#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiy s VAL 2 N 0.00 0.00 0.00 -2.13 0.11 -1.26 -5.06 120.40 112.06 1aiy s VAL 2 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1aiy s VAL 2 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1aiy s VAL 2 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1aiy n ASN 3 N 2.74 0.00 0.08 3.54 2.85 -1.26 -4.92 115.26 118.29 1aiy n ASN 3 Ca -0.15 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.28 1aiy n ASN 3 Cb 0.57 0.07 0.15 0.00 1.24 0.00 0.00 39.78 41.81 1aiy n ASN 3 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 1aiy h GLN 4 N 0.00 0.25 0.25 1.20 3.07 -1.97 0.17 115.11 118.08 1aiy h GLN 4 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1aiy h GLN 4 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1aiy h GLN 4 CO 0.00 0.72 -0.12 1.25 0.09 0.00 0.00 178.83 180.78 1aiy h HIS 5 N 0.20 -0.31 0.00 0.06 2.76 -1.99 -1.23 115.15 114.64 1aiy h HIS 5 Ca 0.00 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1aiy h HIS 5 Cb 1.01 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1aiy h HIS 5 CO 0.02 0.04 -0.21 -0.07 -1.30 0.00 0.00 177.93 176.41 1aiy h LEU 6 N -0.71 0.00 -0.75 0.26 3.38 -1.91 -2.04 115.31 113.54 1aiy h LEU 6 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1aiy h LEU 6 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1aiy h LEU 6 CO 0.06 0.21 -0.61 0.00 0.09 0.00 0.00 178.44 178.19 1aiy h GLY 8 N 1.93 0.00 -1.75 0.00 0.00 -0.48 -2.71 103.07 100.05 1aiy h GLY 8 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1aiy h GLY 8 CO 0.08 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.06 1aiy n SER 9 N -3.75 2.58 -0.00 0.19 7.64 -1.11 -3.63 113.62 115.54 1aiy n SER 9 Ca -0.01 -2.17 0.04 0.00 1.01 0.00 0.00 58.87 57.73 1aiy n SER 9 Cb 0.65 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1aiy n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1aiy n HIS 10 N 0.53 0.00 -0.10 1.43 8.25 -1.03 -4.60 115.22 119.70 1aiy n HIS 10 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 1aiy n HIS 10 Cb 0.48 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.36 1aiy n HIS 10 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1aiy n LEU 11 N -1.45 0.75 -0.35 2.41 4.77 -1.21 -3.89 117.00 118.03 1aiy n LEU 11 Ca 0.00 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1aiy n LEU 11 Cb 0.15 0.14 0.30 0.00 -2.33 0.00 0.00 43.42 41.68 1aiy n LEU 11 CO 0.15 0.60 1.19 -0.37 -1.33 0.00 0.00 177.39 177.64 1aiy h VAL 12 N 0.00 0.75 -0.11 4.08 -1.51 -1.81 0.41 116.25 118.06 1aiy h VAL 12 Ca -0.54 -0.28 -0.22 0.00 -1.23 0.00 0.00 66.70 64.44 1aiy h VAL 12 Cb 2.16 -0.12 0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1aiy h VAL 12 CO 0.01 0.15 -0.80 1.05 -1.23 0.00 0.00 177.57 176.74 1aiy h GLU 13 N 0.80 0.66 0.00 5.19 4.11 -1.82 -2.02 114.58 121.49 1aiy h GLU 13 Ca 0.56 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1aiy h GLU 13 Cb 0.80 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1aiy h GLU 13 CO -0.36 1.18 0.00 0.00 0.07 0.00 0.00 179.01 179.90 1aiy n ALA 14 N -2.58 1.98 -0.11 1.06 0.00 0.16 -3.42 120.51 117.60 1aiy n ALA 14 Ca -0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 1aiy n ALA 14 Cb 0.76 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 1aiy n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aiy n LEU 15 N -1.46 2.48 -0.13 0.00 4.77 0.12 -3.90 117.00 118.87 1aiy n LEU 15 Ca 0.06 0.13 0.27 0.00 -0.03 0.00 0.00 56.01 56.43 1aiy n LEU 15 Cb 0.23 -0.92 0.72 0.00 -2.33 0.00 0.00 43.42 41.12 1aiy n LEU 15 CO 0.19 0.74 1.24 0.22 -1.33 0.00 0.00 177.39 178.45 1aiy h TYR 16 N -0.43 0.00 0.20 -1.77 5.03 -1.39 -1.57 116.97 117.05 1aiy h TYR 16 Ca -0.58 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.72 1aiy h TYR 16 Cb 1.76 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.05 1aiy h TYR 16 CO 0.00 0.00 -0.10 -0.07 -1.32 0.00 0.00 178.16 176.68 1aiy h LEU 17 N 0.00 -0.23 -0.21 2.82 -0.00 -1.73 -0.56 115.31 115.40 1aiy h LEU 17 Ca 0.38 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.31 1aiy h LEU 17 Cb 1.55 0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 42.20 1aiy h LEU 17 CO -0.00 0.20 -0.53 0.58 -0.00 0.00 0.00 178.44 178.69 1aiy h VAL 18 N -1.00 0.02 -0.65 1.22 2.07 -1.55 0.20 116.25 116.56 1aiy h VAL 18 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1aiy h VAL 18 Cb 0.21 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1aiy h VAL 18 CO 0.05 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.04 1aiy n GLY 20 N -1.37 0.81 1.71 0.00 0.00 0.05 -3.24 105.19 103.16 1aiy n GLY 20 Ca 0.06 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1aiy n GLY 20 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1aiy n GLU 21 N 12.34 1.58 -0.11 1.61 2.13 -1.26 -3.98 120.64 132.94 1aiy n GLU 21 Ca 0.00 -1.18 -0.13 0.00 0.66 0.00 0.00 57.16 56.51 1aiy n GLU 21 Cb 0.00 -1.46 -0.14 0.00 0.27 0.00 0.00 31.44 30.11 1aiy n GLU 21 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1aiy n ARG 22 N 0.43 0.69 0.00 5.31 1.74 -1.20 -5.11 116.66 118.52 1aiy n ARG 22 Ca 0.23 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1aiy n ARG 22 Cb 0.65 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1aiy n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aiy n GLY 23 N 1.97 0.25 3.65 -0.13 0.00 -1.26 -5.11 105.19 104.57 1aiy n GLY 23 Ca -0.38 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 43.77 1aiy n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aiy s PHE 24 N -1.91 -0.13 0.08 1.61 -0.71 -1.26 -4.96 117.98 110.70 1aiy s PHE 24 Ca 0.00 -0.05 0.07 0.00 -1.04 0.00 0.00 56.93 55.91 1aiy s PHE 24 Cb 0.00 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1aiy s PHE 24 CO 0.00 -0.51 -0.18 -0.59 -1.34 0.00 0.00 175.22 172.60 1aiy s PHE 25 N -2.84 1.53 -0.11 3.49 -0.12 -1.26 -5.13 117.98 113.54 1aiy s PHE 25 Ca 0.12 -0.42 -0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1aiy s PHE 25 Cb 0.01 -0.86 0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1aiy s PHE 25 CO -0.02 0.13 -0.02 -0.47 -0.05 0.00 0.00 175.22 174.79 1aiy s TYR 26 N -1.13 1.04 -0.25 3.49 6.14 -1.26 -5.09 117.35 120.28 1aiy s TYR 26 Ca 0.03 -0.53 -0.03 0.00 0.64 0.00 0.00 57.07 57.18 1aiy s TYR 26 Cb -0.10 -1.00 0.10 0.00 0.42 0.00 0.00 41.96 41.38 1aiy s TYR 26 CO 0.03 -0.45 0.18 0.99 0.64 0.00 0.00 175.55 176.94 1aiy s THR 27 N 1.85 -0.20 -0.10 4.34 2.01 -1.26 -5.02 115.64 117.26 1aiy s THR 27 Ca 0.03 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 1aiy s THR 27 Cb -0.13 -0.85 -0.15 0.00 0.01 0.00 0.00 72.50 71.38 1aiy s THR 27 CO -0.07 -0.49 0.58 1.55 -0.69 0.00 0.00 174.62 175.50 1aiy h PRO 28 N 8.36 -0.07 0.00 4.92 0.13 -2.05 -3.48 132.00 139.80 1aiy h PRO 28 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1aiy h PRO 28 Cb 1.08 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1aiy h PRO 28 CO 0.36 0.43 0.00 1.17 -0.23 0.00 0.00 178.00 179.73 1aiy n LYS 29 N -4.77 0.00 0.00 0.86 4.81 -1.26 -5.35 118.16 112.45 1aiy n LYS 29 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.50 1aiy n LYS 29 Cb 0.26 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.41 1aiy n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82