#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 1.43 0.04 0.00 -0.00 -1.21 -3.56 115.22 111.92 1iw4 n HIS 2 Ca 0.00 -2.10 0.00 0.00 -0.00 0.00 0.00 57.72 55.62 1iw4 n HIS 2 Cb 0.00 -1.63 0.00 0.00 -0.00 0.00 0.00 29.99 28.36 1iw4 n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iw4 n MET 3 N 1.74 0.00 -1.43 -0.41 -0.00 -1.25 -4.68 117.12 111.08 1iw4 n MET 3 Ca 0.53 0.00 -0.48 0.00 -0.00 0.00 0.00 57.70 57.74 1iw4 n MET 3 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 33.22 33.69 1iw4 n MET 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1iw4 n ASP 4 N -2.62 1.46 -0.22 3.17 9.92 -1.26 -4.82 116.55 122.18 1iw4 n ASP 4 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1iw4 n ASP 4 Cb 0.00 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.33 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 0.22 0.07 0.00 0.00 1.35 -1.88 -3.43 112.91 109.24 1iw4 h THR 6 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1iw4 h THR 6 Cb 0.00 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1iw4 h THR 6 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1iw4 n GLU 7 N -3.03 0.00 -0.07 4.72 1.02 -1.26 -4.65 120.64 117.36 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 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1iw4 n GLU 7 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1iw4 n PHE 8 N 0.00 -0.07 0.14 -0.32 3.72 -1.26 -5.07 117.46 114.60 1iw4 n PHE 8 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1iw4 n PHE 8 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.34 -2.37 4.37 -0.26 -2.03 -3.38 115.58 111.57 1iw4 h ASN 9 Ca 0.00 -0.20 -0.70 0.00 -0.56 0.00 0.00 56.30 54.84 1iw4 h ASN 9 Cb 0.00 0.09 -0.18 0.00 -1.06 0.00 0.00 38.32 37.17 1iw4 h ASN 9 CO 0.00 0.10 0.94 -2.16 -1.06 0.00 0.00 177.43 175.25 1iw4 s PRO 10 N -4.05 3.71 1.22 0.81 0.04 -1.26 -5.03 135.00 130.44 1iw4 s PRO 10 Ca -0.13 -1.95 -0.18 0.00 0.04 0.00 0.00 61.00 58.78 1iw4 s PRO 10 Cb 0.01 -4.94 0.25 0.00 0.04 0.00 0.00 34.50 29.86 1iw4 s PRO 10 CO 0.47 -1.76 0.57 1.28 0.04 0.00 0.00 177.00 177.60 1iw4 n LEU 11 N 6.31 -1.38 0.00 -3.56 4.77 -1.26 -3.99 117.00 117.88 1iw4 n LEU 11 Ca 0.27 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1iw4 n LEU 11 Cb 0.48 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1iw4 n LEU 11 CO 0.53 -3.67 0.00 0.00 -1.33 0.00 0.00 177.39 172.91 1iw4 n ARG 13 N 0.00 1.60 -1.54 0.00 0.63 -1.26 -4.78 116.66 111.31 1iw4 n ARG 13 Ca 0.00 -1.14 0.00 0.00 -0.92 0.00 0.00 57.85 55.79 1iw4 n ARG 13 Cb 0.00 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1iw4 n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iw4 n ASN 15 N -1.49 0.00 -0.11 0.00 4.05 -1.26 -4.97 115.26 111.48 1iw4 n ASN 15 Ca 0.00 0.00 0.04 0.00 0.45 0.00 0.00 54.58 55.07 1iw4 n ASN 15 Cb 0.00 0.00 0.06 0.00 1.23 0.00 0.00 39.78 41.07 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 0.00 1.48 -0.06 1.20 3.00 -1.26 -4.63 118.16 117.89 1iw4 n LYS 16 Ca 0.00 -1.79 -0.03 0.00 -0.00 0.00 0.00 58.31 56.50 1iw4 n LYS 16 Cb 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.78 -0.76 -0.99 1.64 0.00 -1.26 -4.61 117.12 110.36 1iw4 n MET 17 Ca 0.07 -0.13 -0.40 0.00 0.00 0.00 0.00 57.70 57.23 1iw4 n MET 17 Cb 0.51 -0.23 -0.06 0.00 0.00 0.00 0.00 33.22 33.44 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 0.00 3.65 0.00 3.17 -0.00 -1.26 -4.23 117.00 118.33 1iw4 n LEU 18 Ca 0.01 -2.65 0.00 0.00 -0.00 0.00 0.00 56.01 53.37 1iw4 n LEU 18 Cb 0.06 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 1iw4 n LEU 18 CO 0.04 -0.51 0.00 0.61 -0.00 0.00 0.00 177.39 177.53 1iw4 n GLY 19 N 4.50 -2.88 3.94 1.47 0.00 -1.26 -4.97 105.19 106.00 1iw4 n GLY 19 Ca 0.47 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.79 4.35 -1.05 1.61 1.11 -0.12 -4.81 116.67 115.98 1iw4 s ASP 20 Ca 0.00 0.23 -0.12 0.00 0.18 0.00 0.00 52.55 52.84 1iw4 s ASP 20 Cb 0.00 -0.69 0.24 0.00 1.07 0.00 0.00 42.92 43.54 1iw4 s ASP 20 CO 0.00 -1.89 1.08 -1.48 1.18 0.00 0.00 175.17 174.06 1iw4 s LEU 21 N -5.35 6.17 0.22 1.23 2.34 -1.26 -3.75 118.68 118.27 1iw4 s LEU 21 Ca 0.64 -3.19 0.01 0.00 0.06 0.00 0.00 54.13 51.65 1iw4 s LEU 21 Cb -0.08 -2.25 -0.04 0.00 -0.56 0.00 0.00 46.19 43.26 1iw4 s LEU 21 CO 0.46 -0.47 0.40 -0.51 -1.06 0.00 0.00 176.35 175.16 1iw4 s ILE 22 N -0.24 5.21 -0.65 1.48 -1.16 -0.96 0.10 121.20 124.99 1iw4 s ILE 22 Ca 0.30 -0.50 0.01 0.00 -0.51 0.00 0.00 60.65 59.94 1iw4 s ILE 22 Cb -0.09 -3.77 0.16 0.00 0.61 0.00 0.00 42.46 39.38 1iw4 s ILE 22 CO -0.07 -0.24 0.45 0.00 -2.81 0.00 0.00 174.94 172.27 1iw4 s ALA 24 N -0.57 3.59 0.02 0.00 0.00 -0.29 -1.03 121.76 123.49 1iw4 s ALA 24 Ca 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1iw4 s ALA 24 Cb -0.18 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1iw4 s ALA 24 CO -0.06 0.32 -0.08 0.54 0.00 0.00 0.00 175.76 176.48 1iw4 s VAL 25 N -0.62 0.60 -0.38 0.00 0.11 0.24 -0.06 120.40 120.28 1iw4 s VAL 25 Ca 0.27 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1iw4 s VAL 25 Cb -0.17 -0.59 0.17 0.00 -1.53 0.00 0.00 36.38 34.26 1iw4 s VAL 25 CO 0.15 -0.13 0.50 0.27 -3.33 0.00 0.00 175.10 172.56 1iw4 s ILE 26 N -0.82 -0.66 0.00 7.04 -0.00 -0.83 -2.86 121.20 123.08 1iw4 s ILE 26 Ca -0.03 -0.50 0.00 0.00 -0.00 0.00 0.00 60.65 60.11 1iw4 s ILE 26 Cb -0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 42.46 42.01 1iw4 s ILE 26 CO 0.00 -0.30 0.00 0.61 -0.00 0.00 0.00 174.94 175.26 1iw4 n GLY 27 N 4.38 0.71 0.75 6.27 0.00 -1.26 -2.19 105.19 113.86 1iw4 n GLY 27 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 1.82 -0.05 -3.67 1.61 5.68 -1.26 -5.00 116.55 115.68 1iw4 n ASP 28 Ca 0.00 -1.63 -0.27 0.00 -0.50 0.00 0.00 54.79 52.38 1iw4 n ASP 28 Cb 0.00 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 1iw4 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iw4 n ALA 29 N 0.08 3.22 -2.97 2.12 0.00 -0.93 -5.06 120.51 116.97 1iw4 n ALA 29 Ca -0.05 -3.99 -0.41 0.00 0.00 0.00 0.00 53.44 48.99 1iw4 n ALA 29 Cb 0.69 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1iw4 n ALA 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1iw4 s LYS 30 N -0.95 2.78 0.24 0.00 0.00 -1.26 -1.96 119.74 118.59 1iw4 s LYS 30 Ca 0.29 -1.26 -0.18 0.00 0.00 0.00 0.00 55.97 54.82 1iw4 s LYS 30 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 37.83 34.02 1iw4 s LYS 30 CO -0.17 -0.85 0.59 -2.00 0.00 0.00 0.00 175.35 172.92 1iw4 s GLU 31 N 1.53 1.58 0.77 1.78 2.56 0.91 -4.97 118.70 122.86 1iw4 s GLU 31 Ca 0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 54.97 53.88 1iw4 s GLU 31 Cb -0.21 0.54 0.06 0.00 2.00 0.00 0.00 34.13 36.52 1iw4 s GLU 31 CO 0.05 -0.69 1.09 -2.00 -0.56 0.00 0.00 175.26 173.15 1iw4 s GLU 32 N -3.93 2.28 -0.14 4.30 2.56 -1.26 -1.13 118.70 121.38 1iw4 s GLU 32 Ca 0.13 0.75 -0.10 0.00 0.00 0.00 0.00 54.97 55.75 1iw4 s GLU 32 Cb -0.03 -1.93 0.04 0.00 2.00 0.00 0.00 34.13 34.21 1iw4 s GLU 32 CO 0.04 -1.51 0.35 -1.01 -0.56 0.00 0.00 175.26 172.57 1iw4 s HIS 33 N -3.11 -0.44 0.00 5.30 3.76 -0.49 -4.80 115.29 115.51 1iw4 s HIS 33 Ca 0.60 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 56.53 1iw4 s HIS 33 Cb -0.15 0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.70 1iw4 s HIS 33 CO 0.55 -0.24 0.00 0.54 -0.85 0.00 0.00 174.74 174.74 1iw4 n ARG 34 N 3.51 0.00 -1.65 1.40 3.00 -1.25 -2.26 116.66 119.42 1iw4 n ARG 34 Ca -0.18 0.16 -0.42 0.00 -0.01 0.00 0.00 57.85 57.40 1iw4 n ARG 34 Cb 0.56 -0.63 -0.01 0.00 0.00 0.00 0.00 32.46 32.39 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 -1.08 4.29 -0.34 0.55 4.13 -1.26 -0.94 115.26 120.61 1iw4 n ASN 35 Ca 0.00 -2.80 0.36 0.00 1.68 0.00 0.00 54.58 53.82 1iw4 n ASN 35 Cb 0.00 -1.62 0.73 0.00 -1.54 0.00 0.00 39.78 37.35 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 6.00 0.00 -0.39 3.52 1.85 -1.86 0.45 114.93 124.51 1iw4 h MET 36 Ca 0.59 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.67 1iw4 h MET 36 Cb 0.60 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.61 1iw4 h MET 36 CO 1.88 0.00 0.20 0.00 -0.40 0.00 0.00 176.91 178.59 1iw4 h ALA 38 N 1.06 1.92 -0.13 0.00 0.00 -0.36 -1.62 119.26 120.12 1iw4 h ALA 38 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1iw4 h ALA 38 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iw4 h ALA 38 CO -0.02 0.03 -0.24 -0.07 0.00 0.00 0.00 179.25 178.95 1iw4 h LEU 39 N 0.00 0.45 -1.67 0.00 3.38 -1.05 0.90 115.31 117.31 1iw4 h LEU 39 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1iw4 h LEU 39 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1iw4 h LEU 39 CO 0.00 0.91 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1iw4 n GLU 42 N -3.43 1.81 -1.90 0.00 0.00 0.30 -4.94 120.64 112.49 1iw4 n GLU 42 Ca -0.17 -1.23 -0.29 0.00 0.00 0.00 0.00 57.16 55.47 1iw4 n GLU 42 Cb 1.04 -1.40 0.07 0.00 0.00 0.00 0.00 31.44 31.15 1iw4 n GLU 42 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 1iw4 s HIS 43 N -1.75 3.11 0.00 4.31 -3.43 0.19 -4.99 115.29 112.73 1iw4 s HIS 43 Ca 0.32 0.87 -0.08 0.00 -0.80 0.00 0.00 55.06 55.38 1iw4 s HIS 43 Cb 0.18 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.97 1iw4 s HIS 43 CO 0.26 -1.52 0.76 -1.35 -2.00 0.00 0.00 174.74 170.89 1iw4 h PRO 44 N -0.88 -0.27 0.00 -0.38 0.11 -1.92 -3.45 132.00 125.21 1iw4 h PRO 44 Ca -0.46 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1iw4 h PRO 44 Cb 1.30 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.39 1iw4 h PRO 44 CO 0.65 -0.18 -0.21 0.41 -0.21 0.00 0.00 178.00 178.46 1iw4 n GLY 45 N -0.10 0.73 0.00 -0.55 0.00 -1.26 -5.03 105.19 98.98 1iw4 n GLY 45 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.02 -0.52 3.70 -0.02 0.00 -1.26 -5.13 105.19 101.98 1iw4 n GLY 46 Ca -0.14 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 2.16 -3.60 1.61 3.01 -1.26 -4.89 117.46 114.49 1iw4 n PHE 47 Ca 0.00 0.51 -0.40 0.00 1.01 0.00 0.00 57.45 58.57 1iw4 n PHE 47 Cb 0.00 -2.38 -0.11 0.00 -0.01 0.00 0.00 39.48 36.97 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 -2.16 3.23 0.11 -1.08 2.12 -1.13 -3.92 118.70 115.87 1iw4 s GLU 48 Ca 0.60 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 55.16 1iw4 s GLU 48 Cb -0.51 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 1iw4 s GLU 48 CO 0.59 -0.51 -0.09 1.52 -0.54 0.00 0.00 175.26 176.23 1iw4 s TYR 49 N 1.63 1.08 -0.37 5.30 -0.85 -1.23 0.80 117.35 123.72 1iw4 s TYR 49 Ca 0.04 -0.75 0.01 0.00 -0.52 0.00 0.00 57.07 55.85 1iw4 s TYR 49 Cb -0.18 -0.58 0.12 0.00 0.38 0.00 0.00 41.96 41.70 1iw4 s TYR 49 CO 0.08 -0.01 0.16 -1.54 -1.52 0.00 0.00 175.55 172.72 1iw4 s SER 50 N -2.83 3.85 0.14 -0.18 1.04 -0.20 -2.57 113.70 112.95 1iw4 s SER 50 Ca 0.11 -2.10 -0.35 0.00 0.48 0.00 0.00 55.95 54.09 1iw4 s SER 50 Cb 0.01 -0.95 -0.15 0.00 0.10 0.00 0.00 66.02 65.03 1iw4 s SER 50 CO -0.01 -0.35 1.35 0.59 0.98 0.00 0.00 173.24 175.80 1iw4 n ASN 51 N 4.23 1.99 0.00 7.02 4.13 -1.26 -2.15 115.26 129.22 1iw4 n ASN 51 Ca 0.03 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.41 1iw4 n ASN 51 Cb 0.39 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 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 2.53 0.29 3.66 7.41 0.00 0.29 -4.89 105.19 114.47 1iw4 n GLY 52 Ca 0.16 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 0.50 0.01 1.61 -0.04 -1.26 -4.25 135.00 131.57 1iw4 n PRO 53 Ca 0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1iw4 n PRO 53 Cb 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1iw4 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46