#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4aiy h VAL 2 N 0.00 1.33 -0.81 -2.13 -1.51 -2.05 -3.29 116.25 107.80 4aiy h VAL 2 Ca 0.00 -2.67 0.15 0.00 -1.23 0.00 0.00 66.70 62.94 4aiy h VAL 2 Cb 0.00 2.52 -0.09 0.00 -2.13 0.00 0.00 31.29 31.59 4aiy h VAL 2 CO 0.00 0.71 0.38 -1.13 -1.23 0.00 0.00 177.57 176.31 4aiy h ASN 3 N 0.00 0.42 0.70 4.19 -0.73 -2.04 -1.34 115.58 116.79 4aiy h ASN 3 Ca -0.01 0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 4aiy h ASN 3 Cb 1.46 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 40.09 4aiy h ASN 3 CO 0.09 0.17 -0.44 -0.61 -0.37 0.00 0.00 177.43 176.27 4aiy h GLN 4 N 0.55 -1.04 0.00 6.67 4.15 -1.98 0.92 115.11 124.37 4aiy h GLN 4 Ca 0.44 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.93 4aiy h GLN 4 Cb 0.65 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.58 4aiy h GLN 4 CO -0.38 -0.69 0.00 1.58 -1.93 0.00 0.00 178.83 177.41 4aiy n HIS 5 N -5.58 0.39 -0.10 3.99 -0.00 -0.97 -1.22 115.22 111.73 4aiy n HIS 5 Ca -0.14 0.18 -0.19 0.00 0.46 0.00 0.00 57.72 58.03 4aiy n HIS 5 Cb 0.46 -0.79 -0.06 0.00 -0.12 0.00 0.00 29.99 29.47 4aiy n HIS 5 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 4aiy n LEU 6 N -1.88 1.70 0.00 0.27 4.77 -0.54 -4.40 117.00 116.92 4aiy n LEU 6 Ca 0.00 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 4aiy n LEU 6 Cb 0.08 -0.69 0.30 0.00 -2.33 0.00 0.00 43.42 40.79 4aiy n LEU 6 CO 0.09 0.20 0.93 0.00 -1.33 0.00 0.00 177.39 177.29 4aiy h GLY 8 N 0.83 0.00 2.00 0.00 0.00 -1.30 0.31 103.07 104.91 4aiy h GLY 8 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 4aiy h GLY 8 CO 0.01 0.00 -0.30 0.23 0.00 0.00 0.00 176.54 176.48 4aiy h SER 9 N 0.00 0.00 0.73 0.19 0.87 -1.50 -2.73 113.55 111.11 4aiy h SER 9 Ca 0.17 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.54 4aiy h SER 9 Cb 0.85 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 4aiy h SER 9 CO -0.00 0.30 -1.39 0.45 -0.53 0.00 0.00 176.83 175.67 4aiy h HIS 10 N 0.00 0.00 -0.76 2.24 3.86 -0.52 -3.31 115.15 116.66 4aiy h HIS 10 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 4aiy h HIS 10 Cb 0.55 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 4aiy h HIS 10 CO 0.00 0.66 0.44 -0.07 0.86 0.00 0.00 177.93 179.82 4aiy h LEU 11 N 0.00 0.93 -1.07 2.43 3.38 -1.09 -1.91 115.31 117.98 4aiy h LEU 11 Ca -0.17 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 4aiy h LEU 11 Cb 1.65 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 4aiy h LEU 11 CO 0.06 0.73 0.01 -0.37 0.09 0.00 0.00 178.44 178.96 4aiy h VAL 12 N 1.04 1.22 -0.74 1.22 -1.51 -1.64 -0.11 116.25 115.74 4aiy h VAL 12 Ca 0.27 -0.89 0.04 0.00 -1.23 0.00 0.00 66.70 64.89 4aiy h VAL 12 Cb -0.01 0.89 -0.05 0.00 -2.13 0.00 0.00 31.29 30.00 4aiy h VAL 12 CO -0.05 0.31 0.46 -0.33 -1.23 0.00 0.00 177.57 176.73 4aiy h GLU 13 N 0.63 0.86 -0.06 5.19 5.08 -1.44 -1.53 114.58 123.32 4aiy h GLU 13 Ca 0.13 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 4aiy h GLU 13 Cb 0.38 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.45 4aiy h GLU 13 CO 0.01 0.57 -0.87 0.00 -1.00 0.00 0.00 179.01 177.72 4aiy h ALA 14 N 1.33 0.36 0.24 3.43 0.00 -1.19 -2.77 119.26 120.66 4aiy h ALA 14 Ca 0.31 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 4aiy h ALA 14 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 4aiy h ALA 14 CO -0.13 0.74 -0.19 -0.07 0.00 0.00 0.00 179.25 179.60 4aiy h LEU 15 N 0.36 -0.51 -0.15 0.00 3.38 -0.27 0.26 115.31 118.37 4aiy h LEU 15 Ca -0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 4aiy h LEU 15 Cb 1.49 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.40 4aiy h LEU 15 CO 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.42 4aiy n TYR 16 N -3.48 0.11 0.04 1.13 4.11 -0.65 -0.44 117.16 117.98 4aiy n TYR 16 Ca -0.05 0.05 -0.20 0.00 -0.00 0.00 0.00 57.90 57.70 4aiy n TYR 16 Cb 0.18 -0.58 -0.14 0.00 -0.00 0.00 0.00 39.34 38.80 4aiy n TYR 16 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 4aiy h LEU 17 N 0.00 0.43 -0.35 -3.48 5.85 -1.06 -0.67 115.31 116.03 4aiy h LEU 17 Ca 0.00 -0.93 -0.11 0.00 0.84 0.00 0.00 57.88 57.69 4aiy h LEU 17 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 4aiy h LEU 17 CO 0.00 1.43 -0.19 0.58 -0.34 0.00 0.00 178.44 179.92 4aiy h VAL 18 N -0.39 1.29 0.00 1.05 2.07 0.34 -2.58 116.25 118.03 4aiy h VAL 18 Ca -0.17 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.97 4aiy h VAL 18 Cb 1.64 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 4aiy h VAL 18 CO 0.12 0.43 -0.24 0.00 0.02 0.00 0.00 177.57 177.91 4aiy n GLY 20 N -0.24 1.18 0.07 0.00 0.00 -0.26 -1.98 105.19 103.96 4aiy n GLY 20 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.31 4aiy n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 4aiy n GLU 21 N 0.00 0.65 -0.76 1.61 1.02 -1.26 -4.77 120.64 117.13 4aiy n GLU 21 Ca 0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 4aiy n GLU 21 Cb 0.00 -1.62 0.16 0.00 -0.02 0.00 0.00 31.44 29.96 4aiy n GLU 21 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 4aiy s ARG 22 N -3.03 1.09 0.53 3.49 0.52 -0.84 -5.02 118.95 115.70 4aiy s ARG 22 Ca -0.07 1.61 0.07 0.00 -0.52 0.00 0.00 55.73 56.82 4aiy s ARG 22 Cb 0.10 -1.73 0.09 0.00 0.52 0.00 0.00 34.95 33.93 4aiy s ARG 22 CO 0.85 -2.59 0.73 0.41 0.02 0.00 0.00 175.30 174.73 4aiy n GLY 23 N 0.31 1.73 3.43 -3.53 0.00 -1.26 -4.83 105.19 101.05 4aiy n GLY 23 Ca 0.12 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 4aiy n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 4aiy s PHE 24 N -2.24 -0.52 -0.28 1.61 -0.71 -1.26 -5.01 117.98 109.56 4aiy s PHE 24 Ca 0.54 1.06 -0.13 0.00 -1.04 0.00 0.00 56.93 57.36 4aiy s PHE 24 Cb -0.04 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 4aiy s PHE 24 CO 0.35 -0.43 0.30 -0.59 -1.34 0.00 0.00 175.22 173.51 4aiy s PHE 25 N -0.64 3.23 -0.31 3.49 -0.12 -1.26 -5.04 117.98 117.33 4aiy s PHE 25 Ca -0.07 0.26 -0.07 0.00 -0.05 0.00 0.00 56.93 57.00 4aiy s PHE 25 Cb -0.03 -2.51 0.02 0.00 -0.63 0.00 0.00 43.02 39.87 4aiy s PHE 25 CO 0.05 -0.22 0.10 -0.47 -0.05 0.00 0.00 175.22 174.62 4aiy s TYR 26 N 1.95 3.18 -0.32 3.49 5.04 -1.26 -5.05 117.35 124.38 4aiy s TYR 26 Ca 0.12 -1.04 0.02 0.00 -2.44 0.00 0.00 57.07 53.72 4aiy s TYR 26 Cb -0.16 -2.28 0.10 0.00 0.35 0.00 0.00 41.96 39.97 4aiy s TYR 26 CO 0.10 -0.61 0.06 0.99 -1.34 0.00 0.00 175.55 174.76 4aiy s THR 27 N 1.49 1.73 -0.51 4.34 2.01 -1.26 -4.96 115.64 118.48 4aiy s THR 27 Ca 0.02 -1.94 0.26 0.00 0.31 0.00 0.00 61.69 60.34 4aiy s THR 27 Cb -0.18 -2.27 0.31 0.00 0.01 0.00 0.00 72.50 70.37 4aiy s THR 27 CO 0.03 -0.59 1.74 1.55 -0.69 0.00 0.00 174.62 176.66 4aiy h PRO 28 N 7.80 0.00 -4.94 4.92 0.13 -2.01 -3.39 132.00 134.52 4aiy h PRO 28 Ca -0.08 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.53 4aiy h PRO 28 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.16 4aiy h PRO 28 CO 0.50 0.00 1.76 1.17 -0.23 0.00 0.00 178.00 181.20 4aiy n LYS 29 N -2.59 1.58 0.00 0.86 0.00 -1.26 -5.13 118.16 111.62 4aiy n LYS 29 Ca 0.04 -2.15 0.09 0.00 0.00 0.00 0.00 58.31 56.29 4aiy n LYS 29 Cb 0.41 -3.28 0.53 0.00 0.00 0.00 0.00 35.03 32.69 4aiy n LYS 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81