#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy2 s ALA 3 N 0.00 3.55 0.19 1.55 0.00 -1.26 -4.98 121.76 120.81 1jy2 s ALA 3 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1jy2 s ALA 3 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1jy2 s ALA 3 CO 0.00 -0.60 0.05 0.95 0.00 0.00 0.00 175.76 176.17 1jy2 s THR 4 N -0.06 0.45 0.40 0.00 -4.23 -1.26 -5.00 115.64 105.94 1jy2 s THR 4 Ca 0.56 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 1jy2 s THR 4 Cb -0.38 -2.27 0.31 0.00 1.34 0.00 0.00 72.50 71.49 1jy2 s THR 4 CO 0.41 -0.30 1.97 0.03 -0.54 0.00 0.00 174.62 176.19 1jy2 h ARG 5 N 2.64 0.55 0.07 3.99 2.47 -1.95 -1.23 114.38 120.92 1jy2 h ARG 5 Ca -0.37 -0.03 -0.25 0.00 -1.26 0.00 0.00 59.98 58.07 1jy2 h ARG 5 Cb 1.22 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1jy2 h ARG 5 CO 0.60 0.36 -1.09 -0.44 0.56 0.00 0.00 179.97 179.97 1jy2 h ASP 6 N 0.57 0.47 -0.21 7.04 3.45 -2.00 -3.35 116.42 122.40 1jy2 h ASP 6 Ca 0.29 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.31 1jy2 h ASP 6 Cb 0.40 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1jy2 h ASP 6 CO -0.09 1.28 0.00 -0.46 -1.57 0.00 0.00 179.24 178.40 1jy2 n ASN 7 N -3.64 3.05 -3.39 6.45 0.23 -1.09 -4.82 115.26 112.05 1jy2 n ASN 7 Ca -0.08 -1.92 -0.17 0.00 -0.53 0.00 0.00 54.58 51.89 1jy2 n ASN 7 Cb 0.93 -0.13 -0.09 0.00 -2.08 0.00 0.00 39.78 38.41 1jy2 n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jy2 n ILE 10 N -2.53 0.07 -1.67 0.00 -5.35 -1.26 -5.00 119.36 103.62 1jy2 n ILE 10 Ca 0.02 -0.54 -0.55 0.00 -0.27 0.00 0.00 62.75 61.41 1jy2 n ILE 10 Cb 0.25 1.40 -0.07 0.00 -1.74 0.00 0.00 39.64 39.49 1jy2 n ILE 10 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1jy2 n LEU 11 N 1.31 2.24 -3.67 7.28 7.94 -0.92 -4.95 117.00 126.22 1jy2 n LEU 11 Ca 0.14 1.08 -0.28 0.00 -1.11 0.00 0.00 56.01 55.85 1jy2 n LEU 11 Cb 0.57 -1.18 -0.16 0.00 0.53 0.00 0.00 43.42 43.18 1jy2 n LEU 11 CO 0.14 -0.60 -0.35 -0.62 -1.11 0.00 0.00 177.39 174.86 1jy2 s ASP 12 N 2.54 3.06 0.24 1.96 3.68 -1.26 -5.01 116.67 121.88 1jy2 s ASP 12 Ca 0.93 -0.98 0.20 0.00 2.13 0.00 0.00 52.55 54.83 1jy2 s ASP 12 Cb -1.00 -0.51 0.95 0.00 -1.45 0.00 0.00 42.92 40.90 1jy2 s ASP 12 CO 0.58 -0.36 1.61 -0.62 0.13 0.00 0.00 175.17 176.51 1jy2 n GLU 13 N 5.11 0.14 0.11 4.34 4.71 -1.26 -1.61 120.64 132.18 1jy2 n GLU 13 Ca -0.07 0.51 0.11 0.00 -0.01 0.00 0.00 57.16 57.70 1jy2 n GLU 13 Cb 0.46 -1.85 0.46 0.00 -1.01 0.00 0.00 31.44 29.50 1jy2 n GLU 13 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1jy2 n ARG 14 N -2.12 0.15 -0.26 3.49 1.74 -1.26 -2.33 116.66 116.07 1jy2 n ARG 14 Ca 0.00 0.44 0.11 0.00 -0.77 0.00 0.00 57.85 57.64 1jy2 n ARG 14 Cb 0.12 -1.82 0.27 0.00 -1.02 0.00 0.00 32.46 30.01 1jy2 n ARG 14 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jy2 n PHE 15 N -2.11 0.68 -2.13 -1.55 3.01 -0.63 -5.07 117.46 109.65 1jy2 n PHE 15 Ca 0.02 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1jy2 n PHE 15 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1jy2 n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jy2 n GLY 16 N 1.51 -2.20 3.78 1.37 0.00 -0.99 -4.93 105.19 103.74 1jy2 n GLY 16 Ca 0.21 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1jy2 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jy2 s SER 17 N -3.40 6.16 0.12 1.61 0.01 -1.26 -4.84 113.70 112.10 1jy2 s SER 17 Ca 0.00 2.10 -0.01 0.00 1.31 0.00 0.00 55.95 59.36 1jy2 s SER 17 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1jy2 s SER 17 CO 0.00 -0.92 0.29 -0.31 0.41 0.00 0.00 173.24 172.72 1jy2 s TYR 18 N -1.78 3.50 0.12 2.43 1.51 -1.26 -5.12 117.35 116.75 1jy2 s TYR 18 Ca 0.67 0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 56.98 1jy2 s TYR 18 Cb -0.22 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1jy2 s TYR 18 CO 0.26 0.50 0.14 0.00 -1.11 0.00 0.00 175.55 175.35 1jy2 s PRO 20 N -3.96 1.15 0.53 0.00 0.02 -1.26 -5.02 135.00 126.47 1jy2 s PRO 20 Ca 0.15 1.19 -0.02 0.00 0.02 0.00 0.00 61.00 62.34 1jy2 s PRO 20 Cb 0.06 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.82 1jy2 s PRO 20 CO -0.04 -2.42 0.79 0.95 -0.33 0.00 0.00 177.00 175.95 1jy2 s THR 21 N -2.76 3.46 -0.39 0.99 -4.23 -1.26 -4.95 115.64 106.50 1jy2 s THR 21 Ca 0.65 -0.37 0.25 0.00 -1.18 0.00 0.00 61.69 61.03 1jy2 s THR 21 Cb -0.20 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.57 1jy2 s THR 21 CO 0.58 -0.27 1.74 0.71 -0.54 0.00 0.00 174.62 176.84 1jy2 h THR 22 N 0.08 0.00 -0.31 3.99 1.35 -1.99 -1.00 112.91 115.04 1jy2 h THR 22 Ca -0.45 -0.24 -0.18 0.00 -0.55 0.00 0.00 66.41 64.99 1jy2 h THR 22 Cb 1.27 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1jy2 h THR 22 CO 0.57 0.00 -0.52 0.00 -0.25 0.00 0.00 175.52 175.33 1jy2 h GLY 24 N 0.72 1.30 0.91 0.00 0.00 -1.60 0.96 103.07 105.35 1jy2 h GLY 24 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1jy2 h GLY 24 CO 0.12 0.57 0.10 -2.22 0.00 0.00 0.00 176.54 175.11 1jy2 h ILE 25 N 1.21 1.16 -0.71 2.60 1.08 -1.20 -1.42 117.51 120.23 1jy2 h ILE 25 Ca 0.30 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1jy2 h ILE 25 Cb 0.05 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1jy2 h ILE 25 CO -0.05 0.16 0.18 0.00 -0.69 0.00 0.00 178.15 177.76 1jy2 h ALA 26 N 0.95 0.98 -0.50 1.87 0.00 -0.56 0.15 119.26 122.16 1jy2 h ALA 26 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1jy2 h ALA 26 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jy2 h ALA 26 CO -0.01 0.66 -0.13 -0.44 0.00 0.00 0.00 179.25 179.34 1jy2 h ASP 27 N 1.07 0.97 -0.16 0.00 3.32 -0.75 -0.45 116.42 120.43 1jy2 h ASP 27 Ca 0.22 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1jy2 h ASP 27 Cb 0.35 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1jy2 h ASP 27 CO -0.00 1.11 0.09 0.15 -1.72 0.00 0.00 179.24 178.87 1jy2 h PHE 28 N 0.82 0.21 -0.96 4.55 3.57 -0.98 -2.21 116.94 121.93 1jy2 h PHE 28 Ca 0.13 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1jy2 h PHE 28 Cb 0.69 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1jy2 h PHE 28 CO 0.05 0.20 0.62 1.25 -2.23 0.00 0.00 178.31 178.21 1jy2 h LEU 29 N 0.16 1.02 -0.33 0.59 5.85 -0.77 -0.31 115.31 121.51 1jy2 h LEU 29 Ca 0.06 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1jy2 h LEU 29 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1jy2 h LEU 29 CO -0.01 0.68 0.08 -1.13 -0.34 0.00 0.00 178.44 177.72 1jy2 h ASN 30 N 1.18 0.51 -0.45 1.25 -0.73 -0.89 0.25 115.58 116.71 1jy2 h ASN 30 Ca 0.40 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1jy2 h ASN 30 Cb 0.07 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1jy2 h ASN 30 CO -0.14 0.62 0.16 -1.13 -0.37 0.00 0.00 177.43 176.57 1jy2 h ASN 31 N 0.39 0.64 -0.21 1.15 -1.24 -1.02 -0.90 115.58 114.38 1jy2 h ASN 31 Ca 0.10 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.89 1jy2 h ASN 31 Cb 0.31 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1jy2 h ASN 31 CO 0.00 0.65 -0.03 0.22 -1.29 0.00 0.00 177.43 176.98 1jy2 h TYR 32 N 0.59 0.44 -0.58 0.67 3.20 -0.89 -1.91 116.97 118.48 1jy2 h TYR 32 Ca 0.15 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1jy2 h TYR 32 Cb 0.23 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1jy2 h TYR 32 CO 0.01 0.62 0.07 0.37 -1.64 0.00 0.00 178.16 177.58 1jy2 h GLN 33 N 0.13 0.95 -0.33 1.82 -0.00 -0.39 -0.30 115.11 116.99 1jy2 h GLN 33 Ca 0.06 -0.25 -0.11 0.00 -0.00 0.00 0.00 58.65 58.35 1jy2 h GLN 33 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1jy2 h GLN 33 CO 0.02 0.90 -0.22 1.15 0.00 0.00 0.00 178.83 180.68 1jy2 h THR 34 N 0.89 1.29 0.57 2.39 2.02 -1.14 -1.26 112.91 117.68 1jy2 h THR 34 Ca 0.18 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1jy2 h THR 34 Cb 0.43 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1jy2 h THR 34 CO 0.01 0.44 -0.28 -1.28 0.37 0.00 0.00 175.52 174.79 1jy2 h SER 35 N 0.49 -0.65 -0.77 4.18 0.87 -1.15 -2.20 113.55 114.33 1jy2 h SER 35 Ca 0.07 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1jy2 h SER 35 Cb 0.77 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1jy2 h SER 35 CO 0.06 -0.37 0.31 0.58 -0.53 0.00 0.00 176.83 176.88 1jy2 h VAL 36 N -0.92 1.26 -0.37 2.23 2.07 -1.12 -2.32 116.25 117.08 1jy2 h VAL 36 Ca -0.08 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1jy2 h VAL 36 Cb 0.64 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jy2 h VAL 36 CO 0.13 0.33 0.16 -0.78 0.02 0.00 0.00 177.57 177.43 1jy2 h ASP 37 N 1.12 0.46 0.05 0.57 3.58 -1.20 -0.03 116.42 120.97 1jy2 h ASP 37 Ca 0.26 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1jy2 h ASP 37 Cb 0.21 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1jy2 h ASP 37 CO -0.02 0.41 -0.02 0.50 -2.88 0.00 0.00 179.24 177.23 1jy2 h LYS 38 N 0.51 -0.06 -0.70 0.28 3.64 -0.92 -0.25 116.57 119.08 1jy2 h LYS 38 Ca 0.13 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1jy2 h LYS 38 Cb 0.09 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1jy2 h LYS 38 CO -0.02 0.23 0.40 -0.44 -2.27 0.00 0.00 179.45 177.36 1jy2 h ASP 39 N -0.35 0.62 0.13 4.20 3.32 -0.96 -1.88 116.42 121.51 1jy2 h ASP 39 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1jy2 h ASP 39 Cb 0.32 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1jy2 h ASP 39 CO 0.01 0.40 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.80 1jy2 h LEU 40 N 0.75 -0.15 -1.38 1.55 3.38 -0.87 -2.67 115.31 115.93 1jy2 h LEU 40 Ca 0.31 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.26 1jy2 h LEU 40 Cb 0.16 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1jy2 h LEU 40 CO -0.17 0.11 0.58 0.03 0.09 0.00 0.00 178.44 179.08 1jy2 h ARG 41 N -0.41 0.54 -0.72 1.13 3.08 -0.84 0.16 114.38 117.32 1jy2 h ARG 41 Ca -0.02 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1jy2 h ARG 41 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1jy2 h ARG 41 CO 0.03 0.36 0.19 1.15 -1.07 0.00 0.00 179.97 180.62 1jy2 h THR 42 N 0.56 1.26 -0.03 2.04 2.02 -1.17 -0.63 112.91 116.95 1jy2 h THR 42 Ca 0.46 -0.97 -0.21 0.00 0.77 0.00 0.00 66.41 66.46 1jy2 h THR 42 Cb 0.94 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1jy2 h THR 42 CO -0.21 0.37 -0.87 -0.07 0.37 0.00 0.00 175.52 175.12 1jy2 h LEU 43 N 1.09 0.55 -1.28 2.58 3.38 -0.68 -2.96 115.31 117.99 1jy2 h LEU 43 Ca 0.23 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1jy2 h LEU 43 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1jy2 h LEU 43 CO 0.00 1.19 -0.23 -0.33 0.09 0.00 0.00 178.44 179.17 1jy2 h GLU 44 N 0.27 0.00 0.02 1.13 5.08 -0.56 -0.50 114.58 120.02 1jy2 h GLU 44 Ca -0.06 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1jy2 h GLU 44 Cb 1.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1jy2 h GLU 44 CO 0.15 0.23 -1.06 0.78 -1.00 0.00 0.00 179.01 178.11 1jy2 h GLY 45 N 1.76 0.06 0.40 -3.84 0.00 -1.06 0.44 103.07 100.82 1jy2 h GLY 45 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1jy2 h GLY 45 CO 0.03 0.13 -0.34 -2.22 0.00 0.00 0.00 176.54 174.14 1jy2 h ILE 46 N 0.01 1.60 0.00 2.60 2.04 -1.31 -3.36 117.51 119.09 1jy2 h ILE 46 Ca -0.04 -2.21 -0.17 0.00 1.00 0.00 0.00 64.86 63.44 1jy2 h ILE 46 Cb 1.81 3.05 -0.03 0.00 -0.74 0.00 0.00 36.82 40.92 1jy2 h ILE 46 CO 0.14 0.60 -0.89 -0.07 0.00 0.00 0.00 178.15 177.94 1jy2 h LEU 47 N -0.59 0.00 -1.52 1.44 -0.00 -1.20 -3.52 115.31 109.92 1jy2 h LEU 47 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1jy2 h LEU 47 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1jy2 h LEU 47 CO 0.06 0.76 0.00 -1.22 -0.00 0.00 0.00 178.44 178.04