw4 s MET 3 Ca 0.60 0.26 0.00 0.00 0.00 0.00 0.00 55.69 56.55 1iw4 s MET 3 Cb 0.22 -1.67 0.00 0.00 0.00 0.00 0.00 34.83 33.38 1iw4 s MET 3 CO -0.10 -3.18 0.00 -3.47 0.00 0.00 0.00 175.02 168.27 1iw4 n ASP 4 N -4.45 0.00 -2.50 -1.18 -0.08 -1.26 -4.97 116.55 102.11 1iw4 n ASP 4 Ca 0.08 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.29 1iw4 n ASP 4 Cb 0.58 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.10 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 -2.51 0.00 0.00 0.00 -1.04 -1.26 -5.00 114.28 104.47 1iw4 n THR 6 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1iw4 n THR 6 Cb 0.15 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.00 0.00 -0.57 -2.82 -0.00 -1.26 -5.16 120.64 110.83 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 1.97 0.00 0.00 0.00 177.13 179.10 1iw4 n PHE 8 N 0.00 -0.56 0.05 -1.84 1.16 -1.26 -5.07 117.46 109.94 1iw4 n PHE 8 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 1iw4 n PHE 8 Cb 0.00 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 1iw4 n PHE 8 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 1iw4 h ASN 9 N 0.00 -0.14 -0.18 5.98 2.35 -2.06 -3.37 115.58 118.16 1iw4 h ASN 9 Ca 0.00 -0.35 -0.30 0.00 -0.55 0.00 0.00 56.30 55.10 1iw4 h ASN 9 Cb 0.00 0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.43 1iw4 h ASN 9 CO 0.00 0.30 0.90 -0.81 -1.65 0.00 0.00 177.43 176.17 1iw4 n PRO 10 N -4.96 0.76 0.00 0.81 -0.04 -1.26 -4.90 135.00 125.40 1iw4 n PRO 10 Ca -0.09 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1iw4 n PRO 10 Cb 0.25 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.22 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 14.61 0.00 0.00 1.53 -0.00 -1.26 -3.89 117.00 127.98 1iw4 n LEU 11 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1iw4 n LEU 11 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1iw4 n LEU 11 CO 0.79 -1.21 0.00 0.00 -0.00 0.00 0.00 177.39 176.97 1iw4 n ARG 13 N 0.00 1.48 -3.75 0.00 3.00 -1.25 -4.62 116.66 111.52 1iw4 n ARG 13 Ca 0.00 -1.01 -0.25 0.00 -0.00 0.00 0.00 57.85 56.59 1iw4 n ARG 13 Cb 0.00 -1.40 -0.17 0.00 0.00 0.00 0.00 32.46 30.89 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 5.12 2.60 -3.01 0.00 5.03 -1.26 -4.44 115.26 119.30 1iw4 n ASN 15 Ca -0.08 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.28 1iw4 n ASN 15 Cb 0.49 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 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 -3.00 0.00 -1.40 3.52 0.00 -1.26 -4.65 118.16 111.37 1iw4 n LYS 16 Ca -0.31 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 57.90 1iw4 n LYS 16 Cb 0.84 -0.86 -0.08 0.00 -0.00 0.00 0.00 35.03 34.93 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 2.14 0.10 -2.68 -1.58 0.00 -1.26 -4.18 117.12 109.66 1iw4 n MET 17 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 57.70 56.59 1iw4 n MET 17 Cb 0.00 -2.93 0.05 0.00 0.00 0.00 0.00 33.22 30.34 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 14.74 -1.45 0.00 3.17 -0.00 -1.26 -5.01 117.00 127.19 1iw4 n LEU 18 Ca 0.30 -2.41 0.00 0.00 -0.00 0.00 0.00 56.01 53.90 1iw4 n LEU 18 Cb 0.46 0.63 0.00 0.00 -0.00 0.00 0.00 43.42 44.51 1iw4 n LEU 18 CO 0.58 1.48 0.00 0.61 -0.00 0.00 0.00 177.39 180.06 1iw4 n GLY 19 N -0.36 5.58 2.15 1.47 0.00 -1.26 -5.14 105.19 107.63 1iw4 n GLY 19 Ca -0.16 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.70 -3.50 1.61 8.00 -1.26 -4.87 116.55 113.83 1iw4 n ASP 20 Ca 0.00 -0.37 -0.22 0.00 0.71 0.00 0.00 54.79 54.91 1iw4 n ASP 20 Cb 0.00 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.40 1iw4 n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1iw4 s LEU 21 N 0.00 0.09 0.44 0.64 2.96 -1.26 -3.89 118.68 117.65 1iw4 s LEU 21 Ca 0.28 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1iw4 s LEU 21 Cb -0.05 0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 1iw4 s LEU 21 CO 0.24 -0.37 0.75 -0.51 -1.32 0.00 0.00 176.35 175.13 1iw4 s ILE 22 N 2.25 4.91 -0.50 6.68 -1.16 0.53 0.80 121.20 134.71 1iw4 s ILE 22 Ca 0.07 0.23 0.02 0.00 -0.51 0.00 0.00 60.65 60.47 1iw4 s ILE 22 Cb -0.15 -3.83 0.13 0.00 0.61 0.00 0.00 42.46 39.22 1iw4 s ILE 22 CO -0.23 -0.72 0.25 0.00 -2.81 0.00 0.00 174.94 171.43 1iw4 s ALA 24 N 0.11 3.22 -0.18 0.00 0.00 0.19 -2.25 121.76 122.84 1iw4 s ALA 24 Ca 0.15 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1iw4 s ALA 24 Cb -0.23 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1iw4 s ALA 24 CO -0.03 -0.42 0.55 0.08 0.00 0.00 0.00 175.76 175.94 1iw4 s VAL 25 N -2.85 0.00 -0.44 0.00 1.01 0.15 -0.72 120.40 117.56 1iw4 s VAL 25 Ca 0.53 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1iw4 s VAL 25 Cb -0.11 -0.78 0.15 0.00 0.00 0.00 0.00 36.38 35.65 1iw4 s VAL 25 CO 0.44 -0.02 0.30 0.27 0.00 0.00 0.00 175.10 176.10 1iw4 s ILE 26 N 0.05 0.84 0.00 2.22 -0.00 -0.78 -2.07 121.20 121.45 1iw4 s ILE 26 Ca -0.02 -2.57 0.00 0.00 -0.00 0.00 0.00 60.65 58.06 1iw4 s ILE 26 Cb -0.04 -1.58 0.00 0.00 -0.00 0.00 0.00 42.46 40.84 1iw4 s ILE 26 CO 0.02 -1.07 0.00 0.61 -0.00 0.00 0.00 174.94 174.50 1iw4 n GLY 27 N 3.22 0.76 0.84 6.27 0.00 -1.26 -2.02 105.19 113.01 1iw4 n GLY 27 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.91 -0.29 -3.72 1.61 5.68 -1.26 -5.02 116.55 115.45 1iw4 n ASP 28 Ca 0.00 -1.66 -0.28 0.00 -0.50 0.00 0.00 54.79 52.35 1iw4 n ASP 28 Cb 0.00 0.07 -0.12 0.00 -1.14 0.00 0.00 41.12 39.93 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 2.86 0.02 2.12 0.00 -0.85 -5.10 121.76 120.81 1iw4 s ALA 29 Ca 0.04 -3.25 -0.15 0.00 0.00 0.00 0.00 51.96 48.60 1iw4 s ALA 29 Cb 0.05 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1iw4 s ALA 29 CO -0.02 -2.05 0.44 -1.59 0.00 0.00 0.00 175.76 172.53 1iw4 s LYS 30 N -0.75 3.95 -0.08 0.00 0.00 -1.26 -1.88 119.74 119.72 1iw4 s LYS 30 Ca 0.26 0.45 -0.30 0.00 0.00 0.00 0.00 55.97 56.38 1iw4 s LYS 30 Cb -0.05 -3.19 0.07 0.00 0.00 0.00 0.00 37.83 34.66 1iw4 s LYS 30 CO -0.15 0.66 0.69 -2.00 0.00 0.00 0.00 175.35 174.55 1iw4 s GLU 31 N -1.19 1.02 -0.02 1.78 -6.30 0.10 -4.96 118.70 109.13 1iw4 s GLU 31 Ca 0.26 0.38 -0.02 0.00 -2.50 0.00 0.00 54.97 53.08 1iw4 s GLU 31 Cb -0.17 0.49 -0.04 0.00 0.00 0.00 0.00 34.13 34.41 1iw4 s GLU 31 CO 0.15 -0.29 0.14 -1.21 0.02 0.00 0.00 175.26 174.07 1iw4 s GLU 32 N -0.94 3.30 -0.15 4.30 2.02 -1.26 -0.64 118.70 125.32 1iw4 s GLU 32 Ca -0.09 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 1iw4 s GLU 32 Cb -0.01 -3.01 0.05 0.00 0.10 0.00 0.00 34.13 31.26 1iw4 s GLU 32 CO 0.09 0.67 0.56 -3.38 0.02 0.00 0.00 175.26 173.22 1iw4 s HIS 33 N -1.25 -0.57 0.00 1.61 -3.43 -0.72 -4.98 115.29 105.94 1iw4 s HIS 33 Ca 0.25 1.26 -0.18 0.00 -0.80 0.00 0.00 55.06 55.58 1iw4 s HIS 33 Cb -0.12 0.24 -0.33 0.00 -1.43 0.00 0.00 32.58 30.94 1iw4 s HIS 33 CO 0.16 -0.39 0.97 0.00 -2.00 0.00 0.00 174.74 173.48 1iw4 h ARG 34 N 4.51 0.46 -3.87 -0.38 3.08 -1.86 0.15 114.38 116.46 1iw4 h ARG 34 Ca -0.28 -0.76 -0.70 0.00 0.07 0.00 0.00 59.98 58.31 1iw4 h ARG 34 Cb 1.16 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 1iw4 h ARG 34 CO 0.24 1.36 3.22 0.09 -1.07 0.00 0.00 179.97 183.81 1iw4 n ASN 35 N -3.89 4.51 0.21 7.04 3.02 -1.26 -4.34 115.26 120.55 1iw4 n ASN 35 Ca -0.15 -2.80 0.18 0.00 -0.03 0.00 0.00 54.58 51.77 1iw4 n ASN 35 Cb 0.98 -1.64 0.79 0.00 -0.61 0.00 0.00 39.78 39.31 1iw4 n ASN 35 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1iw4 h MET 36 N 5.89 0.00 0.06 3.52 1.85 -1.91 -1.65 114.93 122.69 1iw4 h MET 36 Ca 0.61 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.70 1iw4 h MET 36 Cb 0.59 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1iw4 h MET 36 CO 1.88 0.00 -0.03 0.00 -0.40 0.00 0.00 176.91 178.36 1iw4 h ALA 38 N 0.20 1.77 0.18 0.00 0.00 -1.52 0.79 119.26 120.68 1iw4 h ALA 38 Ca -0.01 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1iw4 h ALA 38 Cb 0.56 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1iw4 h ALA 38 CO 0.01 -0.17 -1.46 -0.07 0.00 0.00 0.00 179.25 177.56 1iw4 h LEU 39 N 0.00 0.61 -1.79 0.00 -0.00 -1.42 -0.30 115.31 112.42 1iw4 h LEU 39 Ca 0.05 -0.92 -0.01 0.00 -0.00 0.00 0.00 57.88 57.00 1iw4 h LEU 39 Cb 0.28 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1iw4 h LEU 39 CO -0.00 1.67 0.01 0.00 -0.00 0.00 0.00 178.44 180.12 1iw4 n GLU 42 N -3.37 2.95 -2.14 0.00 1.02 -0.12 -4.99 120.64 113.98 1iw4 n GLU 42 Ca -0.29 -3.06 -0.28 0.00 -0.02 0.00 0.00 57.16 53.51 1iw4 n GLU 42 Cb 1.05 -2.06 0.05 0.00 -0.02 0.00 0.00 31.44 30.46 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1iw4 s HIS 43 N -3.07 3.20 0.00 -0.32 -3.43 0.11 -4.91 115.29 106.88 1iw4 s HIS 43 Ca 0.51 0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 55.50 1iw4 s HIS 43 Cb 0.42 -2.99 -0.17 0.00 -1.43 0.00 0.00 32.58 28.41 1iw4 s HIS 43 CO 0.09 -1.12 2.49 -2.30 -2.00 0.00 0.00 174.74 171.91 1iw4 n PRO 44 N -2.85 1.27 0.00 -0.38 -0.02 -1.26 -4.54 135.00 127.22 1iw4 n PRO 44 Ca 0.06 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1iw4 n PRO 44 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.68 3.05 0.00 -1.23 0.00 -1.26 -4.60 105.19 103.82 1iw4 n GLY 45 Ca 0.27 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -1.00 0.00 -0.02 0.00 -1.26 -5.16 105.19 97.75 1iw4 n GLY 46 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 -3.47 1.61 1.16 -1.26 -4.83 117.46 110.67 1iw4 n PHE 47 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1iw4 n PHE 47 Cb 0.00 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 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 0.57 0.26 3.97 -1.05 -0.88 -4.14 118.70 117.43 1iw4 s GLU 48 Ca 0.00 1.28 0.06 0.00 -0.15 0.00 0.00 54.97 56.15 1iw4 s GLU 48 Cb 0.00 0.75 -0.06 0.00 -0.44 0.00 0.00 34.13 34.39 1iw4 s GLU 48 CO 0.00 -0.34 -0.05 1.52 0.95 0.00 0.00 175.26 177.34 1iw4 s TYR 49 N 2.88 1.82 -0.17 4.83 -0.85 -1.22 0.29 117.35 124.93 1iw4 s TYR 49 Ca 0.03 -0.76 -0.05 0.00 -0.52 0.00 0.00 57.07 55.78 1iw4 s TYR 49 Cb -0.13 -1.03 0.09 0.00 0.38 0.00 0.00 41.96 41.26 1iw4 s TYR 49 CO -0.20 0.19 0.30 -1.12 -1.52 0.00 0.00 175.55 173.20 1iw4 s SER 50 N -3.39 0.42 0.18 -0.18 0.01 -0.96 -4.41 113.70 105.38 1iw4 s SER 50 Ca 0.29 0.45 -0.33 0.00 1.31 0.00 0.00 55.95 57.67 1iw4 s SER 50 Cb 0.04 0.81 -0.15 0.00 0.21 0.00 0.00 66.02 66.93 1iw4 s SER 50 CO 0.11 -0.26 1.28 0.59 0.41 0.00 0.00 173.24 175.36 1iw4 n ASN 51 N 5.35 1.87 0.00 2.44 4.13 -1.26 -1.16 115.26 126.63 1iw4 n ASN 51 Ca -0.06 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.34 1iw4 n ASN 51 Cb 0.50 -1.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.45 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 2.20 1.99 3.53 7.41 0.00 0.24 -4.83 105.19 115.73 1iw4 n GLY 52 Ca 0.15 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.56 3.36 0.13 1.61 0.04 -1.24 -3.66 135.00 133.67 1iw4 s PRO 53 Ca 0.00 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1iw4 s PRO 53 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1iw4 s PRO 53 CO 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 177.00 176.03