#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 -5.05 120.40 112.07 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 2.83 0.00 0.09 3.54 2.85 -1.26 -4.91 115.26 118.40 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 0.06 0.16 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 0.22 -0.03 1.20 3.07 -1.97 0.22 115.11 117.82 1aiy h GLN 4 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 1aiy h GLN 4 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 1aiy h GLN 4 CO 0.00 0.70 -0.02 1.25 0.09 0.00 0.00 178.83 180.84 1aiy h HIS 5 N 0.17 0.08 0.00 0.06 2.76 -1.99 -1.53 115.15 114.71 1aiy h HIS 5 Ca 0.00 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1aiy h HIS 5 Cb 1.00 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 1aiy h HIS 5 CO 0.02 0.52 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.82 1aiy h LEU 6 N -0.38 0.00 -0.72 0.26 3.38 -1.90 -2.53 115.31 113.42 1aiy h LEU 6 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1aiy h LEU 6 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1aiy h LEU 6 CO 0.01 0.28 -0.64 0.00 0.09 0.00 0.00 178.44 178.18 1aiy h GLY 8 N 1.88 0.06 -1.23 0.00 0.00 -0.84 -2.72 103.07 100.22 1aiy h GLY 8 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1aiy h GLY 8 CO 0.08 0.07 0.00 1.44 0.00 0.00 0.00 176.54 178.13 1aiy n SER 9 N -3.79 1.79 -0.00 0.19 7.64 -1.13 -3.57 113.62 114.76 1aiy n SER 9 Ca -0.01 -2.02 0.05 0.00 1.01 0.00 0.00 58.87 57.90 1aiy n SER 9 Cb 0.64 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.44 0.00 -0.09 1.43 8.25 -1.03 -4.56 115.22 119.66 1aiy n HIS 10 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 1aiy n HIS 10 Cb 0.29 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.63 0.17 -0.23 2.41 4.77 -1.21 -3.87 117.00 117.42 1aiy n LEU 11 Ca -0.00 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1aiy n LEU 11 Cb 0.23 0.44 0.43 0.00 -2.33 0.00 0.00 43.42 42.18 1aiy n LEU 11 CO 0.21 0.48 1.22 -0.37 -1.33 0.00 0.00 177.39 177.60 1aiy h VAL 12 N 0.00 0.82 0.12 4.08 -1.51 -1.80 0.26 116.25 118.21 1aiy h VAL 12 Ca -0.51 -0.20 -0.28 0.00 -1.23 0.00 0.00 66.70 64.48 1aiy h VAL 12 Cb 2.21 0.18 0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1aiy h VAL 12 CO 0.04 0.11 -1.22 1.05 -1.23 0.00 0.00 177.57 176.32 1aiy h GLU 13 N 0.59 0.46 0.00 5.19 4.11 -1.82 -2.49 114.58 120.62 1aiy h GLU 13 Ca 0.42 -0.66 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1aiy h GLU 13 Cb 0.77 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1aiy h GLU 13 CO -0.17 1.28 0.00 0.00 0.07 0.00 0.00 179.01 180.19 1aiy n ALA 14 N -2.61 2.09 -0.12 1.06 0.00 -0.19 -3.38 120.51 117.36 1aiy n ALA 14 Ca -0.11 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1aiy n ALA 14 Cb 0.98 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.38 2.64 -0.09 0.00 4.77 0.73 -3.90 117.00 119.77 1aiy n LEU 15 Ca 0.08 0.03 0.24 0.00 -0.03 0.00 0.00 56.01 56.33 1aiy n LEU 15 Cb 0.21 -0.90 0.69 0.00 -2.33 0.00 0.00 43.42 41.09 1aiy n LEU 15 CO 0.18 0.82 1.22 0.22 -1.33 0.00 0.00 177.39 178.50 1aiy h TYR 16 N -0.30 0.03 0.23 -1.77 5.03 -1.45 -1.71 116.97 117.02 1aiy h TYR 16 Ca -0.60 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.70 1aiy h TYR 16 Cb 1.81 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.09 1aiy h TYR 16 CO 0.00 0.01 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.67 1aiy h LEU 17 N 0.02 -0.26 -0.14 2.82 -0.00 -1.74 -0.83 115.31 115.18 1aiy h LEU 17 Ca 0.34 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.25 1aiy h LEU 17 Cb 1.31 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 42.00 1aiy h LEU 17 CO -0.01 0.14 -0.30 0.58 -0.00 0.00 0.00 178.44 178.85 1aiy h VAL 18 N -0.95 0.00 -0.89 1.22 2.07 -1.57 0.48 116.25 116.61 1aiy h VAL 18 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1aiy h VAL 18 Cb 0.24 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1aiy h VAL 18 CO 0.05 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.21 1aiy n GLY 20 N -1.42 0.58 1.84 0.00 0.00 0.16 -3.31 105.19 103.04 1aiy n GLY 20 Ca 0.16 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 12.18 1.72 -0.10 1.61 2.13 -1.26 -4.07 120.64 132.85 1aiy n GLU 21 Ca 0.00 -1.42 -0.13 0.00 0.66 0.00 0.00 57.16 56.28 1aiy n GLU 21 Cb 0.00 -1.56 -0.13 0.00 0.27 0.00 0.00 31.44 30.03 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 0.42 0.79 0.00 5.31 1.74 -1.21 -5.12 116.66 118.60 1aiy n ARG 22 Ca 0.27 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1aiy n ARG 22 Cb 0.59 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 2.11 0.70 3.63 -0.13 0.00 -1.26 -5.11 105.19 105.12 1aiy n GLY 23 Ca -0.36 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.85 -0.32 0.09 1.61 -0.71 -1.26 -4.99 117.98 109.55 1aiy s PHE 24 Ca 0.00 0.04 0.09 0.00 -1.04 0.00 0.00 56.93 56.02 1aiy s PHE 24 Cb 0.00 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1aiy s PHE 24 CO 0.00 -0.89 -0.23 -0.59 -1.34 0.00 0.00 175.22 172.17 1aiy s PHE 25 N -3.57 1.98 -0.15 3.49 -0.12 -1.26 -5.12 117.98 113.23 1aiy s PHE 25 Ca 0.07 -0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 1aiy s PHE 25 Cb -0.02 -1.12 0.04 0.00 -0.63 0.00 0.00 43.02 41.29 1aiy s PHE 25 CO -0.04 0.20 -0.05 -0.47 -0.05 0.00 0.00 175.22 174.81 1aiy s TYR 26 N -1.00 1.53 -0.27 3.49 6.14 -1.26 -5.09 117.35 120.89 1aiy s TYR 26 Ca 0.09 -0.92 -0.03 0.00 0.64 0.00 0.00 57.07 56.85 1aiy s TYR 26 Cb -0.10 -1.24 0.11 0.00 0.42 0.00 0.00 41.96 41.15 1aiy s TYR 26 CO 0.04 -0.57 0.19 0.99 0.64 0.00 0.00 175.55 176.84 1aiy s THR 27 N 1.69 -0.21 -0.10 4.34 2.01 -1.26 -5.02 115.64 117.10 1aiy s THR 27 Ca 0.02 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1aiy s THR 27 Cb -0.15 -0.92 -0.17 0.00 0.01 0.00 0.00 72.50 71.28 1aiy s THR 27 CO -0.08 -0.55 0.68 1.55 -0.69 0.00 0.00 174.62 175.53 1aiy h PRO 28 N 8.35 -0.06 0.00 4.92 0.13 -2.06 -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 64.96 1aiy h PRO 28 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1aiy h PRO 28 CO 0.38 0.53 0.00 1.17 -0.23 0.00 0.00 178.00 179.85 1aiy n LYS 29 N -4.75 0.00 0.00 0.86 4.81 -1.26 -5.35 118.16 112.47 1aiy n LYS 29 Ca -0.07 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.50 1aiy n LYS 29 Cb 0.30 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.61 1aiy n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82