#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 -0.24 0.00 -0.00 -1.26 -5.07 115.22 108.65 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 -1.33 -0.00 0.00 0.00 176.34 175.01 1iw4 n MET 3 N 0.00 -0.55 -1.75 -0.41 2.00 -1.26 -4.87 117.12 110.28 1iw4 n MET 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1iw4 n MET 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1iw4 n MET 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1iw4 s ASP 4 N -1.64 6.50 0.00 7.83 1.01 -1.26 -4.99 116.67 124.11 1iw4 s ASP 4 Ca 0.00 2.57 0.00 0.00 0.71 0.00 0.00 52.55 55.83 1iw4 s ASP 4 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1iw4 s ASP 4 CO 0.00 -1.02 0.00 0.00 0.21 0.00 0.00 175.17 174.36 1iw4 n THR 6 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.75 114.28 107.23 1iw4 n THR 6 Ca 0.00 1.19 0.00 0.00 -2.04 0.00 0.00 64.05 63.20 1iw4 n THR 6 Cb 0.00 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 1iw4 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iw4 n GLU 7 N -1.70 0.00 0.00 -2.82 1.02 -1.26 -4.96 120.64 110.92 1iw4 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iw4 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1iw4 n PHE 8 N 0.00 0.00 0.10 -0.32 1.16 -1.26 -5.06 117.46 112.07 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 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 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 -0.24 -0.35 5.98 4.21 -2.05 -3.36 115.58 119.78 1iw4 h ASN 9 Ca 0.00 -0.26 -0.15 0.00 1.21 0.00 0.00 56.30 57.10 1iw4 h ASN 9 Cb 0.00 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1iw4 h ASN 9 CO 0.00 0.17 0.47 -2.16 -1.29 0.00 0.00 177.43 174.62 1iw4 s PRO 10 N -4.43 1.85 0.00 0.81 0.04 -1.26 -4.90 135.00 127.11 1iw4 s PRO 10 Ca -0.14 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.40 1iw4 s PRO 10 Cb 0.02 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1iw4 s PRO 10 CO 0.56 -4.57 0.00 1.47 0.04 0.00 0.00 177.00 174.50 1iw4 n LEU 11 N 17.08 0.00 0.00 -3.56 -0.00 -1.26 -3.79 117.00 125.47 1iw4 n LEU 11 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1iw4 n LEU 11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1iw4 n LEU 11 CO 0.61 -0.95 0.00 0.00 -0.00 0.00 0.00 177.39 177.05 1iw4 n ARG 13 N 0.00 2.26 -4.24 0.00 5.12 -1.25 -4.70 116.66 113.85 1iw4 n ARG 13 Ca 0.00 -1.84 -0.26 0.00 -1.93 0.00 0.00 57.85 53.82 1iw4 n ARG 13 Cb 0.00 -1.79 -0.06 0.00 -1.16 0.00 0.00 32.46 29.45 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw4 n ASN 15 N -1.38 0.00 -1.31 0.00 4.05 -1.26 -4.82 115.26 110.55 1iw4 n ASN 15 Ca -0.14 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1iw4 n ASN 15 Cb 0.55 0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.79 1iw4 n ASN 15 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1iw4 n LYS 16 N -1.96 0.51 -1.27 1.20 3.00 -1.26 -4.85 118.16 113.54 1iw4 n LYS 16 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1iw4 n LYS 16 Cb 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 35.03 33.82 1iw4 n LYS 16 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1iw4 n MET 17 N 1.16 0.15 -0.75 1.64 0.00 -1.26 -4.67 117.12 113.39 1iw4 n MET 17 Ca 0.00 0.06 -0.25 0.00 -0.00 0.00 0.00 57.70 57.51 1iw4 n MET 17 Cb 0.26 -1.28 -0.03 0.00 0.00 0.00 0.00 33.22 32.17 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 1.77 4.11 -2.73 -0.89 -0.00 -1.26 -4.65 117.00 113.35 1iw4 n LEU 18 Ca 0.08 -2.66 -0.04 0.00 -0.00 0.00 0.00 56.01 53.39 1iw4 n LEU 18 Cb 0.49 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1iw4 n LEU 18 CO 0.53 0.12 -0.04 0.61 -0.00 0.00 0.00 177.39 178.61 1iw4 n GLY 19 N 4.00 -0.18 3.68 1.47 0.00 -1.26 -4.86 105.19 108.04 1iw4 n GLY 19 Ca 0.41 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.24 2.37 -0.53 1.61 1.11 -1.24 -4.99 116.67 112.76 1iw4 s ASP 20 Ca 0.00 0.99 0.07 0.00 0.18 0.00 0.00 52.55 53.79 1iw4 s ASP 20 Cb -0.00 -1.54 0.31 0.00 1.07 0.00 0.00 42.92 42.76 1iw4 s ASP 20 CO 0.13 -3.27 0.81 0.00 1.18 0.00 0.00 175.17 174.02 1iw4 n LEU 21 N -4.24 3.10 -4.80 1.23 -0.00 -1.25 -4.03 117.00 107.01 1iw4 n LEU 21 Ca 0.07 -5.38 -0.35 0.00 -0.00 0.00 0.00 56.01 50.35 1iw4 n LEU 21 Cb 0.58 -0.20 -0.06 0.00 -0.00 0.00 0.00 43.42 43.74 1iw4 n LEU 21 CO 0.55 2.24 0.66 -0.51 -0.00 0.00 0.00 177.39 180.32 1iw4 s ILE 22 N -3.20 4.25 -0.80 1.47 -1.16 -0.59 -0.32 121.20 120.85 1iw4 s ILE 22 Ca 0.43 1.59 -0.03 0.00 -0.51 0.00 0.00 60.65 62.14 1iw4 s ILE 22 Cb 0.25 -3.76 0.20 0.00 0.61 0.00 0.00 42.46 39.76 1iw4 s ILE 22 CO -0.09 -0.12 0.66 0.00 -2.81 0.00 0.00 174.94 172.58 1iw4 s ALA 24 N -0.83 3.50 0.04 0.00 0.00 -0.18 -1.41 121.76 122.89 1iw4 s ALA 24 Ca 0.23 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1iw4 s ALA 24 Cb -0.12 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1iw4 s ALA 24 CO -0.09 0.34 -0.09 0.54 0.00 0.00 0.00 175.76 176.46 1iw4 s VAL 25 N -1.18 0.67 -0.39 0.00 0.11 0.22 0.36 120.40 120.19 1iw4 s VAL 25 Ca 0.34 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1iw4 s VAL 25 Cb -0.21 -0.69 0.14 0.00 -1.53 0.00 0.00 36.38 34.09 1iw4 s VAL 25 CO 0.23 -0.27 0.23 0.27 -3.33 0.00 0.00 175.10 172.23 1iw4 s ILE 26 N -1.18 0.64 0.00 7.04 -0.00 -0.67 -2.59 121.20 124.44 1iw4 s ILE 26 Ca -0.06 -2.06 0.00 0.00 -0.00 0.00 0.00 60.65 58.52 1iw4 s ILE 26 Cb -0.09 -1.46 0.00 0.00 -0.00 0.00 0.00 42.46 40.91 1iw4 s ILE 26 CO 0.01 -0.96 0.00 0.61 -0.00 0.00 0.00 174.94 174.60 1iw4 n GLY 27 N 3.81 0.90 0.79 6.27 0.00 -1.26 -2.11 105.19 113.59 1iw4 n GLY 27 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 2.25 -0.35 -3.76 1.61 8.00 -1.26 -5.03 116.55 118.01 1iw4 n ASP 28 Ca 0.00 -1.58 -0.28 0.00 0.71 0.00 0.00 54.79 53.64 1iw4 n ASP 28 Cb 0.00 0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.07 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iw4 s ALA 29 N 0.00 2.84 -0.11 2.24 0.00 -0.90 -5.09 121.76 120.74 1iw4 s ALA 29 Ca 0.03 -3.17 -0.14 0.00 0.00 0.00 0.00 51.96 48.67 1iw4 s ALA 29 Cb 0.03 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1iw4 s ALA 29 CO -0.01 -2.05 0.33 -1.59 0.00 0.00 0.00 175.76 172.44 1iw4 s LYS 30 N -0.54 4.12 0.21 0.00 -2.85 -1.26 -1.67 119.74 117.75 1iw4 s LYS 30 Ca 0.24 0.20 -0.19 0.00 -1.00 0.00 0.00 55.97 55.21 1iw4 s LYS 30 Cb -0.11 -3.36 0.03 0.00 -2.06 0.00 0.00 37.83 32.34 1iw4 s LYS 30 CO -0.11 0.37 0.58 -1.83 0.10 0.00 0.00 175.35 174.47 1iw4 s GLU 31 N 0.02 1.46 0.35 1.78 -1.05 0.16 -4.96 118.70 116.45 1iw4 s GLU 31 Ca 0.19 -0.82 -0.13 0.00 -0.15 0.00 0.00 54.97 54.06 1iw4 s GLU 31 Cb -0.14 0.55 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 1iw4 s GLU 31 CO 0.07 -0.64 0.74 -1.21 0.95 0.00 0.00 175.26 175.18 1iw4 s GLU 32 N -3.86 3.91 -0.00 -4.83 2.02 -1.26 -1.01 118.70 113.66 1iw4 s GLU 32 Ca 0.08 0.58 -0.09 0.00 0.02 0.00 0.00 54.97 55.57 1iw4 s GLU 32 Cb -0.02 -2.42 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1iw4 s GLU 32 CO -0.02 0.09 0.17 -1.58 0.02 0.00 0.00 175.26 173.93 1iw4 s HIS 33 N -2.13 -0.01 -0.24 1.61 2.46 -0.30 -4.89 115.29 111.79 1iw4 s HIS 33 Ca 0.53 -0.04 -0.14 0.00 0.47 0.00 0.00 55.06 55.88 1iw4 s HIS 33 Cb -0.10 -0.02 -0.10 0.00 -0.13 0.00 0.00 32.58 32.23 1iw4 s HIS 33 CO 0.23 -0.30 -0.33 0.54 -2.47 0.00 0.00 174.74 172.41 1iw4 n ARG 34 N 1.48 0.53 -1.35 2.88 3.00 -1.26 -1.55 116.66 120.40 1iw4 n ARG 34 Ca -0.22 0.23 -0.39 0.00 -0.01 0.00 0.00 57.85 57.46 1iw4 n ARG 34 Cb 0.56 -1.40 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 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 -4.20 8.11 0.00 0.55 5.03 -1.26 -3.61 115.26 119.88 1iw4 n ASN 35 Ca -0.42 -2.60 0.23 0.00 0.87 0.00 0.00 54.58 52.66 1iw4 n ASN 35 Cb 0.77 -1.56 0.68 0.00 -1.02 0.00 0.00 39.78 38.65 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 5.15 0.00 0.51 3.52 1.85 -1.95 -1.73 114.93 122.28 1iw4 h MET 36 Ca 0.83 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.90 1iw4 h MET 36 Cb 0.32 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.36 1iw4 h MET 36 CO 1.80 0.00 -0.24 0.00 -0.40 0.00 0.00 176.91 178.06 1iw4 h ALA 38 N -1.51 1.74 0.04 0.00 0.00 -1.60 -0.46 119.26 117.47 1iw4 h ALA 38 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iw4 h ALA 38 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iw4 h ALA 38 CO 0.11 -0.61 -0.02 1.25 0.00 0.00 0.00 179.25 179.99 1iw4 h LEU 39 N 0.00 -0.05 -1.59 0.00 5.85 -1.23 0.57 115.31 118.87 1iw4 h LEU 39 Ca 0.08 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1iw4 h LEU 39 Cb 1.12 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1iw4 h LEU 39 CO -0.00 0.65 -0.09 0.00 -0.34 0.00 0.00 178.44 178.66 1iw4 n GLU 42 N -3.35 3.75 -1.84 0.00 2.13 0.20 -4.99 120.64 116.55 1iw4 n GLU 42 Ca -0.30 -2.91 -0.30 0.00 0.66 0.00 0.00 57.16 54.31 1iw4 n GLU 42 Cb 1.05 -1.90 0.07 0.00 0.27 0.00 0.00 31.44 30.92 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1iw4 s HIS 43 N -1.82 3.12 -0.00 4.31 -3.43 0.30 -4.94 115.29 112.83 1iw4 s HIS 43 Ca 0.52 0.96 -0.01 0.00 -0.80 0.00 0.00 55.06 55.73 1iw4 s HIS 43 Cb 0.33 -3.22 -0.01 0.00 -1.43 0.00 0.00 32.58 28.26 1iw4 s HIS 43 CO 0.26 -1.48 0.63 -1.35 -2.00 0.00 0.00 174.74 170.80 1iw4 h PRO 44 N -0.86 -0.05 0.00 -0.38 0.11 -1.94 -3.43 132.00 125.46 1iw4 h PRO 44 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iw4 h PRO 44 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1iw4 h PRO 44 CO 0.64 -0.03 -0.17 0.41 -0.21 0.00 0.00 178.00 178.63 1iw4 n GLY 45 N 0.16 -0.43 0.00 -0.55 0.00 -1.26 -5.00 105.19 98.11 1iw4 n GLY 45 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.21 3.68 -0.02 0.00 -1.26 -4.86 105.19 102.76 1iw4 n GLY 46 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 2.00 -3.37 1.61 3.01 -1.26 -4.81 117.46 114.64 1iw4 n PHE 47 Ca 0.00 0.53 -0.38 0.00 1.01 0.00 0.00 57.45 58.61 1iw4 n PHE 47 Cb 0.00 -2.36 -0.06 0.00 -0.01 0.00 0.00 39.48 37.05 1iw4 n PHE 47 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iw4 s GLU 48 N -2.06 4.11 0.14 -1.08 2.12 -1.07 -4.71 118.70 116.15 1iw4 s GLU 48 Ca 0.60 0.57 -0.18 0.00 0.36 0.00 0.00 54.97 56.32 1iw4 s GLU 48 Cb -0.54 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 30.63 1iw4 s GLU 48 CO 0.59 0.58 0.47 1.52 -0.54 0.00 0.00 175.26 177.88 1iw4 s TYR 49 N -0.82 -0.29 -0.32 5.30 1.13 -1.26 0.70 117.35 121.79 1iw4 s TYR 49 Ca 0.27 0.00 -0.00 0.00 -1.41 0.00 0.00 57.07 55.93 1iw4 s TYR 49 Cb -0.18 0.36 0.13 0.00 -1.10 0.00 0.00 41.96 41.17 1iw4 s TYR 49 CO 0.16 -0.76 0.27 -1.12 -2.51 0.00 0.00 175.55 171.58 1iw4 s SER 50 N -2.79 2.15 0.15 -0.18 0.01 -0.50 -4.44 113.70 108.10 1iw4 s SER 50 Ca 0.03 -1.28 -0.33 0.00 1.31 0.00 0.00 55.95 55.67 1iw4 s SER 50 Cb 0.01 0.20 -0.16 0.00 0.21 0.00 0.00 66.02 66.28 1iw4 s SER 50 CO -0.12 -0.36 1.14 0.59 0.41 0.00 0.00 173.24 174.91 1iw4 n ASN 51 N 4.85 1.13 0.00 2.44 5.03 -1.26 -1.99 115.26 125.47 1iw4 n ASN 51 Ca 0.02 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.61 1iw4 n ASN 51 Cb 0.44 -1.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 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 2.02 -1.46 3.77 7.41 0.00 0.56 -4.86 105.19 112.63 1iw4 n GLY 52 Ca 0.16 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 3.83 0.00 1.61 0.04 -1.26 -4.19 135.00 135.03 1iw4 s PRO 53 Ca 0.00 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1iw4 s PRO 53 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1iw4 s PRO 53 CO 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 177.00 176.42