#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz4 n PRO 2 N 0.00 0.00 -0.00 -3.48 -0.04 -1.26 -4.93 135.00 125.29 1tz4 n PRO 2 Ca 0.00 0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.86 1tz4 n PRO 2 Cb 0.00 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1tz4 n PRO 2 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tz4 n SER 3 N -1.75 0.57 -2.88 3.54 3.41 -1.26 -5.11 113.62 110.13 1tz4 n SER 3 Ca 0.00 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1tz4 n SER 3 Cb 0.00 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 1tz4 n SER 3 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1tz4 n LYS 4 N -3.04 -2.42 0.06 4.33 4.76 -1.26 -5.00 118.16 115.59 1tz4 n LYS 4 Ca -0.02 2.13 -0.12 0.00 -2.87 0.00 0.00 58.31 57.42 1tz4 n LYS 4 Cb 0.08 -5.46 -0.08 0.00 -1.84 0.00 0.00 35.03 27.73 1tz4 n LYS 4 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1tz4 h PRO 5 N 2.07 -0.20 0.00 1.97 0.13 -2.05 -3.48 132.00 130.44 1tz4 h PRO 5 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1tz4 h PRO 5 Cb 0.97 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1tz4 h PRO 5 CO 0.20 0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1tz4 n ASP 6 N -4.96 0.00 -3.15 1.44 8.00 -1.26 -5.12 116.55 111.50 1tz4 n ASP 6 Ca -0.08 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.46 1tz4 n ASP 6 Cb 0.26 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1tz4 n ASP 6 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1tz4 s ASN 7 N 2.00 -1.48 -0.67 -2.24 3.84 -1.26 -5.13 114.94 110.00 1tz4 s ASN 7 Ca 0.00 0.32 -0.27 0.00 0.21 0.00 0.00 52.86 53.11 1tz4 s ASN 7 Cb 0.00 2.00 0.02 0.00 -0.55 0.00 0.00 41.25 42.72 1tz4 s ASN 7 CO 0.00 -0.27 1.31 -2.16 -2.79 0.00 0.00 177.10 173.19 1tz4 s PRO 8 N 2.85 3.25 0.00 0.43 0.04 -1.26 -4.81 135.00 135.50 1tz4 s PRO 8 Ca 0.13 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1tz4 s PRO 8 Cb -0.10 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1tz4 s PRO 8 CO -0.24 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1tz4 n GLY 9 N 5.30 -2.04 0.00 0.56 0.00 -1.26 -5.03 105.19 102.73 1tz4 n GLY 9 Ca 0.07 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1tz4 n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tz4 n GLU 10 N 0.00 0.00 -3.47 1.61 1.02 -1.26 -5.07 120.64 113.48 1tz4 n GLU 10 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1tz4 n GLU 10 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1tz4 n GLU 10 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tz4 s ASP 11 N 0.00 2.37 0.28 1.62 1.01 -1.26 -5.12 116.67 115.56 1tz4 s ASP 11 Ca 0.00 -2.70 -0.15 0.00 0.71 0.00 0.00 52.55 50.42 1tz4 s ASP 11 Cb 0.00 -0.51 0.01 0.00 1.01 0.00 0.00 42.92 43.43 1tz4 s ASP 11 CO 0.00 -0.23 0.58 0.00 0.21 0.00 0.00 175.17 175.73 1tz4 s ALA 12 N 0.44 -0.51 1.23 5.23 0.00 -1.26 -5.11 121.76 121.77 1tz4 s ALA 12 Ca 0.25 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1tz4 s ALA 12 Cb -0.10 0.97 0.30 0.00 0.00 0.00 0.00 23.12 24.29 1tz4 s ALA 12 CO -0.09 -0.92 1.12 -0.35 0.00 0.00 0.00 175.76 175.51 1tz4 n PRO 13 N -0.43 -3.00 -1.93 0.00 -0.04 -1.26 -4.72 135.00 123.62 1tz4 n PRO 13 Ca -0.03 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1tz4 n PRO 13 Cb 0.61 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1tz4 n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tz4 n ALA 14 N -4.79 0.00 0.12 0.55 0.00 -1.26 -5.02 120.51 110.10 1tz4 n ALA 14 Ca -0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.25 1tz4 n ALA 14 Cb 0.59 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.60 1tz4 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tz4 n GLU 15 N -0.75 0.46 0.14 0.00 1.02 -1.26 -4.74 120.64 115.51 1tz4 n GLU 15 Ca 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.58 1tz4 n GLU 15 Cb 0.45 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1tz4 n GLU 15 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tz4 n ASP 16 N -0.03 -2.56 -0.02 1.62 8.00 -1.26 -4.95 116.55 117.35 1tz4 n ASP 16 Ca 0.01 0.60 0.23 0.00 0.71 0.00 0.00 54.79 56.35 1tz4 n ASP 16 Cb 0.06 2.55 0.72 0.00 -0.02 0.00 0.00 41.12 44.43 1tz4 n ASP 16 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1tz4 h LEU 17 N 0.00 0.00 0.20 0.64 -0.00 -1.98 0.48 115.31 114.65 1tz4 h LEU 17 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1tz4 h LEU 17 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1tz4 h LEU 17 CO 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 178.44 178.34 1tz4 h ALA 18 N 1.48 -0.27 0.00 0.17 0.00 -1.92 -0.94 119.26 117.77 1tz4 h ALA 18 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1tz4 h ALA 18 Cb 1.38 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1tz4 h ALA 18 CO -0.00 -0.62 -0.55 0.37 0.00 0.00 0.00 179.25 178.44 1tz4 h GLN 19 N -0.33 0.00 -0.17 0.00 4.15 -1.34 -3.06 115.11 114.37 1tz4 h GLN 19 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1tz4 h GLN 19 Cb 0.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1tz4 h GLN 19 CO 0.05 0.55 0.10 1.88 -1.93 0.00 0.00 178.83 179.48 1tz4 h TYR 20 N 0.00 0.22 -0.18 3.99 -1.99 -0.85 0.31 116.97 118.46 1tz4 h TYR 20 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1tz4 h TYR 20 Cb 1.07 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1tz4 h TYR 20 CO 0.00 0.18 0.12 0.00 -0.00 0.00 0.00 178.16 178.45 1tz4 h ALA 21 N 1.02 1.86 -0.01 3.88 0.00 -1.21 -1.49 119.26 123.32 1tz4 h ALA 21 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1tz4 h ALA 21 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1tz4 h ALA 21 CO -0.01 0.13 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 1tz4 h ALA 22 N 1.88 0.03 -0.30 0.00 0.00 -1.14 -0.86 119.26 118.86 1tz4 h ALA 22 Ca 0.07 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1tz4 h ALA 22 Cb -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1tz4 h ALA 22 CO -0.01 0.04 0.00 0.22 0.00 0.00 0.00 179.25 179.50 1tz4 h ASP 23 N -0.54 -0.11 -0.67 0.00 1.82 -0.35 0.28 116.42 116.85 1tz4 h ASP 23 Ca -0.02 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1tz4 h ASP 23 Cb 0.95 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1tz4 h ASP 23 CO 0.04 -0.02 0.28 -0.07 -1.61 0.00 0.00 179.24 177.86 1tz4 h LEU 24 N 0.09 0.92 -1.24 2.28 3.38 -1.34 0.13 115.31 119.53 1tz4 h LEU 24 Ca 0.14 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1tz4 h LEU 24 Cb 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1tz4 h LEU 24 CO -0.24 0.83 0.53 0.03 0.09 0.00 0.00 178.44 179.67 1tz4 h ARG 25 N 0.95 0.98 0.20 1.13 2.47 -0.50 -0.36 114.38 119.24 1tz4 h ARG 25 Ca 0.23 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1tz4 h ARG 25 Cb 0.19 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1tz4 h ARG 25 CO -0.02 0.65 -0.10 1.25 0.56 0.00 0.00 179.97 182.31 1tz4 h HIS 26 N 1.00 -0.25 -0.32 3.04 2.76 0.13 -2.41 115.15 119.10 1tz4 h HIS 26 Ca 0.31 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.55 1tz4 h HIS 26 Cb 0.00 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 1tz4 h HIS 26 CO -0.00 0.16 -0.15 -0.92 -1.30 0.00 0.00 177.93 175.72 1tz4 h TYR 27 N -0.79 -0.35 -0.56 5.26 3.20 -0.67 0.70 116.97 123.76 1tz4 h TYR 27 Ca -0.03 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1tz4 h TYR 27 Cb 0.51 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1tz4 h TYR 27 CO 0.06 -0.22 0.29 0.97 -1.64 0.00 0.00 178.16 177.63 1tz4 h ILE 28 N -0.09 0.96 0.00 1.81 2.10 -1.14 0.17 117.51 121.32 1tz4 h ILE 28 Ca 0.17 -0.19 -0.04 0.00 1.08 0.00 0.00 64.86 65.87 1tz4 h ILE 28 Cb 0.34 0.35 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1tz4 h ILE 28 CO -0.38 0.10 -0.20 0.78 -1.08 0.00 0.00 178.15 177.37 1tz4 h ASN 29 N 0.56 0.00 0.09 2.19 2.35 -0.83 0.22 115.58 120.17 1tz4 h ASN 29 Ca 0.25 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1tz4 h ASN 29 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1tz4 h ASN 29 CO -0.16 0.20 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.70 1tz4 h LEU 30 N 0.00 -0.11 0.00 1.61 3.38 0.16 -3.13 115.31 117.23 1tz4 h LEU 30 Ca -0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1tz4 h LEU 30 Cb 0.40 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1tz4 h LEU 30 CO 0.03 0.51 -0.02 0.40 0.09 0.00 0.00 178.44 179.45 1tz4 h ILE 31 N -0.81 0.95 -0.43 1.22 5.03 -0.56 -2.50 117.51 120.41 1tz4 h ILE 31 Ca -0.01 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.85 1tz4 h ILE 31 Cb 0.58 0.95 -0.02 0.00 -3.03 0.00 0.00 36.82 35.31 1tz4 h ILE 31 CO 0.02 0.00 0.39 0.00 -0.68 0.00 0.00 178.15 177.89 1tz4 h THR 32 N -0.03 0.51 0.00 -0.27 1.03 -0.69 0.33 112.91 113.78 1tz4 h THR 32 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1tz4 h THR 32 Cb 0.04 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1tz4 h THR 32 CO -0.02 0.00 0.00 -1.14 -0.01 0.00 0.00 175.52 174.35 1tz4 n ARG 33 N -3.95 0.89 0.00 0.00 0.63 -0.94 -4.24 116.66 109.05 1tz4 n ARG 33 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1tz4 n ARG 33 Cb 0.58 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.23 1tz4 n ARG 33 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1tz4 n GLN 34 N -0.76 0.00 -0.76 -0.14 1.13 0.67 -5.08 117.38 112.43 1tz4 n GLN 34 Ca 0.11 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.85 1tz4 n GLN 34 Cb 0.05 -0.34 0.14 0.00 0.11 0.00 0.00 30.24 30.20 1tz4 n GLN 34 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1tz4 n ARG 35 N -1.74 -0.41 -0.20 -1.09 1.85 0.81 -5.12 116.66 110.76 1tz4 n ARG 35 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1tz4 n ARG 35 Cb 0.00 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 29.44 1tz4 n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10