#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 -4.96 0.22 0.00 0.00 2.13 -1.26 -5.01 120.64 111.76 1ro3 n GLU 3 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1ro3 n GLU 3 Cb 0.19 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.31 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ro3 n SER 4 N -1.37 0.00 -4.78 4.31 2.88 -1.26 -5.13 113.62 108.26 1ro3 n SER 4 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1ro3 n SER 4 Cb 0.08 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 1ro3 n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ro3 s GLY 5 N 0.00 2.80 0.74 0.46 0.00 -1.26 -4.12 107.32 105.93 1ro3 s GLY 5 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 1ro3 s GLY 5 CO 0.00 0.79 1.08 2.56 0.00 0.00 0.00 173.10 177.52 1ro3 s PRO 6 N -0.82 2.59 0.00 2.90 0.04 -1.22 -3.52 135.00 134.97 1ro3 s PRO 6 Ca 0.34 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1ro3 s PRO 6 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1ro3 s PRO 6 CO 0.23 -1.31 0.00 0.00 0.04 0.00 0.00 177.00 175.96 1ro3 n ARG 9 N 1.62 -0.08 -2.34 0.00 1.85 -1.25 -1.44 116.66 115.02 1ro3 n ARG 9 Ca 0.02 0.55 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 1ro3 n ARG 9 Cb 0.71 -0.82 0.05 0.00 -1.05 0.00 0.00 32.46 31.35 1ro3 n ARG 9 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1ro3 n ASN 10 N -4.53 0.71 -1.20 2.89 0.23 -1.26 -3.39 115.26 108.71 1ro3 n ASN 10 Ca 0.04 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1ro3 n ASN 10 Cb 0.15 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 -1.20 0.00 -0.57 0.00 3.00 -1.26 -5.07 118.16 113.05 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 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 -0.57 -0.43 0.00 5.64 -0.00 -1.26 -4.88 117.46 115.96 1ro3 n PHE 13 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1ro3 n PHE 13 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 39.48 37.39 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 0.09 2.52 0.00 -2.13 -0.00 -1.26 -4.82 117.00 111.39 1ro3 n LEU 14 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1ro3 n LEU 14 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1ro3 n LEU 14 CO 0.00 -0.04 0.00 2.29 -0.00 0.00 0.00 177.39 179.64 1ro3 n LYS 15 N -0.70 0.00 -0.05 1.96 0.00 -1.26 -5.03 118.16 113.07 1ro3 n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ro3 n LYS 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ro3 n GLU 16 N 0.00 0.00 0.00 -1.58 1.02 -1.26 -3.88 120.64 114.94 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 -0.01 0.10 3.47 0.62 0.00 -1.26 -5.09 105.19 103.03 1ro3 n GLY 17 Ca 0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 46.02 45.44 1ro3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ro3 n THR 18 N -0.79 1.10 -4.59 2.61 -2.24 -1.25 -4.67 114.28 104.44 1ro3 n THR 18 Ca 0.00 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1ro3 n THR 18 Cb 0.00 -0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 1ro3 n THR 18 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ro3 s ILE 19 N -0.51 2.49 0.00 2.28 2.07 -0.97 0.23 121.20 126.78 1ro3 s ILE 19 Ca 0.75 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1ro3 s ILE 19 Cb -1.04 -2.03 0.00 0.00 0.13 0.00 0.00 42.46 39.51 1ro3 s ILE 19 CO 0.56 0.53 0.17 0.00 -1.91 0.00 0.00 174.94 174.28 1ro3 s LYS 21 N -0.66 0.18 -0.44 0.00 -2.85 -1.25 -3.76 119.74 110.97 1ro3 s LYS 21 Ca 0.00 0.09 -0.28 0.00 -1.00 0.00 0.00 55.97 54.78 1ro3 s LYS 21 Cb 0.00 -1.28 -0.29 0.00 -2.06 0.00 0.00 37.83 34.19 1ro3 s LYS 21 CO 0.00 -0.70 1.78 -2.13 0.10 0.00 0.00 175.35 174.40 1ro3 n ARG 22 N 5.31 0.37 0.12 1.78 3.00 -1.25 -4.56 116.66 121.44 1ro3 n ARG 22 Ca -0.06 -1.39 -0.11 0.00 -0.00 0.00 0.00 57.85 56.30 1ro3 n ARG 22 Cb 0.49 -2.96 -0.06 0.00 0.00 0.00 0.00 32.46 29.93 1ro3 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ro3 h ALA 23 N 10.00 -0.91 0.00 5.13 0.00 -1.84 0.90 119.26 132.53 1ro3 h ALA 23 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ro3 h ALA 23 Cb 0.77 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ro3 h ALA 23 CO 1.76 -0.96 0.00 0.54 0.00 0.00 0.00 179.25 180.59 1ro3 n ARG 24 N -4.33 0.00 0.00 0.00 1.74 -1.26 -3.50 116.66 109.31 1ro3 n ARG 24 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1ro3 n ARG 24 Cb 0.27 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.71 1ro3 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ro3 n GLY 25 N -0.75 -0.17 2.95 -0.13 0.00 -0.90 -4.85 105.19 101.34 1ro3 n GLY 25 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ro3 n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ro3 s ASP 26 N -3.32 0.31 0.46 1.61 1.47 0.29 -5.03 116.67 112.47 1ro3 s ASP 26 Ca 0.00 0.47 -0.20 0.00 1.18 0.00 0.00 52.55 53.99 1ro3 s ASP 26 Cb 0.00 0.45 -0.13 0.00 -0.34 0.00 0.00 42.92 42.90 1ro3 s ASP 26 CO 0.00 -0.22 0.27 -0.90 0.68 0.00 0.00 175.17 175.00 1ro3 n ASP 27 N 5.01 -2.06 0.00 2.11 5.68 0.08 -3.74 116.55 123.63 1ro3 n ASP 27 Ca -0.11 0.79 0.00 0.00 -0.50 0.00 0.00 54.79 54.97 1ro3 n ASP 27 Cb 0.51 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1ro3 n MET 28 N 0.86 0.00 0.00 0.11 2.81 -1.25 -4.31 117.12 115.35 1ro3 n MET 28 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1ro3 n MET 28 Cb 0.43 -0.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 1ro3 n MET 28 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ro3 n ASP 29 N -1.91 0.00 0.00 7.83 9.92 0.34 -4.86 116.55 127.88 1ro3 n ASP 29 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ro3 n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1ro3 n ASP 29 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ro3 n ASP 30 N 0.00 0.00 -4.78 -2.24 5.68 -0.66 -2.12 116.55 112.42 1ro3 n ASP 30 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.06 1ro3 n ASP 30 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1ro3 n ASP 30 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1ro3 s TYR 31 N 0.00 2.71 1.04 2.11 1.13 0.62 -3.97 117.35 120.99 1ro3 s TYR 31 Ca 0.00 -0.45 -0.14 0.00 -1.41 0.00 0.00 57.07 55.07 1ro3 s TYR 31 Cb 0.00 -1.86 0.22 0.00 -1.10 0.00 0.00 41.96 39.22 1ro3 s TYR 31 CO 0.00 0.17 0.50 0.00 -2.51 0.00 0.00 175.55 173.71 1ro3 n ASN 33 N -2.36 -0.18 -1.18 0.00 6.94 -1.21 -4.37 115.26 112.91 1ro3 n ASN 33 Ca 0.08 -0.38 -0.14 0.00 -0.02 0.00 0.00 54.58 54.13 1ro3 n ASN 33 Cb 0.35 0.06 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 1ro3 n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ro3 n GLY 34 N -0.01 1.31 1.16 4.83 0.00 -1.26 -4.60 105.19 106.61 1ro3 n GLY 34 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ro3 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ro3 n LYS 35 N -1.50 0.00 -4.43 1.61 3.00 -1.26 -4.89 118.16 110.69 1ro3 n LYS 35 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.88 1ro3 n LYS 35 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.51 1ro3 n LYS 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1ro3 n THR 36 N -1.96 0.00 -3.27 3.15 -1.04 -1.26 -3.82 114.28 106.08 1ro3 n THR 36 Ca 0.00 -2.18 -0.22 0.00 -2.04 0.00 0.00 64.05 59.61 1ro3 n THR 36 Cb 0.00 0.44 -0.08 0.00 -1.82 0.00 0.00 70.33 68.87 1ro3 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ASP 38 N 2.99 0.00 0.00 0.00 4.64 -1.22 -3.80 116.55 119.16 1ro3 n ASP 38 Ca 0.26 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.67 1ro3 n ASP 38 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ro3 s PRO 40 N 0.00 3.06 0.00 0.00 0.04 -0.92 -2.18 135.00 135.00 1ro3 s PRO 40 Ca 0.00 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1ro3 s PRO 40 Cb 0.00 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1ro3 s PRO 40 CO 0.00 -2.72 0.00 -2.13 0.04 0.00 0.00 177.00 172.19 1ro3 n ARG 41 N 8.94 0.00 -2.72 4.56 0.63 -0.10 -1.14 116.66 126.83 1ro3 n ARG 41 Ca 0.32 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.17 1ro3 n ARG 41 Cb 0.49 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.50 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 0.00 -1.98 -2.31 6.15 2.04 -1.26 0.35 115.26 118.25 1ro3 n ASN 42 Ca 0.00 -3.08 -0.12 0.00 -0.44 0.00 0.00 54.58 50.94 1ro3 n ASN 42 Cb 0.00 1.39 -0.11 0.00 -2.53 0.00 0.00 39.78 38.53 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 -0.10 1.70 0.00 -0.53 -0.04 -1.26 0.20 135.00 134.97 1ro3 n PRO 43 Ca 0.02 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1ro3 n PRO 43 Cb 0.77 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.84 0.00 0.00 0.54 8.25 -1.26 -4.92 115.22 120.67 1ro3 n HIS 44 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1ro3 n HIS 44 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.02 -0.41 4.76 -1.26 -4.06 118.16 117.18 1ro3 n LYS 45 Ca 0.00 0.13 0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1ro3 n LYS 45 Cb 0.00 -0.59 0.01 0.00 -1.84 0.00 0.00 35.03 32.61 1ro3 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ro3 n GLY 46 N -0.26 1.87 2.76 0.72 0.00 -1.26 -4.94 105.19 104.07 1ro3 n GLY 46 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.26 -1.78 0.00 1.61 -0.04 -1.16 -5.05 135.00 128.32 1ro3 n PRO 47 Ca 0.01 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1ro3 n PRO 47 Cb 0.21 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.02 0.00 -1.61 0.55 0.00 0.53 -4.03 120.51 111.94 1ro3 n ALA 48 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ro3 n ALA 48 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91