#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 0.00 -0.06 0.00 -0.00 -1.06 -4.92 115.22 109.17 1iw4 n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1iw4 n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1iw4 n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1iw4 n MET 3 N 0.00 0.68 -1.06 1.57 0.00 -1.26 -4.68 117.12 112.36 1iw4 n MET 3 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1iw4 n MET 3 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.08 1iw4 n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1iw4 n ASP 4 N -0.44 -0.58 -4.72 6.12 2.03 -1.26 -4.88 116.55 112.83 1iw4 n ASP 4 Ca 0.00 -0.19 -0.31 0.00 0.52 0.00 0.00 54.79 54.80 1iw4 n ASP 4 Cb 0.00 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.84 1iw4 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iw4 h THR 6 N 3.04 0.25 0.00 0.00 1.03 -1.89 -3.43 112.91 111.91 1iw4 h THR 6 Ca -0.48 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 65.86 1iw4 h THR 6 Cb 1.17 0.78 -0.02 0.00 -1.07 0.00 0.00 68.15 69.01 1iw4 h THR 6 CO 0.61 0.00 0.45 -1.84 -0.01 0.00 0.00 175.52 174.73 1iw4 n GLU 7 N -3.42 0.00 0.00 0.00 0.28 -1.26 -4.65 120.64 111.60 1iw4 n GLU 7 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1iw4 n GLU 7 Cb 0.35 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.94 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1iw4 n PHE 8 N 1.41 0.00 0.25 -1.84 3.72 -1.26 -5.07 117.46 114.67 1iw4 n PHE 8 Ca 0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1iw4 n PHE 8 Cb 0.08 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.58 -2.42 4.37 2.35 -2.02 -3.39 115.58 113.88 1iw4 h ASN 9 Ca 0.00 -0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 1iw4 h ASN 9 Cb 0.00 0.15 -0.15 0.00 0.05 0.00 0.00 38.32 38.37 1iw4 h ASN 9 CO 0.00 -0.17 0.74 -2.16 -1.65 0.00 0.00 177.43 174.20 1iw4 s PRO 10 N -3.91 3.35 1.15 0.81 0.04 -1.26 -5.03 135.00 130.15 1iw4 s PRO 10 Ca -0.11 -1.23 -0.13 0.00 0.04 0.00 0.00 61.00 59.58 1iw4 s PRO 10 Cb 0.01 -4.60 0.28 0.00 0.04 0.00 0.00 34.50 30.23 1iw4 s PRO 10 CO 0.33 -1.84 1.04 -0.51 0.04 0.00 0.00 177.00 176.06 1iw4 s LEU 11 N 3.60 0.95 0.00 -3.56 2.01 -1.26 -4.22 118.68 116.19 1iw4 s LEU 11 Ca 0.28 1.54 0.00 0.00 0.01 0.00 0.00 54.13 55.97 1iw4 s LEU 11 Cb -0.11 -3.48 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1iw4 s LEU 11 CO 0.01 -4.13 0.00 0.00 1.01 0.00 0.00 176.35 173.23 1iw4 n ARG 13 N 0.00 1.10 -3.95 0.00 -4.01 -1.26 -4.60 116.66 103.93 1iw4 n ARG 13 Ca 0.00 -0.23 -0.30 0.00 -1.04 0.00 0.00 57.85 56.28 1iw4 n ARG 13 Cb 0.00 -1.09 -0.16 0.00 -3.04 0.00 0.00 32.46 28.17 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1iw4 h ASN 15 N 7.99 0.01 0.00 0.00 -0.26 -2.01 -3.41 115.58 117.91 1iw4 h ASN 15 Ca -0.23 -0.62 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 1iw4 h ASN 15 Cb 1.09 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 1iw4 h ASN 15 CO 0.43 1.40 0.00 1.17 -1.06 0.00 0.00 177.43 179.38 1iw4 n LYS 16 N -4.44 0.00 -0.61 0.81 3.00 -1.26 -4.48 118.16 111.18 1iw4 n LYS 16 Ca -0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 57.90 1iw4 n LYS 16 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.65 1iw4 n LYS 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1iw4 n MET 17 N 0.00 0.00 -2.68 1.64 2.81 -1.26 -3.59 117.12 114.04 1iw4 n MET 17 Ca 0.00 -0.38 -0.05 0.00 -1.81 0.00 0.00 57.70 55.46 1iw4 n MET 17 Cb 0.00 -1.61 0.05 0.00 -0.71 0.00 0.00 33.22 30.95 1iw4 n MET 17 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1iw4 n LEU 18 N 5.22 -1.45 0.00 4.03 -0.00 -1.26 -4.88 117.00 118.67 1iw4 n LEU 18 Ca 0.14 -2.39 0.00 0.00 -0.00 0.00 0.00 56.01 53.76 1iw4 n LEU 18 Cb 0.22 0.66 0.00 0.00 -0.00 0.00 0.00 43.42 44.30 1iw4 n LEU 18 CO 0.53 1.48 0.00 0.61 -0.00 0.00 0.00 177.39 180.01 1iw4 n GLY 19 N -0.32 -0.46 3.55 1.47 0.00 -1.06 -4.97 105.19 103.41 1iw4 n GLY 19 Ca -0.15 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.00 0.70 -1.16 1.61 1.11 -1.22 -4.79 116.67 111.91 1iw4 s ASP 20 Ca 0.00 0.69 -0.12 0.00 0.18 0.00 0.00 52.55 53.30 1iw4 s ASP 20 Cb 0.00 -0.97 0.21 0.00 1.07 0.00 0.00 42.92 43.22 1iw4 s ASP 20 CO 0.00 -4.27 1.31 -1.48 1.18 0.00 0.00 175.17 171.91 1iw4 s LEU 21 N -7.06 5.53 0.27 1.23 2.34 -1.26 -4.08 118.68 115.65 1iw4 s LEU 21 Ca 0.70 -3.18 -0.08 0.00 0.06 0.00 0.00 54.13 51.63 1iw4 s LEU 21 Cb -0.11 -2.33 -0.06 0.00 -0.56 0.00 0.00 46.19 43.13 1iw4 s LEU 21 CO 0.56 -0.59 0.57 -0.51 -1.06 0.00 0.00 176.35 175.32 1iw4 s ILE 22 N 0.59 4.96 -0.61 1.48 -1.16 -0.88 -0.33 121.20 125.25 1iw4 s ILE 22 Ca 0.38 0.30 -0.01 0.00 -0.51 0.00 0.00 60.65 60.82 1iw4 s ILE 22 Cb -0.05 -3.67 0.15 0.00 0.61 0.00 0.00 42.46 39.50 1iw4 s ILE 22 CO -0.03 -0.21 0.40 0.00 -2.81 0.00 0.00 174.94 172.29 1iw4 s ALA 24 N -0.19 3.03 -0.11 0.00 0.00 0.14 -0.32 121.76 124.31 1iw4 s ALA 24 Ca 0.17 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1iw4 s ALA 24 Cb -0.22 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1iw4 s ALA 24 CO -0.03 0.05 0.40 0.08 0.00 0.00 0.00 175.76 176.27 1iw4 s VAL 25 N -2.22 0.02 -0.42 0.00 1.01 0.18 0.11 120.40 119.07 1iw4 s VAL 25 Ca 0.62 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1iw4 s VAL 25 Cb -0.10 -0.62 0.18 0.00 0.00 0.00 0.00 36.38 35.84 1iw4 s VAL 25 CO 0.16 -0.08 0.64 0.27 0.00 0.00 0.00 175.10 176.09 1iw4 s ILE 26 N -0.35 -1.00 0.00 2.22 -0.00 -0.76 -2.60 121.20 118.71 1iw4 s ILE 26 Ca -0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 1iw4 s ILE 26 Cb -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 42.46 42.42 1iw4 s ILE 26 CO 0.02 -0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.57 1iw4 n GLY 27 N 4.22 0.60 0.59 6.27 0.00 -1.26 -2.21 105.19 113.40 1iw4 n GLY 27 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.51 0.03 -3.63 1.61 5.75 -1.26 -4.98 116.55 115.58 1iw4 n ASP 28 Ca 0.00 -1.69 -0.27 0.00 -0.01 0.00 0.00 54.79 52.82 1iw4 n ASP 28 Cb 0.00 -0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iw4 n ALA 29 N 0.03 3.26 -3.50 2.12 0.00 -0.94 -5.05 120.51 116.44 1iw4 n ALA 29 Ca -0.01 -4.05 -0.41 0.00 0.00 0.00 0.00 53.44 48.97 1iw4 n ALA 29 Cb 0.67 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 1iw4 n ALA 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1iw4 s LYS 30 N -1.12 2.55 0.22 0.00 2.20 -1.26 -1.84 119.74 120.49 1iw4 s LYS 30 Ca 0.30 -1.73 -0.13 0.00 -0.36 0.00 0.00 55.97 54.04 1iw4 s LYS 30 Cb 0.02 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1iw4 s LYS 30 CO -0.16 -1.19 0.45 -2.00 -0.36 0.00 0.00 175.35 172.10 1iw4 s GLU 31 N 1.40 1.42 0.88 4.03 2.12 0.12 -4.96 118.70 123.70 1iw4 s GLU 31 Ca 0.05 -1.12 -0.12 0.00 0.36 0.00 0.00 54.97 54.14 1iw4 s GLU 31 Cb -0.26 0.47 0.12 0.00 0.26 0.00 0.00 34.13 34.71 1iw4 s GLU 31 CO -0.00 -0.58 1.15 -1.21 -0.54 0.00 0.00 175.26 174.07 1iw4 s GLU 32 N -3.97 1.42 0.01 4.30 2.02 -1.26 0.24 118.70 121.46 1iw4 s GLU 32 Ca 0.17 0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 1iw4 s GLU 32 Cb -0.00 -1.88 0.07 0.00 0.10 0.00 0.00 34.13 32.42 1iw4 s GLU 32 CO 0.04 -2.00 0.66 -1.58 0.02 0.00 0.00 175.26 172.40 1iw4 s HIS 33 N -3.37 -0.62 -0.19 1.61 2.46 0.40 -4.71 115.29 110.87 1iw4 s HIS 33 Ca 0.63 0.89 -0.14 0.00 0.47 0.00 0.00 55.06 56.91 1iw4 s HIS 33 Cb -0.14 0.45 -0.08 0.00 -0.13 0.00 0.00 32.58 32.69 1iw4 s HIS 33 CO 0.52 -0.68 -0.31 0.54 -2.47 0.00 0.00 174.74 172.34 1iw4 n ARG 34 N 0.53 0.49 -1.62 2.88 5.12 -1.26 -2.08 116.66 120.73 1iw4 n ARG 34 Ca -0.18 0.20 -0.41 0.00 -1.93 0.00 0.00 57.85 55.53 1iw4 n ARG 34 Cb 0.59 -1.35 -0.01 0.00 -1.16 0.00 0.00 32.46 30.54 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 -4.25 4.83 0.17 0.55 4.05 -1.26 -2.55 115.26 116.79 1iw4 n ASN 35 Ca -0.28 -2.78 0.11 0.00 0.45 0.00 0.00 54.58 52.09 1iw4 n ASN 35 Cb 0.62 -1.62 0.60 0.00 1.23 0.00 0.00 39.78 40.62 1iw4 n ASN 35 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01 1iw4 n MET 36 N 5.60 0.14 -0.05 1.20 0.00 -1.26 -2.14 117.12 120.61 1iw4 n MET 36 Ca 0.57 0.64 -0.15 0.00 -0.00 0.00 0.00 57.70 58.76 1iw4 n MET 36 Cb 0.36 -1.97 -0.13 0.00 0.00 0.00 0.00 33.22 31.47 1iw4 n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1iw4 h ALA 38 N -0.02 1.03 0.11 0.00 0.00 -1.66 -1.73 119.26 117.00 1iw4 h ALA 38 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1iw4 h ALA 38 Cb 1.12 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.93 1iw4 h ALA 38 CO 0.01 0.01 -0.77 -0.07 0.00 0.00 0.00 179.25 178.43 1iw4 h LEU 39 N 0.00 0.48 -0.78 0.00 4.07 -1.53 -2.27 115.31 115.28 1iw4 h LEU 39 Ca -0.00 -0.92 -0.08 0.00 0.08 0.00 0.00 57.88 56.96 1iw4 h LEU 39 Cb 0.22 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1iw4 h LEU 39 CO 0.00 1.36 0.07 0.00 -1.08 0.00 0.00 178.44 178.79 1iw4 n GLU 42 N -3.90 0.10 -3.37 0.00 -0.58 -0.85 -4.87 120.64 107.16 1iw4 n GLU 42 Ca -0.06 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.56 1iw4 n GLU 42 Cb 0.71 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 1iw4 n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1iw4 s HIS 43 N -3.04 2.72 -0.74 -0.32 3.76 0.15 -5.04 115.29 112.77 1iw4 s HIS 43 Ca 0.12 -0.47 -0.26 0.00 -0.15 0.00 0.00 55.06 54.30 1iw4 s HIS 43 Cb 0.16 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.62 1iw4 s HIS 43 CO 0.59 -0.24 1.54 -2.14 -0.85 0.00 0.00 174.74 173.64 1iw4 s PRO 44 N -4.22 3.00 -1.94 8.40 0.02 -1.26 -3.63 135.00 135.37 1iw4 s PRO 44 Ca 0.51 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.46 1iw4 s PRO 44 Cb -0.06 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.02 1iw4 s PRO 44 CO 0.30 -2.44 0.00 0.41 -0.33 0.00 0.00 177.00 174.94 1iw4 n GLY 45 N 5.76 1.74 0.31 0.52 0.00 -1.26 -4.08 105.19 108.18 1iw4 n GLY 45 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.34 -0.33 3.14 -0.02 0.00 -1.20 -3.18 105.19 103.25 1iw4 n GLY 46 Ca -0.18 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 2.00 -2.10 -2.98 1.61 3.01 -1.26 -2.57 117.46 115.17 1iw4 n PHE 47 Ca 0.00 -0.02 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1iw4 n PHE 47 Cb 0.00 -1.45 -0.04 0.00 -0.01 0.00 0.00 39.48 37.98 1iw4 n PHE 47 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1iw4 s GLU 48 N -3.59 3.24 0.32 -1.08 -1.05 -1.07 -4.28 118.70 111.19 1iw4 s GLU 48 Ca 0.47 -1.31 0.08 0.00 -0.15 0.00 0.00 54.97 54.06 1iw4 s GLU 48 Cb -0.09 -4.43 -0.04 0.00 -0.44 0.00 0.00 34.13 29.14 1iw4 s GLU 48 CO 0.49 -1.69 0.17 1.52 0.95 0.00 0.00 175.26 176.70 1iw4 s TYR 49 N 3.08 2.80 -0.33 4.83 -0.85 -1.26 0.50 117.35 126.11 1iw4 s TYR 49 Ca 0.21 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.43 1iw4 s TYR 49 Cb -0.16 -1.62 0.13 0.00 0.38 0.00 0.00 41.96 40.70 1iw4 s TYR 49 CO 0.03 0.34 0.20 -1.54 -1.52 0.00 0.00 175.55 173.07 1iw4 s SER 50 N -3.87 2.91 0.13 -0.18 1.04 0.56 -4.71 113.70 109.58 1iw4 s SER 50 Ca 0.37 -1.79 -0.35 0.00 0.48 0.00 0.00 55.95 54.67 1iw4 s SER 50 Cb -0.04 -0.25 -0.16 0.00 0.10 0.00 0.00 66.02 65.67 1iw4 s SER 50 CO 0.24 -0.35 1.26 0.59 0.98 0.00 0.00 173.24 175.96 1iw4 n ASN 51 N 4.49 1.54 0.00 7.02 4.13 -1.26 -2.13 115.26 129.05 1iw4 n ASN 51 Ca 0.06 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.45 1iw4 n ASN 51 Cb 0.40 -1.21 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 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 2.30 2.42 3.77 7.41 0.00 0.54 -4.87 105.19 116.76 1iw4 n GLY 52 Ca 0.17 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.74 3.95 0.00 1.61 0.04 -1.26 -4.33 135.00 133.28 1iw4 s PRO 53 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1iw4 s PRO 53 Cb 0.00 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1iw4 s PRO 53 CO 0.00 -0.36 0.00 0.00 0.04 0.00 0.00 177.00 176.68