#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 -5.50 0.01 0.00 0.00 -0.58 -1.26 -5.01 120.64 108.29 1ro3 n GLU 3 Ca 0.23 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1ro3 n GLU 3 Cb 0.74 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.61 1ro3 n GLU 3 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ro3 n SER 4 N -0.41 0.00 -4.09 1.62 2.88 -1.26 -5.00 113.62 107.36 1ro3 n SER 4 Ca -0.26 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 56.71 1ro3 n SER 4 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.00 0.02 3.78 0.46 0.00 -1.26 -3.35 105.19 104.85 1ro3 n GLY 5 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 46.02 46.54 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 1.70 1.02 -0.15 1.61 0.04 -1.17 -4.01 135.00 134.03 1ro3 s PRO 6 Ca 0.88 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1ro3 s PRO 6 Cb -1.25 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ro3 s PRO 6 CO 0.64 -2.27 0.13 0.00 0.04 0.00 0.00 177.00 175.54 1ro3 n ARG 9 N -1.62 0.00 -0.70 0.00 0.00 -1.22 0.36 116.66 113.48 1ro3 n ARG 9 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1ro3 n ARG 9 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.41 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 1.94 -0.33 -1.00 6.15 2.04 -1.26 -4.08 115.26 118.72 1ro3 n ASN 10 Ca 0.00 -1.42 0.00 0.00 -0.44 0.00 0.00 54.58 52.72 1ro3 n ASN 10 Cb 0.00 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 1ro3 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ro3 n LYS 12 N -0.78 0.00 -0.32 0.00 5.02 -1.07 -5.01 118.16 116.00 1ro3 n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ro3 n LYS 12 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1ro3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ro3 n PHE 13 N 0.00 0.00 -0.06 2.13 -0.00 1.14 -4.87 117.46 115.81 1ro3 n PHE 13 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1ro3 n PHE 13 Cb 0.00 -1.72 -0.01 0.00 -0.00 0.00 0.00 39.48 37.76 1ro3 n PHE 13 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1ro3 h LEU 14 N 0.00 0.00 0.00 -2.13 7.12 -1.86 -3.47 115.31 114.97 1ro3 h LEU 14 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ro3 h LEU 14 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ro3 h LEU 14 CO 0.00 0.58 0.00 1.17 -0.13 0.00 0.00 178.44 180.06 1ro3 n LYS 15 N -4.46 0.00 -0.12 1.25 4.81 -1.26 -5.03 118.16 113.34 1ro3 n LYS 15 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.40 1ro3 n LYS 15 Cb 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.17 1ro3 n LYS 15 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ro3 n GLU 16 N 0.00 0.00 0.00 1.64 1.02 -1.26 -3.79 120.64 118.25 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 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.51 -0.95 2.35 0.62 0.00 -1.26 -5.09 105.19 101.36 1ro3 n GLY 17 Ca 0.03 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1ro3 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ro3 n THR 18 N 0.00 0.54 -1.08 2.61 -1.04 -1.25 -4.75 114.28 109.31 1ro3 n THR 18 Ca 0.00 -4.73 -0.34 0.00 -2.04 0.00 0.00 64.05 56.94 1ro3 n THR 18 Cb 0.00 -0.88 0.01 0.00 -1.82 0.00 0.00 70.33 67.64 1ro3 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ro3 n ILE 19 N 0.40 0.00 0.00 12.58 0.00 -1.05 0.29 119.36 131.57 1ro3 n ILE 19 Ca 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 62.75 62.57 1ro3 n ILE 19 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.21 1ro3 n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ro3 s LYS 21 N -1.79 1.40 -0.81 0.00 -0.14 -1.26 -4.28 119.74 112.86 1ro3 s LYS 21 Ca 0.00 -1.56 -0.23 0.00 -1.36 0.00 0.00 55.97 52.82 1ro3 s LYS 21 Cb 0.00 -1.39 0.07 0.00 -1.68 0.00 0.00 37.83 34.83 1ro3 s LYS 21 CO 0.00 0.26 1.17 0.50 -0.76 0.00 0.00 175.35 176.52 1ro3 s ARG 22 N -3.25 3.33 -0.14 1.68 6.06 -1.26 -4.61 118.95 120.77 1ro3 s ARG 22 Ca 0.22 -0.95 -0.08 0.00 -2.50 0.00 0.00 55.73 52.41 1ro3 s ARG 22 Cb -0.04 -4.59 -0.03 0.00 0.06 0.00 0.00 34.95 30.35 1ro3 s ARG 22 CO 0.09 -1.97 -0.15 0.00 -2.50 0.00 0.00 175.30 170.77 1ro3 h ALA 23 N 9.57 0.00 -0.04 6.12 0.00 -1.87 -3.41 119.26 129.64 1ro3 h ALA 23 Ca -0.09 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1ro3 h ALA 23 Cb 1.04 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1ro3 h ALA 23 CO 1.24 0.45 -0.35 0.00 0.00 0.00 0.00 179.25 180.59 1ro3 h ARG 24 N -1.00 -0.40 0.00 0.00 3.08 -1.87 -3.37 114.38 110.82 1ro3 h ARG 24 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ro3 h ARG 24 Cb 0.46 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1ro3 h ARG 24 CO -0.00 -0.27 0.00 0.41 -1.07 0.00 0.00 179.97 179.04 1ro3 n GLY 25 N -1.29 -0.16 3.09 0.04 0.00 -1.26 -4.81 105.19 100.80 1ro3 n GLY 25 Ca -0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1ro3 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ro3 s ASP 26 N -1.61 2.98 0.38 1.61 -1.08 -1.26 -4.95 116.67 112.75 1ro3 s ASP 26 Ca 0.00 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.47 1ro3 s ASP 26 Cb 0.00 -1.38 0.06 0.00 -1.46 0.00 0.00 42.92 40.14 1ro3 s ASP 26 CO 0.00 -0.01 0.45 -0.67 0.52 0.00 0.00 175.17 175.46 1ro3 n ASP 27 N 4.62 0.98 0.00 -0.34 2.03 -1.26 -4.81 116.55 117.76 1ro3 n ASP 27 Ca -0.20 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1ro3 n ASP 27 Cb 0.50 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1ro3 n ASP 27 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1ro3 n MET 28 N -1.75 0.00 0.00 -0.67 2.81 -1.26 -4.92 117.12 111.33 1ro3 n MET 28 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1ro3 n MET 28 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 -2.05 0.00 -3.15 7.83 8.00 0.21 -4.83 116.55 122.56 1ro3 n ASP 29 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1ro3 n ASP 29 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1ro3 n ASP 29 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ro3 s ASP 30 N 2.00 -0.68 0.21 -2.24 1.47 0.83 -3.19 116.67 115.08 1ro3 s ASP 30 Ca 0.00 0.24 0.01 0.00 1.18 0.00 0.00 52.55 53.98 1ro3 s ASP 30 Cb 0.00 1.49 0.01 0.00 -0.34 0.00 0.00 42.92 44.08 1ro3 s ASP 30 CO 0.00 -0.12 0.09 0.00 0.68 0.00 0.00 175.17 175.81 1ro3 n TYR 31 N 5.33 -0.39 0.00 2.11 4.11 0.66 -3.84 117.16 125.13 1ro3 n TYR 31 Ca 0.01 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 56.94 1ro3 n TYR 31 Cb 0.55 -0.16 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1ro3 n TYR 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ro3 n ASN 33 N 0.00 0.00 0.00 0.00 6.94 -1.17 -4.11 115.26 116.92 1ro3 n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ro3 n ASN 33 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.00 0.25 0.22 4.83 0.00 -1.26 -4.61 105.19 104.62 1ro3 n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.73 0.00 -4.56 1.61 3.00 -1.26 -4.84 118.16 110.38 1ro3 n LYS 35 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1ro3 n LYS 35 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.00 1ro3 n LYS 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ro3 s THR 36 N -0.17 1.67 -0.39 3.15 2.01 -1.23 -3.07 115.64 117.60 1ro3 s THR 36 Ca 0.00 -1.92 0.02 0.00 0.31 0.00 0.00 61.69 60.10 1ro3 s THR 36 Cb 0.00 -2.59 0.16 0.00 0.01 0.00 0.00 72.50 70.08 1ro3 s THR 36 CO 0.00 0.00 0.29 0.00 -0.69 0.00 0.00 174.62 174.22 1ro3 n ASP 38 N 3.36 0.00 0.00 0.00 -0.08 -1.23 0.59 116.55 119.18 1ro3 n ASP 38 Ca 0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1ro3 n ASP 38 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1ro3 n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ro3 s PRO 40 N -0.04 3.17 0.00 0.00 0.04 -1.02 -0.13 135.00 137.02 1ro3 s PRO 40 Ca 0.00 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 59.84 1ro3 s PRO 40 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1ro3 s PRO 40 CO 0.00 -2.97 0.00 -2.13 0.04 0.00 0.00 177.00 171.94 1ro3 n ARG 41 N 8.58 0.00 -1.93 4.56 0.63 -1.22 -3.84 116.66 123.44 1ro3 n ARG 41 Ca 0.42 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 57.04 1ro3 n ARG 41 Cb 0.47 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.42 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 6.25 -2.06 6.15 2.04 -1.23 -2.54 115.26 123.87 1ro3 n ASN 42 Ca 0.00 -3.78 -0.08 0.00 -0.44 0.00 0.00 54.58 50.29 1ro3 n ASN 42 Cb 0.00 -0.72 -0.11 0.00 -2.53 0.00 0.00 39.78 36.42 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 -0.67 1.40 0.00 -0.53 -0.04 -1.18 -0.01 135.00 133.97 1ro3 n PRO 43 Ca 0.50 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ro3 n PRO 43 Cb 0.63 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.50 0.00 -0.03 0.54 8.25 -1.24 -4.83 115.22 120.41 1ro3 n HIS 44 Ca 0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.73 1ro3 n HIS 44 Cb 0.65 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.03 0.00 -0.41 4.76 -1.26 -3.69 118.16 117.53 1ro3 n LYS 45 Ca 0.00 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1ro3 n LYS 45 Cb 0.00 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 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 -1.02 0.77 1.95 0.72 0.00 -1.26 -4.93 105.19 101.42 1ro3 n GLY 46 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.40 0.00 1.61 -0.04 -0.91 -4.97 135.00 129.29 1ro3 n PRO 47 Ca 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1ro3 n PRO 47 Cb 0.30 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -3.72 0.00 -0.12 0.55 0.00 0.99 -3.12 120.51 115.09 1ro3 n ALA 48 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ro3 n ALA 48 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1ro3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91