#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf n GLN 2 N 0.00 1.24 -2.93 0.03 7.27 -1.26 -5.13 117.38 116.60 1aaf n GLN 2 Ca 0.00 -1.40 -0.04 0.00 0.07 0.00 0.00 57.00 55.63 1aaf n GLN 2 Cb 0.00 0.25 0.02 0.00 2.41 0.00 0.00 30.24 32.92 1aaf n GLN 2 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1aaf n ARG 3 N -1.28 0.58 0.00 3.69 -4.01 -1.26 -5.10 116.66 109.28 1aaf n ARG 3 Ca -0.17 -1.20 0.00 0.00 -1.04 0.00 0.00 57.85 55.44 1aaf n ARG 3 Cb 0.86 1.55 0.00 0.00 -3.04 0.00 0.00 32.46 31.83 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1aaf n GLY 4 N -0.42 0.13 3.61 2.89 0.00 -1.26 -5.16 105.19 104.98 1aaf n GLY 4 Ca -0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1aaf n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aaf s ASN 5 N 0.00 -0.30 -0.35 1.61 3.04 -1.26 -5.10 114.94 112.59 1aaf s ASN 5 Ca 0.00 -0.18 -0.27 0.00 0.04 0.00 0.00 52.86 52.44 1aaf s ASN 5 Cb 0.00 0.45 -0.05 0.00 -1.54 0.00 0.00 41.25 40.11 1aaf s ASN 5 CO 0.00 -0.78 2.20 0.12 -3.04 0.00 0.00 177.10 175.61 1aaf s PHE 6 N -3.25 1.25 -0.17 0.43 2.19 -1.26 -4.27 117.98 112.90 1aaf s PHE 6 Ca 0.08 0.91 -0.09 0.00 0.33 0.00 0.00 56.93 58.16 1aaf s PHE 6 Cb -0.01 -3.85 0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1aaf s PHE 6 CO -0.04 -3.30 0.18 -2.13 1.83 0.00 0.00 175.22 171.76 1aaf n ARG 7 N 8.83 -3.74 0.00 10.12 0.00 -1.26 -5.00 116.66 125.61 1aaf n ARG 7 Ca 0.30 2.91 0.00 0.00 -0.00 0.00 0.00 57.85 61.07 1aaf n ARG 7 Cb 0.49 -4.46 0.00 0.00 0.00 0.00 0.00 32.46 28.49 1aaf n ARG 7 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1aaf n ASN 8 N 1.30 0.00 -0.62 6.15 6.94 -1.26 -5.17 115.26 122.61 1aaf n ASN 8 Ca -0.31 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.28 1aaf n ASN 8 Cb 0.47 0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 38.02 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aaf n GLN 9 N -1.65 -0.43 -2.62 -3.83 1.13 -1.26 -4.97 117.38 103.74 1aaf n GLN 9 Ca 0.00 0.28 -0.15 0.00 -1.94 0.00 0.00 57.00 55.19 1aaf n GLN 9 Cb 0.00 -0.52 0.04 0.00 0.11 0.00 0.00 30.24 29.87 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1aaf n ARG 10 N -1.55 0.74 -1.82 -1.09 3.00 -1.26 -4.93 116.66 109.74 1aaf n ARG 10 Ca 0.00 -2.37 -0.39 0.00 -0.01 0.00 0.00 57.85 55.08 1aaf n ARG 10 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 32.46 32.44 1aaf n ARG 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1aaf s LYS 11 N -3.91 2.65 0.00 5.56 1.02 -1.26 -4.24 119.74 119.57 1aaf s LYS 11 Ca 0.41 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.61 1aaf s LYS 11 Cb -0.03 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.86 1aaf s LYS 11 CO 0.26 -2.66 0.00 1.51 -0.92 0.00 0.00 175.35 173.54 1aaf n ILE 12 N 7.58 0.00 -3.28 2.17 3.06 -1.26 -5.12 119.36 122.51 1aaf n ILE 12 Ca 0.27 0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 60.13 1aaf n ILE 12 Cb 0.51 -0.03 -0.08 0.00 0.54 0.00 0.00 39.64 40.59 1aaf n ILE 12 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 1aaf s ILE 13 N -1.43 5.11 0.00 9.51 -5.25 -1.26 -4.97 121.20 122.90 1aaf s ILE 13 Ca 0.00 0.83 0.00 0.00 -0.99 0.00 0.00 60.65 60.49 1aaf s ILE 13 Cb 0.00 -3.80 0.00 0.00 2.95 0.00 0.00 42.46 41.61 1aaf s ILE 13 CO 0.00 0.13 0.00 2.29 -1.79 0.00 0.00 174.94 175.57 1aaf n LYS 14 N 5.24 0.00 -1.86 0.37 -0.00 -1.26 -4.77 118.16 115.88 1aaf n LYS 14 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 1aaf n LYS 14 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.51 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf h PHE 16 N 5.44 0.00 0.00 0.00 -1.00 -1.90 -0.80 116.94 118.68 1aaf h PHE 16 Ca -0.46 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.13 1aaf h PHE 16 Cb 1.21 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.75 1aaf h PHE 16 CO 0.61 0.11 -1.64 -1.71 -1.61 0.00 0.00 178.31 174.07 1aaf n ASN 17 N -3.41 1.93 -0.02 2.17 5.15 -1.26 -4.62 115.26 115.19 1aaf n ASN 17 Ca -0.01 0.33 -0.09 0.00 -0.60 0.00 0.00 54.58 54.21 1aaf n ASN 17 Cb 0.28 -0.76 -0.14 0.00 -0.53 0.00 0.00 39.78 38.62 1aaf n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n GLY 19 N 1.57 3.18 3.72 0.00 0.00 -0.31 -5.02 105.19 108.34 1aaf n GLY 19 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1aaf n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 20 N -0.41 2.17 0.00 1.61 1.02 -1.26 -4.07 119.74 118.80 1aaf s LYS 20 Ca 0.00 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.81 1aaf s LYS 20 Cb 0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1aaf s LYS 20 CO 0.00 -1.82 0.00 -0.85 -0.92 0.00 0.00 175.35 171.76 1aaf n GLU 21 N -2.60 1.18 0.00 1.68 -0.00 -1.26 -1.47 120.64 118.16 1aaf n GLU 21 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 1aaf n GLU 21 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 1aaf n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aaf n GLY 22 N 4.82 2.96 3.50 -1.84 0.00 -1.26 -4.79 105.19 108.58 1aaf n GLY 22 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 23 N -2.00 0.06 0.37 1.61 -3.43 -1.26 -5.14 115.29 105.49 1aaf s HIS 23 Ca 0.00 -0.41 0.06 0.00 -0.80 0.00 0.00 55.06 53.90 1aaf s HIS 23 Cb 0.00 0.27 -0.00 0.00 -1.43 0.00 0.00 32.58 31.42 1aaf s HIS 23 CO 0.00 -0.89 0.52 0.96 -2.00 0.00 0.00 174.74 173.33 1aaf s ILE 24 N -3.91 3.88 -0.07 -5.38 -0.00 -1.26 -4.10 121.20 110.36 1aaf s ILE 24 Ca 0.13 -0.93 0.13 0.00 -0.00 0.00 0.00 60.65 59.98 1aaf s ILE 24 Cb -0.00 -3.35 -0.08 0.00 -0.00 0.00 0.00 42.46 39.02 1aaf s ILE 24 CO -0.01 -0.15 1.17 0.00 -0.00 0.00 0.00 174.94 175.95 1aaf h ALA 25 N 0.77 0.60 0.00 2.27 0.00 -1.94 -1.15 119.26 119.80 1aaf h ALA 25 Ca -0.45 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 53.66 1aaf h ALA 25 Cb 1.26 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1aaf h ALA 25 CO 0.52 0.95 -0.15 -0.22 0.00 0.00 0.00 179.25 180.36 1aaf h LYS 26 N 0.00 0.00 -0.91 0.00 3.11 -2.03 -1.86 116.57 114.87 1aaf h LYS 26 Ca -0.07 0.00 -0.51 0.00 -2.81 0.00 0.00 60.65 57.25 1aaf h LYS 26 Cb 1.60 0.00 -0.28 0.00 -1.00 0.00 0.00 32.23 32.54 1aaf h LYS 26 CO 0.08 0.15 0.58 -1.71 -2.81 0.00 0.00 179.45 175.73 1aaf n ASN 27 N -4.31 4.49 -4.37 4.20 5.15 -0.47 -4.95 115.26 115.00 1aaf n ASN 27 Ca -0.03 -3.68 -0.34 0.00 -0.60 0.00 0.00 54.58 49.93 1aaf n ASN 27 Cb 0.22 -0.83 -0.14 0.00 -0.53 0.00 0.00 39.78 38.50 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n ARG 29 N 4.27 3.32 -1.74 0.00 5.12 -1.26 -5.03 116.66 121.34 1aaf n ARG 29 Ca -0.18 -4.18 -0.42 0.00 -1.93 0.00 0.00 57.85 51.15 1aaf n ARG 29 Cb 0.52 -2.18 -0.01 0.00 -1.16 0.00 0.00 32.46 29.63 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aaf n ALA 30 N -0.61 2.04 -1.88 7.54 0.00 -1.26 -4.70 120.51 121.64 1aaf n ALA 30 Ca 0.38 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.76 1aaf n ALA 30 Cb 0.86 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 1aaf n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aaf s PRO 31 N -1.74 3.12 -0.16 0.00 0.04 -1.26 -4.69 135.00 130.31 1aaf s PRO 31 Ca 0.56 1.48 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1aaf s PRO 31 Cb -0.51 -4.29 -0.14 0.00 0.04 0.00 0.00 34.50 29.61 1aaf s PRO 31 CO 0.61 -2.11 -0.07 -2.13 0.04 0.00 0.00 177.00 173.33 1aaf n ARG 32 N 8.63 0.98 -4.10 4.56 3.00 -1.26 -4.91 116.66 123.55 1aaf n ARG 32 Ca 0.25 0.06 -0.25 0.00 -0.00 0.00 0.00 57.85 57.91 1aaf n ARG 32 Cb 0.47 -1.35 -0.17 0.00 0.00 0.00 0.00 32.46 31.42 1aaf n ARG 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1aaf s LYS 33 N -2.34 1.34 0.42 -0.14 0.00 -1.26 -5.14 119.74 112.62 1aaf s LYS 33 Ca -0.17 -0.23 0.03 0.00 0.00 0.00 0.00 55.97 55.61 1aaf s LYS 33 Cb 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 37.83 36.57 1aaf s LYS 33 CO 0.47 -0.17 0.24 2.89 0.00 0.00 0.00 175.35 178.78 1aaf n ARG 34 N 4.54 0.91 0.00 1.78 1.85 -1.26 -5.08 116.66 119.39 1aaf n ARG 34 Ca -0.16 -2.71 0.00 0.00 -1.00 0.00 0.00 57.85 53.97 1aaf n ARG 34 Cb 0.51 0.41 0.00 0.00 -1.05 0.00 0.00 32.46 32.32 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aaf n GLY 35 N -0.01 5.62 3.18 2.89 0.00 -1.26 -3.76 105.19 111.85 1aaf n GLY 35 Ca -0.05 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf h TRP 37 N 6.90 0.01 0.00 0.00 7.01 -1.89 -0.48 115.95 127.50 1aaf h TRP 37 Ca -0.23 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.76 1aaf h TRP 37 Cb 1.22 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 1aaf h TRP 37 CO 0.47 0.47 0.00 1.17 -2.79 0.00 0.00 178.44 177.76 1aaf n LYS 38 N -3.99 0.00 0.05 2.65 3.00 -1.26 -4.55 118.16 114.07 1aaf n LYS 38 Ca -0.02 0.50 0.12 0.00 -0.00 0.00 0.00 58.31 58.91 1aaf n LYS 38 Cb 0.48 -1.11 0.14 0.00 0.00 0.00 0.00 35.03 34.54 1aaf n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf n GLY 40 N 1.34 0.83 3.95 0.00 0.00 -0.19 -5.03 105.19 106.10 1aaf n GLY 40 Ca 0.03 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1aaf n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aaf s LYS 41 N -3.76 3.28 -0.56 1.61 2.20 -1.26 -4.84 119.74 116.41 1aaf s LYS 41 Ca 0.00 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.06 1aaf s LYS 41 Cb 0.00 -2.65 0.14 0.00 -1.51 0.00 0.00 37.83 33.81 1aaf s LYS 41 CO 0.00 -0.01 0.39 -2.00 -0.36 0.00 0.00 175.35 173.37 1aaf s GLU 42 N -4.37 2.50 0.00 4.03 2.12 -1.26 -1.41 118.70 120.31 1aaf s GLU 42 Ca 0.43 -2.18 0.00 0.00 0.36 0.00 0.00 54.97 53.58 1aaf s GLU 42 Cb -0.10 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1aaf s GLU 42 CO 0.36 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 1aaf n GLY 43 N 4.12 -0.01 3.62 -1.50 0.00 -1.25 -4.97 105.19 105.20 1aaf n GLY 43 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 44 N 0.00 -0.01 0.30 1.61 -3.43 -1.26 -5.07 115.29 107.43 1aaf s HIS 44 Ca 0.00 -0.03 0.05 0.00 -0.80 0.00 0.00 55.06 54.28 1aaf s HIS 44 Cb 0.00 0.52 0.05 0.00 -1.43 0.00 0.00 32.58 31.72 1aaf s HIS 44 CO 0.00 -0.10 0.42 1.04 -2.00 0.00 0.00 174.74 174.10 1aaf n GLN 45 N -0.55 0.79 -0.12 -0.38 6.02 -1.26 -3.60 117.38 118.28 1aaf n GLN 45 Ca -0.08 -1.64 0.01 0.00 -0.01 0.00 0.00 57.00 55.28 1aaf n GLN 45 Cb 0.63 -0.13 0.28 0.00 1.02 0.00 0.00 30.24 32.05 1aaf n GLN 45 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1aaf h MET 46 N 0.00 0.80 0.00 -1.09 1.85 -1.96 0.84 114.93 115.37 1aaf h MET 46 Ca -0.14 -0.08 -0.11 0.00 -0.61 0.00 0.00 59.70 58.76 1aaf h MET 46 Cb 0.65 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 1aaf h MET 46 CO 0.20 0.59 -0.53 -0.22 -0.40 0.00 0.00 176.91 176.56 1aaf h LYS 47 N 0.80 0.00 -0.72 0.39 3.64 -2.02 -1.16 116.57 117.50 1aaf h LYS 47 Ca 0.21 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.30 1aaf h LYS 47 Cb 0.03 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.68 1aaf h LYS 47 CO -0.03 0.53 0.31 -0.25 -2.27 0.00 0.00 179.45 177.73 1aaf n ASP 48 N -3.29 4.06 -4.83 4.20 9.92 -0.20 -4.95 116.55 121.46 1aaf n ASP 48 Ca 0.01 -3.41 -0.33 0.00 -0.53 0.00 0.00 54.79 50.53 1aaf n ASP 48 Cb 0.71 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 40.39 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aaf h THR 50 N 1.63 0.00 -0.80 0.00 1.03 -1.88 -3.46 112.91 109.43 1aaf h THR 50 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1aaf h THR 50 Cb 1.18 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1aaf h THR 50 CO 0.61 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 174.28 1aaf n GLU 51 N -2.89 0.00 -3.62 0.00 0.28 -1.26 -4.58 120.64 108.57 1aaf n GLU 51 Ca -0.03 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.69 1aaf n GLU 51 Cb 0.12 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.84 1aaf n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1aaf s ARG 52 N 0.00 0.31 0.44 3.44 3.03 -1.26 -5.14 118.95 119.76 1aaf s ARG 52 Ca 0.00 -0.48 0.07 0.00 2.03 0.00 0.00 55.73 57.35 1aaf s ARG 52 Cb 0.00 -1.61 0.07 0.00 -1.03 0.00 0.00 34.95 32.38 1aaf s ARG 52 CO 0.00 -0.87 0.57 0.94 -1.13 0.00 0.00 175.30 174.81 1aaf n GLN 53 N 5.17 0.72 0.00 3.89 -0.06 -1.26 -5.07 117.38 120.77 1aaf n GLN 53 Ca -0.06 -2.43 0.00 0.00 -2.00 0.00 0.00 57.00 52.51 1aaf n GLN 53 Cb 0.45 -0.11 0.00 0.00 -4.06 0.00 0.00 30.24 26.51 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aaf n ALA 54 N -2.43 2.70 -0.52 1.69 0.00 -1.26 -5.31 120.51 115.38 1aaf n ALA 54 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1aaf n ALA 54 Cb 0.46 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1aaf n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77