#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ro3 n GLU 3 N -1.13 -0.18 -1.51 0.00 1.02 -1.26 -5.01 120.64 112.57 1ro3 n GLU 3 Ca 0.56 0.38 -0.03 0.00 -0.02 0.00 0.00 57.16 58.05 1ro3 n GLU 3 Cb 1.52 -1.96 0.02 0.00 -0.02 0.00 0.00 31.44 31.00 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ro3 n SER 4 N -1.35 -0.81 -1.04 1.62 2.88 -1.26 -5.15 113.62 108.51 1ro3 n SER 4 Ca -0.00 -1.55 0.14 0.00 -1.33 0.00 0.00 58.87 56.12 1ro3 n SER 4 Cb 0.51 0.32 -0.04 0.00 -0.75 0.00 0.00 64.21 64.25 1ro3 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ro3 n GLY 5 N -0.48 -1.41 3.77 0.46 0.00 -1.26 -4.78 105.19 101.49 1ro3 n GLY 5 Ca -0.15 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1ro3 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ro3 s PRO 6 N -2.12 0.03 -0.17 1.61 0.04 -1.25 -1.39 135.00 131.75 1ro3 s PRO 6 Ca 0.00 -0.14 -0.01 0.00 0.04 0.00 0.00 61.00 60.90 1ro3 s PRO 6 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ro3 s PRO 6 CO 0.00 -2.87 0.09 0.00 0.04 0.00 0.00 177.00 174.27 1ro3 n ARG 9 N -0.96 0.00 0.00 0.00 0.00 -1.25 0.59 116.66 115.04 1ro3 n ARG 9 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1ro3 n ARG 9 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.29 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1ro3 n ASN 10 N 0.24 0.00 0.00 6.15 0.23 0.86 -1.12 115.26 121.63 1ro3 n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ro3 n ASN 10 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ro3 n LYS 12 N 0.00 0.00 -0.31 0.00 3.00 1.28 -4.95 118.16 117.18 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 12 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 34.82 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ro3 n PHE 13 N -0.97 0.00 -0.05 5.64 -0.00 -0.56 -4.74 117.46 116.79 1ro3 n PHE 13 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 1ro3 n PHE 13 Cb 0.00 -1.18 -0.01 0.00 -0.00 0.00 0.00 39.48 38.29 1ro3 n PHE 13 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1ro3 n LEU 14 N 0.00 1.30 0.00 -2.13 -0.00 -1.26 -4.67 117.00 110.24 1ro3 n LEU 14 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1ro3 n LEU 14 Cb 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1ro3 n LEU 14 CO 0.00 -0.43 0.00 2.29 -0.00 0.00 0.00 177.39 179.25 1ro3 n LYS 15 N -3.90 0.00 0.00 1.96 2.85 -1.26 -5.03 118.16 112.77 1ro3 n LYS 15 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1ro3 n LYS 15 Cb 0.25 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.63 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ro3 n GLU 16 N 0.00 0.00 0.00 -1.58 1.02 -1.26 -4.44 120.64 114.38 1ro3 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ro3 n GLU 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ro3 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ro3 n GLY 17 N 0.00 2.38 2.85 0.62 0.00 -1.26 -5.05 105.19 104.72 1ro3 n GLY 17 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ro3 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ro3 s THR 18 N 0.00 -0.51 0.60 2.61 2.01 -1.26 -4.73 115.64 114.36 1ro3 s THR 18 Ca 0.00 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 1ro3 s THR 18 Cb 0.00 0.00 -0.10 0.00 0.01 0.00 0.00 72.50 72.41 1ro3 s THR 18 CO 0.00 0.00 -0.82 0.00 -0.69 0.00 0.00 174.62 173.11 1ro3 n ILE 19 N 3.48 0.00 -0.00 1.82 3.06 -1.09 0.61 119.36 127.24 1ro3 n ILE 19 Ca 0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1ro3 n ILE 19 Cb 0.61 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.79 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ro3 n LYS 21 N -0.81 0.00 0.00 0.00 4.01 -1.26 -4.95 118.16 115.14 1ro3 n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ro3 n LYS 21 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ro3 n LYS 21 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ro3 n ARG 22 N 0.00 0.00 0.00 1.97 3.00 -1.26 -4.68 116.66 115.69 1ro3 n ARG 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ro3 n ARG 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 n ALA 23 N 0.00 0.00 0.00 5.13 0.00 -1.26 -4.85 120.51 119.53 1ro3 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ro3 n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ro3 n ALA 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ro3 n ARG 24 N 0.00 0.00 0.00 0.00 0.63 -1.26 -3.88 116.66 112.15 1ro3 n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ro3 n ARG 24 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ro3 n GLY 25 N 0.00 0.00 3.21 5.14 0.00 -1.26 -4.67 105.19 107.60 1ro3 n GLY 25 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ro3 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ro3 s ASP 26 N -0.09 5.02 0.43 1.61 1.01 -1.25 -5.09 116.67 118.32 1ro3 s ASP 26 Ca 0.00 -1.21 0.02 0.00 0.71 0.00 0.00 52.55 52.06 1ro3 s ASP 26 Cb 0.00 -1.76 0.02 0.00 1.01 0.00 0.00 42.92 42.18 1ro3 s ASP 26 CO 0.00 -0.28 0.14 -0.90 0.21 0.00 0.00 175.17 174.34 1ro3 n ASP 27 N 4.69 2.87 0.00 0.27 3.85 -1.26 -4.71 116.55 122.25 1ro3 n ASP 27 Ca -0.13 -2.73 0.00 0.00 -0.71 0.00 0.00 54.79 51.22 1ro3 n ASP 27 Cb 0.44 0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1ro3 n MET 28 N -1.26 0.00 0.00 0.11 2.81 -1.26 -4.80 117.12 112.71 1ro3 n MET 28 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1ro3 n MET 28 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1ro3 n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ro3 n ASP 29 N 0.00 0.00 -3.26 7.83 2.03 -1.11 -4.66 116.55 117.39 1ro3 n ASP 29 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1ro3 n ASP 29 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1ro3 n ASP 29 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ro3 s ASP 30 N 1.31 -0.41 0.51 1.67 1.11 0.23 -2.81 116.67 118.28 1ro3 s ASP 30 Ca 0.00 0.29 0.04 0.00 0.18 0.00 0.00 52.55 53.05 1ro3 s ASP 30 Cb 0.00 1.52 0.00 0.00 1.07 0.00 0.00 42.92 45.51 1ro3 s ASP 30 CO 0.00 -0.30 0.19 -0.72 1.18 0.00 0.00 175.17 175.52 1ro3 s TYR 31 N 2.67 1.87 0.00 4.23 1.13 2.61 -3.85 117.35 126.00 1ro3 s TYR 31 Ca 0.14 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 1ro3 s TYR 31 Cb -0.14 -1.79 0.00 0.00 -1.10 0.00 0.00 41.96 38.93 1ro3 s TYR 31 CO -0.21 -0.07 0.00 0.00 -2.51 0.00 0.00 175.55 172.76 1ro3 n ASN 33 N 0.00 0.00 0.00 0.00 5.15 -1.26 -3.34 115.26 115.80 1ro3 n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ro3 n ASN 33 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ro3 n GLY 34 N 0.00 0.65 0.02 8.20 0.00 -1.26 -4.55 105.19 108.25 1ro3 n GLY 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ro3 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ro3 n LYS 35 N -1.56 0.12 -3.63 1.61 4.76 -1.26 -4.69 118.16 113.51 1ro3 n LYS 35 Ca 0.00 0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 55.45 1ro3 n LYS 35 Cb 0.00 -0.84 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ro3 s THR 36 N -1.40 0.02 -0.50 -0.18 -4.23 -1.26 -3.80 115.64 104.29 1ro3 s THR 36 Ca -0.06 -0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 1ro3 s THR 36 Cb 0.01 -0.83 -0.09 0.00 1.34 0.00 0.00 72.50 72.93 1ro3 s THR 36 CO 0.08 -0.11 3.11 0.00 -0.54 0.00 0.00 174.62 177.16 1ro3 n ASP 38 N 1.96 3.10 -0.01 0.00 4.64 -1.26 0.30 116.55 125.27 1ro3 n ASP 38 Ca 0.52 -1.94 0.00 0.00 -1.38 0.00 0.00 54.79 51.98 1ro3 n ASP 38 Cb 0.63 -0.24 0.00 0.00 -1.04 0.00 0.00 41.12 40.47 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ro3 n PRO 40 N -0.94 2.22 -2.49 0.00 -0.04 -0.79 0.27 135.00 133.22 1ro3 n PRO 40 Ca 0.00 -2.14 0.01 0.00 -0.04 0.00 0.00 63.50 61.33 1ro3 n PRO 40 Cb 0.11 -3.02 0.04 0.00 -0.04 0.00 0.00 33.50 30.58 1ro3 n PRO 40 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ro3 n ARG 41 N 6.22 1.29 -2.65 0.54 0.63 -1.25 -4.34 116.66 117.09 1ro3 n ARG 41 Ca 0.52 -3.09 -0.33 0.00 -0.92 0.00 0.00 57.85 54.03 1ro3 n ARG 41 Cb 0.37 -1.17 -0.01 0.00 0.45 0.00 0.00 32.46 32.10 1ro3 n ARG 41 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ro3 n ASN 42 N -0.34 5.73 -0.33 6.15 2.04 -1.26 -2.65 115.26 124.61 1ro3 n ASN 42 Ca 0.06 -3.71 0.00 0.00 -0.44 0.00 0.00 54.58 50.49 1ro3 n ASN 42 Cb 0.89 -0.78 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 1ro3 n ASN 42 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ro3 n PRO 43 N -0.27 0.75 0.00 -0.53 -0.04 -1.26 0.76 135.00 134.41 1ro3 n PRO 43 Ca 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1ro3 n PRO 43 Cb 0.38 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1ro3 n PRO 43 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ro3 n HIS 44 N -0.09 0.00 0.00 0.54 8.25 -1.26 -4.60 115.22 118.06 1ro3 n HIS 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ro3 n HIS 44 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1ro3 n HIS 44 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ro3 n LYS 45 N 0.00 0.00 0.00 -0.41 5.02 -1.26 -4.04 118.16 117.47 1ro3 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ro3 n LYS 45 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ro3 n GLY 46 N -0.92 0.00 0.00 0.72 0.00 -1.26 -4.82 105.19 98.91 1ro3 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ro3 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ro3 n PRO 47 N 0.00 0.00 -0.46 1.61 -0.04 -0.95 -5.05 135.00 130.10 1ro3 n PRO 47 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ro3 n PRO 47 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ro3 n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ro3 n ALA 48 N -3.00 -1.36 -0.61 0.55 0.00 0.23 -4.91 120.51 111.41 1ro3 n ALA 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ro3 n ALA 48 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91