#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 0.00 -1.93 0.03 3.00 -1.26 -4.75 117.38 112.47 1aaf n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1aaf n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1aaf n GLN 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1aaf n ARG 3 N 0.00 -4.30 -3.64 -1.09 1.74 -1.26 -5.10 116.66 103.01 1aaf n ARG 3 Ca 0.00 3.19 -0.06 0.00 -0.77 0.00 0.00 57.85 60.21 1aaf n ARG 3 Cb 0.00 -3.67 -0.07 0.00 -1.02 0.00 0.00 32.46 27.70 1aaf n ARG 3 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1aaf s GLY 4 N -0.45 -0.02 -0.36 -0.13 0.00 -1.26 -5.13 107.32 99.98 1aaf s GLY 4 Ca 0.00 2.98 -0.05 0.00 0.00 0.00 0.00 44.72 47.65 1aaf s GLY 4 CO 0.00 2.15 1.01 -1.31 0.00 0.00 0.00 173.10 174.95 1aaf s ASN 5 N 0.64 -0.51 -0.04 1.64 -0.87 -1.26 -5.16 114.94 109.37 1aaf s ASN 5 Ca -0.01 -0.44 0.02 0.00 -1.57 0.00 0.00 52.86 50.86 1aaf s ASN 5 Cb -0.04 0.67 0.01 0.00 -0.02 0.00 0.00 41.25 41.86 1aaf s ASN 5 CO -0.11 -0.04 -0.09 0.12 -2.57 0.00 0.00 177.10 174.41 1aaf s PHE 6 N 1.44 1.07 0.00 2.20 5.36 -1.26 -5.04 117.98 121.75 1aaf s PHE 6 Ca 0.20 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1aaf s PHE 6 Cb 0.06 -0.80 0.00 0.00 -0.34 0.00 0.00 43.02 41.94 1aaf s PHE 6 CO -0.12 -0.17 0.00 0.54 -1.46 0.00 0.00 175.22 174.02 1aaf n ARG 7 N 3.57 0.00 -2.73 10.12 1.74 -1.26 -4.94 116.66 123.17 1aaf n ARG 7 Ca -0.21 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.81 1aaf n ARG 7 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.97 1aaf n ARG 7 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1aaf n ASN 8 N -0.89 -7.60 -3.78 0.55 5.15 -1.26 -5.01 115.26 102.42 1aaf n ASN 8 Ca 0.00 0.71 0.04 0.00 -0.60 0.00 0.00 54.58 54.74 1aaf n ASN 8 Cb 0.00 -5.11 0.00 0.00 -0.53 0.00 0.00 39.78 34.15 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf s GLN 9 N -2.26 0.05 -0.01 1.20 1.03 -1.26 -5.02 119.66 113.39 1aaf s GLN 9 Ca 0.18 -0.03 0.17 0.00 0.04 0.00 0.00 55.36 55.71 1aaf s GLN 9 Cb -0.05 0.02 0.29 0.00 0.03 0.00 0.00 33.01 33.29 1aaf s GLN 9 CO 0.72 -0.02 1.12 -2.13 -2.54 0.00 0.00 175.29 172.43 1aaf n ARG 10 N -0.74 0.05 -0.52 9.60 3.00 -1.26 -4.81 116.66 121.98 1aaf n ARG 10 Ca -0.02 -1.68 -0.01 0.00 -0.00 0.00 0.00 57.85 56.14 1aaf n ARG 10 Cb 0.61 0.14 -0.01 0.00 0.00 0.00 0.00 32.46 33.20 1aaf n ARG 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1aaf n LYS 11 N 0.29 0.00 -4.26 -0.14 5.02 -1.26 -5.12 118.16 112.69 1aaf n LYS 11 Ca -0.06 -0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 55.90 1aaf n LYS 11 Cb 0.99 0.11 -0.09 0.00 -0.02 0.00 0.00 35.03 36.01 1aaf n LYS 11 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1aaf s ILE 12 N 0.00 0.13 -0.46 -0.18 -1.09 -1.26 -5.13 121.20 113.21 1aaf s ILE 12 Ca 0.00 -2.00 0.07 0.00 -2.23 0.00 0.00 60.65 56.49 1aaf s ILE 12 Cb 0.00 -2.52 0.19 0.00 -1.58 0.00 0.00 42.46 38.55 1aaf s ILE 12 CO 0.00 0.00 0.69 -0.51 -1.23 0.00 0.00 174.94 173.89 1aaf s ILE 13 N -3.86 -0.98 0.86 2.92 1.10 -1.26 -4.89 121.20 115.10 1aaf s ILE 13 Ca 0.38 -0.49 -0.11 0.00 -0.51 0.00 0.00 60.65 59.92 1aaf s ILE 13 Cb 0.06 0.00 0.15 0.00 0.15 0.00 0.00 42.46 42.82 1aaf s ILE 13 CO 0.16 0.00 1.20 -1.59 -2.11 0.00 0.00 174.94 172.60 1aaf s LYS 14 N 1.36 1.19 -0.23 3.50 -2.85 -1.26 -4.63 119.74 116.83 1aaf s LYS 14 Ca 0.23 -0.48 -0.10 0.00 -1.00 0.00 0.00 55.97 54.61 1aaf s LYS 14 Cb -0.02 -2.00 -0.05 0.00 -2.06 0.00 0.00 37.83 33.70 1aaf s LYS 14 CO -0.06 -1.98 0.15 0.00 0.10 0.00 0.00 175.35 173.55 1aaf h PHE 16 N 7.30 0.00 0.00 0.00 3.57 -1.90 -0.54 116.94 125.37 1aaf h PHE 16 Ca -0.39 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 60.84 1aaf h PHE 16 Cb 1.17 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1aaf h PHE 16 CO 0.64 0.09 -1.51 -1.71 -2.23 0.00 0.00 178.31 173.60 1aaf n ASN 17 N -3.22 1.88 -0.09 0.41 5.15 -1.26 -4.52 115.26 113.61 1aaf n ASN 17 Ca 0.01 0.40 -0.17 0.00 -0.60 0.00 0.00 54.58 54.22 1aaf n ASN 17 Cb 0.37 -0.94 -0.13 0.00 -0.53 0.00 0.00 39.78 38.55 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 2.08 1.12 3.35 0.00 0.00 -0.21 -5.09 105.19 106.44 1aaf n GLY 19 Ca -0.39 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -2.39 -0.02 1.61 -0.14 -1.25 -4.31 119.74 113.23 1aaf s LYS 20 Ca 0.00 0.36 0.05 0.00 -1.36 0.00 0.00 55.97 55.02 1aaf s LYS 20 Cb 0.00 -1.42 -0.07 0.00 -1.68 0.00 0.00 37.83 34.66 1aaf s LYS 20 CO 0.00 -4.57 0.07 -0.85 -0.76 0.00 0.00 175.35 169.24 1aaf n GLU 21 N -5.45 1.48 0.31 1.68 0.28 -1.26 0.31 120.64 117.99 1aaf n GLU 21 Ca 0.09 -0.03 0.18 0.00 -0.16 0.00 0.00 57.16 57.24 1aaf n GLU 21 Cb 0.58 -1.12 0.99 0.00 1.43 0.00 0.00 31.44 33.33 1aaf n GLU 21 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1aaf h GLY 22 N 0.90 0.00 -1.89 -1.84 0.00 -1.94 -3.42 103.07 94.88 1aaf h GLY 22 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 1aaf h GLY 22 CO 0.00 0.00 -0.34 -2.38 0.00 0.00 0.00 176.54 173.82 1aaf s HIS 23 N -4.33 1.31 0.35 5.60 -3.43 -1.26 -5.11 115.29 108.42 1aaf s HIS 23 Ca -0.04 -1.43 0.09 0.00 -0.80 0.00 0.00 55.06 52.88 1aaf s HIS 23 Cb 0.14 -0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 30.86 1aaf s HIS 23 CO 0.50 -0.99 -0.08 0.96 -2.00 0.00 0.00 174.74 173.14 1aaf s ILE 24 N -3.33 2.23 -0.04 -5.38 -0.00 -1.26 -3.37 121.20 110.06 1aaf s ILE 24 Ca 0.35 -2.17 0.13 0.00 -0.00 0.00 0.00 60.65 58.96 1aaf s ILE 24 Cb 0.01 -2.70 -0.14 0.00 -0.00 0.00 0.00 42.46 39.64 1aaf s ILE 24 CO 0.22 -0.18 1.05 0.00 -0.00 0.00 0.00 174.94 176.04 1aaf h ALA 25 N 1.98 0.60 -0.01 2.27 0.00 -1.92 -1.58 119.26 120.60 1aaf h ALA 25 Ca -0.42 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1aaf h ALA 25 Cb 1.25 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1aaf h ALA 25 CO 0.71 1.11 0.01 0.87 0.00 0.00 0.00 179.25 181.96 1aaf h LYS 26 N 0.00 0.00 0.00 0.00 6.56 -1.98 -0.27 116.57 120.88 1aaf h LYS 26 Ca -0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1aaf h LYS 26 Cb 1.70 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.36 1aaf h LYS 26 CO 0.08 0.00 -1.89 0.09 -2.06 0.00 0.00 179.45 175.68 1aaf n ASN 27 N -3.56 0.10 -4.63 0.86 5.03 -0.67 -5.00 115.26 107.39 1aaf n ASN 27 Ca -0.03 -0.03 -0.41 0.00 0.87 0.00 0.00 54.58 54.98 1aaf n ASN 27 Cb 0.09 1.85 -0.05 0.00 -1.02 0.00 0.00 39.78 40.65 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1aaf n ARG 29 N 5.98 3.06 -1.72 0.00 0.63 -1.26 -4.96 116.66 118.38 1aaf n ARG 29 Ca 0.03 -3.80 -0.42 0.00 -0.92 0.00 0.00 57.85 52.74 1aaf n ARG 29 Cb 0.48 -2.27 -0.01 0.00 0.45 0.00 0.00 32.46 31.11 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aaf n ALA 30 N -0.67 1.79 -1.90 5.13 0.00 -1.26 -4.69 120.51 118.90 1aaf n ALA 30 Ca 0.51 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.89 1aaf n ALA 30 Cb 0.60 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.52 3.62 -0.42 0.00 0.04 -1.26 -4.85 135.00 130.60 1aaf s PRO 31 Ca 0.58 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1aaf s PRO 31 Cb -0.54 -4.16 0.21 0.00 0.04 0.00 0.00 34.50 30.05 1aaf s PRO 31 CO 0.59 -1.53 0.50 0.54 0.04 0.00 0.00 177.00 177.14 1aaf n ARG 32 N 8.03 0.50 0.02 4.56 3.00 -1.26 -4.91 116.66 126.60 1aaf n ARG 32 Ca 0.22 -2.99 0.01 0.00 -0.01 0.00 0.00 57.85 55.08 1aaf n ARG 32 Cb 0.45 -1.43 -0.09 0.00 0.00 0.00 0.00 32.46 31.39 1aaf n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1aaf n LYS 33 N 2.09 0.63 -3.63 5.56 5.02 -1.26 -4.98 118.16 121.58 1aaf n LYS 33 Ca 0.23 0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 56.32 1aaf n LYS 33 Cb 0.52 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1aaf n LYS 33 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aaf s ARG 34 N -2.97 4.15 -0.03 1.97 1.81 -1.26 -4.80 118.95 117.82 1aaf s ARG 34 Ca -0.04 -0.02 0.17 0.00 -1.72 0.00 0.00 55.73 54.11 1aaf s ARG 34 Cb 0.09 -3.40 -0.20 0.00 -0.45 0.00 0.00 34.95 30.99 1aaf s ARG 34 CO 0.82 0.32 0.57 0.41 -0.68 0.00 0.00 175.30 176.75 1aaf n GLY 35 N 3.25 -1.09 3.64 -3.53 0.00 0.24 -4.67 105.19 103.03 1aaf n GLY 35 Ca -0.14 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf n TRP 37 N 4.73 1.42 0.02 0.00 7.02 -1.26 -1.56 117.44 127.81 1aaf n TRP 37 Ca -0.12 -0.87 -0.02 0.00 -1.02 0.00 0.00 57.50 55.47 1aaf n TRP 37 Cb 0.51 -0.50 -0.01 0.00 -2.42 0.00 0.00 31.31 28.90 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1aaf n LYS 38 N -0.08 0.06 -0.10 -0.99 3.00 -1.26 -4.88 118.16 113.91 1aaf n LYS 38 Ca 0.25 0.03 -0.20 0.00 -0.00 0.00 0.00 58.31 58.38 1aaf n LYS 38 Cb 0.97 -0.61 -0.12 0.00 0.00 0.00 0.00 35.03 35.27 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 2.04 1.92 3.98 0.00 0.00 -0.60 -5.08 105.19 107.44 1aaf n GLY 40 Ca -0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.42 1.83 -0.08 1.61 2.20 -1.25 -4.63 119.74 119.00 1aaf s LYS 41 Ca 0.00 -0.97 0.14 0.00 -0.36 0.00 0.00 55.97 54.78 1aaf s LYS 41 Cb 0.00 -2.33 -0.20 0.00 -1.51 0.00 0.00 37.83 33.79 1aaf s LYS 41 CO 0.00 -1.34 0.19 -1.91 -0.36 0.00 0.00 175.35 171.93 1aaf n GLU 42 N -2.79 1.07 -0.09 4.03 2.13 -1.26 0.81 120.64 124.54 1aaf n GLU 42 Ca 0.13 -0.07 -0.10 0.00 0.66 0.00 0.00 57.16 57.78 1aaf n GLU 42 Cb 0.60 -1.36 -0.03 0.00 0.27 0.00 0.00 31.44 30.93 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aaf n GLY 43 N 1.89 -0.54 3.95 8.31 0.00 -1.26 -4.47 105.19 113.07 1aaf n GLY 43 Ca -0.12 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aaf n HIS 44 N -4.45 -3.52 -4.52 1.61 1.44 -1.26 -4.94 115.22 99.57 1aaf n HIS 44 Ca -0.15 -1.47 -0.24 0.00 -2.01 0.00 0.00 57.72 53.85 1aaf n HIS 44 Cb 0.53 -0.91 -0.05 0.00 0.12 0.00 0.00 29.99 29.68 1aaf n HIS 44 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1aaf n GLN 45 N -3.44 1.08 0.26 -1.40 1.13 -1.26 -4.01 117.38 109.74 1aaf n GLN 45 Ca 0.17 -2.74 0.10 0.00 -1.94 0.00 0.00 57.00 52.59 1aaf n GLN 45 Cb 0.60 0.71 0.70 0.00 0.11 0.00 0.00 30.24 32.35 1aaf n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aaf h MET 46 N 0.00 0.00 0.00 -1.09 -0.00 -1.98 -1.27 114.93 110.59 1aaf h MET 46 Ca -0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.38 1aaf h MET 46 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.55 1aaf h MET 46 CO 0.51 0.05 -0.04 -0.22 -0.00 0.00 0.00 176.91 177.22 1aaf h LYS 47 N 0.00 0.00 0.00 -0.10 1.63 -2.03 -1.94 116.57 114.12 1aaf h LYS 47 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1aaf h LYS 47 Cb 0.10 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1aaf h LYS 47 CO 0.01 0.04 -0.32 -0.40 -3.45 0.00 0.00 179.45 175.32 1aaf n ASP 48 N -3.56 1.51 -4.70 4.20 5.68 -0.49 -5.07 116.55 114.11 1aaf n ASP 48 Ca -0.02 -2.86 -0.42 0.00 -0.50 0.00 0.00 54.79 50.98 1aaf n ASP 48 Cb 0.14 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.71 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aaf h THR 50 N 4.59 0.00 -1.19 0.00 1.35 -1.91 0.79 112.91 116.54 1aaf h THR 50 Ca -0.41 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 64.89 1aaf h THR 50 Cb 1.20 0.84 -0.21 0.00 -1.73 0.00 0.00 68.15 68.24 1aaf h THR 50 CO 0.89 0.00 0.66 -0.62 -0.25 0.00 0.00 175.52 176.20 1aaf n GLU 51 N -2.84 2.43 -2.89 4.72 1.02 -1.26 -4.79 120.64 117.03 1aaf n GLU 51 Ca -0.03 -2.66 -0.44 0.00 -0.02 0.00 0.00 57.16 54.01 1aaf n GLU 51 Cb 0.08 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.38 1aaf n GLU 51 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1aaf s ARG 52 N -2.71 3.81 -0.42 3.49 3.00 0.27 -4.79 118.95 121.61 1aaf s ARG 52 Ca 0.53 -2.06 0.07 0.00 -1.00 0.00 0.00 55.73 53.27 1aaf s ARG 52 Cb 0.39 -5.04 0.24 0.00 0.00 0.00 0.00 34.95 30.55 1aaf s ARG 52 CO -0.20 -1.82 0.60 0.00 0.00 0.00 0.00 175.30 173.88 1aaf n GLN 53 N 6.44 0.69 -1.36 5.12 10.64 -1.26 -5.10 117.38 132.55 1aaf n GLN 53 Ca 0.31 -2.83 0.18 0.00 -1.83 0.00 0.00 57.00 52.83 1aaf n GLN 53 Cb 0.47 -1.31 -0.05 0.00 -0.86 0.00 0.00 30.24 28.49 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aaf n ALA 54 N 1.59 -3.52 -0.65 2.61 0.00 -1.26 -5.28 120.51 114.01 1aaf n ALA 54 Ca 0.19 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1aaf n ALA 54 Cb 0.55 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59