#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den n PRO 2 N 0.00 0.79 -1.42 -1.09 -0.02 -1.26 -4.14 135.00 127.86 1den n PRO 2 Ca 0.00 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 1den n PRO 2 Cb 0.00 -2.03 0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1den n PRO 2 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1den s LEU 3 N 5.11 3.30 0.01 2.45 2.34 -1.26 -4.87 118.68 125.77 1den s LEU 3 Ca 1.07 2.35 -0.06 0.00 0.06 0.00 0.00 54.13 57.54 1den s LEU 3 Cb -1.14 -4.59 -0.00 0.00 -0.56 0.00 0.00 46.19 39.90 1den s LEU 3 CO 0.63 -2.28 0.11 0.00 -1.06 0.00 0.00 176.35 173.75 1den s ARG 4 N -3.94 0.50 0.02 1.48 1.70 -1.26 -5.05 118.95 112.40 1den s ARG 4 Ca 0.74 -0.52 0.10 0.00 -0.47 0.00 0.00 55.73 55.58 1den s ARG 4 Cb -0.29 0.20 0.44 0.00 -0.57 0.00 0.00 34.95 34.73 1den s ARG 4 CO 0.46 -0.12 1.33 0.36 -1.08 0.00 0.00 175.30 176.24 1den n LYS 5 N 1.27 0.01 0.24 3.89 2.85 -1.26 -2.49 118.16 122.67 1den n LYS 5 Ca -0.22 0.35 0.07 0.00 -1.05 0.00 0.00 58.31 57.46 1den n LYS 5 Cb 0.56 -1.53 0.58 0.00 -0.65 0.00 0.00 35.03 34.00 1den n LYS 5 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1den h LEU 6 N 0.00 0.01 -3.70 -5.58 5.85 -2.00 -1.72 115.31 108.17 1den h LEU 6 Ca 0.00 -0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 1den h LEU 6 Cb 0.17 -0.00 -0.25 0.00 0.37 0.00 0.00 40.66 40.94 1den h LEU 6 CO 0.00 0.08 0.59 0.00 -0.34 0.00 0.00 178.44 178.77 1den n ILE 8 N -0.79 0.00 1.67 0.00 2.08 -0.66 -4.86 119.36 116.80 1den n ILE 8 Ca 0.51 -0.05 0.05 0.00 0.56 0.00 0.00 62.75 63.81 1den n ILE 8 Cb 1.29 0.76 0.32 0.00 -0.75 0.00 0.00 39.64 41.26 1den n ILE 8 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1den n LEU 9 N -0.17 0.00 -0.65 1.39 4.77 -1.15 -5.01 117.00 116.19 1den n LEU 9 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1den n LEU 9 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1den n LEU 9 CO 0.00 0.00 -0.28 1.57 -1.33 0.00 0.00 177.39 177.35 1den n HIS 10 N -0.70 -1.75 -1.00 -1.77 -0.00 -1.26 -4.95 115.22 103.79 1den n HIS 10 Ca 0.08 0.96 -0.31 0.00 -0.00 0.00 0.00 57.72 58.46 1den n HIS 10 Cb 0.04 -1.61 0.13 0.00 -0.00 0.00 0.00 29.99 28.54 1den n HIS 10 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1den s ARG 11 N -3.75 1.67 -0.41 1.57 3.03 -1.26 -4.66 118.95 115.13 1den s ARG 11 Ca 0.00 1.34 0.05 0.00 2.03 0.00 0.00 55.73 59.15 1den s ARG 11 Cb 0.00 -1.82 0.17 0.00 -1.03 0.00 0.00 34.95 32.27 1den s ARG 11 CO 0.00 -2.11 0.52 0.54 -1.13 0.00 0.00 175.30 173.11 1den s ASN 12 N -3.06 -0.15 0.08 -2.89 4.22 -1.26 -5.01 114.94 106.87 1den s ASN 12 Ca 0.64 -1.47 -0.25 0.00 -2.14 0.00 0.00 52.86 49.64 1den s ASN 12 Cb -0.20 1.17 -0.16 0.00 1.28 0.00 0.00 41.25 43.34 1den s ASN 12 CO 0.57 -0.19 1.67 1.55 -2.04 0.00 0.00 177.10 178.66 1den h PRO 13 N 6.57 -0.13 0.00 3.55 0.13 -1.94 -3.44 132.00 136.75 1den h PRO 13 Ca 0.07 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1den h PRO 13 Cb 1.09 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1den h PRO 13 CO 0.15 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1den n GLY 14 N -1.01 -2.56 3.49 1.56 0.00 -1.26 -0.51 105.19 104.90 1den n GLY 14 Ca -0.08 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1den n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1den s ARG 15 N -3.82 3.22 0.00 1.61 0.52 -1.26 -2.83 118.95 116.39 1den s ARG 15 Ca 0.00 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1den s ARG 15 Cb 0.00 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.43 1den s ARG 15 CO 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 175.30 174.12 1den n TYR 17 N -2.21 0.00 -0.52 0.00 4.02 -1.24 -5.00 117.16 112.21 1den n TYR 17 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 1den n TYR 17 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.46 1den n TYR 17 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1den n GLN 18 N 0.00 -2.69 -3.64 -0.72 -0.06 -1.25 -4.95 117.38 104.08 1den n GLN 18 Ca 0.00 -0.85 -0.07 0.00 -2.00 0.00 0.00 57.00 54.07 1den n GLN 18 Cb 0.00 -0.91 -0.07 0.00 -4.06 0.00 0.00 30.24 25.20 1den n GLN 18 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1den s LYS 19 N -4.21 0.70 -0.44 3.69 2.47 -1.26 -4.36 119.74 116.33 1den s LYS 19 Ca 0.36 1.20 0.07 0.00 -1.56 0.00 0.00 55.97 56.04 1den s LYS 19 Cb -0.05 0.15 0.24 0.00 -1.46 0.00 0.00 37.83 36.72 1den s LYS 19 CO 0.29 -0.15 0.72 -0.89 0.16 0.00 0.00 175.35 175.48 1den n ILE 20 N 4.22 -0.32 -2.14 5.43 2.08 0.16 -4.96 119.36 123.82 1den n ILE 20 Ca -0.20 -2.64 -0.41 0.00 0.56 0.00 0.00 62.75 60.06 1den n ILE 20 Cb 0.59 -0.08 -0.03 0.00 -0.75 0.00 0.00 39.64 39.37 1den n ILE 20 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1den s PRO 21 N -0.15 4.34 0.00 0.38 0.05 -1.26 -3.00 135.00 135.35 1den s PRO 21 Ca 0.33 2.14 0.00 0.00 0.05 0.00 0.00 61.00 63.52 1den s PRO 21 Cb 0.20 -3.17 0.00 0.00 0.05 0.00 0.00 34.50 31.58 1den s PRO 21 CO -0.19 -0.33 0.00 0.00 0.05 0.00 0.00 177.00 176.53 1den n ALA 22 N 2.73 0.00 -2.18 8.56 0.00 -0.56 -4.93 120.51 124.14 1den n ALA 22 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1den n ALA 22 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1den n ALA 22 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1den s PHE 23 N 0.18 0.96 -0.08 0.00 0.40 0.24 -0.86 117.98 118.83 1den s PHE 23 Ca 0.00 -1.05 -0.12 0.00 -0.60 0.00 0.00 56.93 55.16 1den s PHE 23 Cb 0.00 -0.56 0.03 0.00 0.51 0.00 0.00 43.02 43.00 1den s PHE 23 CO 0.00 -0.29 0.30 -0.47 0.70 0.00 0.00 175.22 175.46 1den s TYR 24 N -3.78 -0.28 -0.46 0.36 6.14 0.02 -0.98 117.35 118.38 1den s TYR 24 Ca 0.19 0.62 -0.29 0.00 0.64 0.00 0.00 57.07 58.23 1den s TYR 24 Cb 0.06 0.10 0.02 0.00 0.42 0.00 0.00 41.96 42.57 1den s TYR 24 CO -0.00 -0.24 1.25 -0.47 0.64 0.00 0.00 175.55 176.72 1den s TYR 25 N -0.37 2.65 -0.34 4.97 5.04 -1.26 -0.73 117.35 127.30 1den s TYR 25 Ca -0.05 0.69 -0.29 0.00 -2.44 0.00 0.00 57.07 54.98 1den s TYR 25 Cb -0.03 -4.40 0.02 0.00 0.35 0.00 0.00 41.96 37.89 1den s TYR 25 CO 0.02 -1.56 1.13 -0.80 -1.34 0.00 0.00 175.55 173.00 1den s ASN 26 N 3.05 6.84 -0.07 4.32 -0.87 -0.47 -4.89 114.94 122.84 1den s ASN 26 Ca 0.53 0.98 -0.03 0.00 -1.57 0.00 0.00 52.86 52.77 1den s ASN 26 Cb -0.09 -2.54 -0.08 0.00 -0.02 0.00 0.00 41.25 38.52 1den s ASN 26 CO 0.32 -0.98 2.69 0.00 -2.57 0.00 0.00 177.10 176.56 1den n GLN 27 N 7.12 1.58 0.00 -0.60 6.02 -1.26 -2.42 117.38 127.81 1den n GLN 27 Ca 0.12 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 1den n GLN 27 Cb 0.47 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1den n GLN 27 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1den n LYS 28 N 1.71 0.15 0.00 -1.09 2.85 -1.26 -5.01 118.16 115.51 1den n LYS 28 Ca 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1den n LYS 28 Cb 0.67 -0.64 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 1den n LYS 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1den n LYS 29 N -1.65 0.00 0.00 -1.58 3.00 -1.02 -5.10 118.16 111.82 1den n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1den n LYS 29 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1den n LYS 29 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1den n LYS 30 N 0.00 0.00 -3.78 1.64 2.85 -1.15 -5.05 118.16 112.67 1den n LYS 30 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1den n LYS 30 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1den n LYS 30 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1den s GLN 31 N 0.00 1.44 -0.58 -1.58 0.74 -1.26 -5.01 119.66 113.41 1den s GLN 31 Ca 0.00 -0.78 -0.28 0.00 0.05 0.00 0.00 55.36 54.34 1den s GLN 31 Cb 0.00 0.50 0.03 0.00 1.10 0.00 0.00 33.01 34.64 1den s GLN 31 CO 0.00 -0.66 1.20 0.00 -0.55 0.00 0.00 175.29 175.28 1den s GLU 33 N 4.99 3.89 0.40 0.00 2.02 0.09 -4.77 118.70 125.31 1den s GLU 33 Ca 0.43 0.37 -0.26 0.00 0.02 0.00 0.00 54.97 55.54 1den s GLU 33 Cb -0.08 -2.86 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 1den s GLU 33 CO 0.25 0.44 1.20 0.20 0.02 0.00 0.00 175.26 177.38 1den s GLY 34 N -1.92 2.89 -0.05 -1.39 0.00 -1.26 -0.80 107.32 104.78 1den s GLY 34 Ca 0.40 1.03 -0.07 0.00 0.00 0.00 0.00 44.72 46.08 1den s GLY 34 CO 0.20 1.57 0.18 -0.11 0.00 0.00 0.00 173.10 174.94 1den s PHE 35 N -1.37 -0.14 -0.33 1.90 -0.71 -0.04 -4.80 117.98 112.51 1den s PHE 35 Ca 0.57 0.33 -0.17 0.00 -1.04 0.00 0.00 56.93 56.61 1den s PHE 35 Cb -0.33 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1den s PHE 35 CO 0.41 -0.16 0.49 0.99 -1.34 0.00 0.00 175.22 175.61 1den s THR 36 N -0.36 5.05 -0.04 -4.49 2.01 -1.26 -1.49 115.64 115.06 1den s THR 36 Ca -0.05 0.44 -0.15 0.00 0.31 0.00 0.00 61.69 62.24 1den s THR 36 Cb -0.03 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1den s THR 36 CO 0.01 -0.11 0.40 0.86 -0.69 0.00 0.00 174.62 175.09 1den s TRP 37 N 2.32 3.65 -0.36 4.92 -0.00 -1.16 -4.79 118.94 123.51 1den s TRP 37 Ca 0.18 0.92 0.14 0.00 -0.00 0.00 0.00 56.10 57.34 1den s TRP 37 Cb -0.16 -2.34 0.42 0.00 -0.00 0.00 0.00 33.47 31.40 1den s TRP 37 CO 0.12 0.50 1.08 0.43 -0.00 0.00 0.00 176.95 179.09 1den n SER 38 N 2.40 0.05 0.00 5.86 7.64 -1.07 -0.66 113.62 127.83 1den n SER 38 Ca -0.12 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1den n SER 38 Cb 0.52 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1den n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1den n GLY 39 N -0.20 3.85 2.69 0.23 0.00 0.34 -3.52 105.19 108.58 1den n GLY 39 Ca 0.06 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1den n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1den n GLY 41 N -0.35 -2.08 0.05 0.00 0.00 -1.26 -4.93 105.19 96.62 1den n GLY 41 Ca 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 1den n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1den h GLY 42 N -0.82 0.00 0.00 -0.02 0.00 -1.97 -3.49 103.07 96.77 1den h GLY 42 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1den h GLY 42 CO 0.07 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.31 1den n ASN 43 N -4.16 0.00 0.00 0.19 5.03 -1.26 -5.11 115.26 109.95 1den n ASN 43 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1den n ASN 43 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1den n ASN 43 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1den n SER 44 N 0.00 0.00 -2.05 6.41 2.88 -1.26 -4.96 113.62 114.65 1den n SER 44 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1den n SER 44 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1den n ASN 45 N -0.20 -3.43 -4.70 -3.46 4.05 -1.23 -4.35 115.26 101.93 1den n ASN 45 Ca 0.00 0.24 -0.38 0.00 0.45 0.00 0.00 54.58 54.89 1den n ASN 45 Cb 0.00 -3.04 -0.06 0.00 1.23 0.00 0.00 39.78 37.90 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1den s ARG 46 N -4.29 4.29 -0.05 1.20 3.00 -1.26 -4.21 118.95 117.63 1den s ARG 46 Ca 0.00 0.43 -0.04 0.00 -1.00 0.00 0.00 55.73 55.12 1den s ARG 46 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 34.95 31.49 1den s ARG 46 CO 0.00 0.06 0.13 -0.06 0.00 0.00 0.00 175.30 175.43 1den s PHE 47 N 0.93 -0.14 -0.00 5.12 0.08 -0.15 -4.99 117.98 118.84 1den s PHE 47 Ca 0.25 0.37 -0.23 0.00 0.12 0.00 0.00 56.93 57.45 1den s PHE 47 Cb -0.15 0.00 -0.18 0.00 -0.57 0.00 0.00 43.02 42.12 1den s PHE 47 CO 0.10 -0.10 1.23 0.87 -0.10 0.00 0.00 175.22 177.22 1den h LYS 48 N 6.35 0.24 -6.07 0.44 1.57 -1.95 0.71 116.57 117.85 1den h LYS 48 Ca -0.31 -0.16 -0.55 0.00 -1.87 0.00 0.00 60.65 57.77 1den h LYS 48 Cb 1.18 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 1den h LYS 48 CO 0.43 0.76 -0.79 0.95 -0.57 0.00 0.00 179.45 180.23 1den s THR 49 N -3.91 1.93 0.39 -0.16 -4.23 -1.26 -4.68 115.64 103.72 1den s THR 49 Ca -0.15 -1.94 0.23 0.00 -1.18 0.00 0.00 61.69 58.65 1den s THR 49 Cb 0.03 -1.90 0.24 0.00 1.34 0.00 0.00 72.50 72.21 1den s THR 49 CO 0.74 -0.27 2.01 0.40 -0.54 0.00 0.00 174.62 176.95 1den h ILE 50 N 3.24 0.75 0.14 2.99 2.04 -1.89 -1.74 117.51 123.04 1den h ILE 50 Ca -0.43 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1den h ILE 50 Cb 1.21 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1den h ILE 50 CO 0.50 0.17 -0.07 -0.33 0.00 0.00 0.00 178.15 178.43 1den h GLU 51 N 0.00 -0.18 -0.92 2.37 5.08 -1.97 -1.67 114.58 117.30 1den h GLU 51 Ca -0.00 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.59 1den h GLU 51 Cb 0.41 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1den h GLU 51 CO 0.02 0.22 0.61 0.93 -1.00 0.00 0.00 179.01 179.80 1den h GLU 52 N -0.94 0.32 0.42 2.33 3.07 -1.98 0.32 114.58 118.12 1den h GLU 52 Ca -0.02 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1den h GLU 52 Cb 0.48 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1den h GLU 52 CO 0.03 0.21 -0.20 0.00 -1.40 0.00 0.00 179.01 177.65 1den h ARG 54 N -1.00 0.00 -0.74 0.00 3.08 -0.24 -0.14 114.38 115.33 1den h ARG 54 Ca -0.06 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1den h ARG 54 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1den h ARG 54 CO 0.09 0.00 0.49 0.00 -1.07 0.00 0.00 179.97 179.49 1den h ARG 55 N 0.00 0.54 0.00 0.04 3.08 -0.48 0.95 114.38 118.52 1den h ARG 55 Ca 0.02 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 1den h ARG 55 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1den h ARG 55 CO -0.00 0.36 -1.67 2.41 -1.07 0.00 0.00 179.97 180.00 1den n THR 56 N -4.50 0.66 -0.18 2.04 -1.04 -0.97 -3.09 114.28 107.21 1den n THR 56 Ca 0.13 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1den n THR 56 Cb 0.41 -1.39 0.01 0.00 -1.82 0.00 0.00 70.33 67.54 1den n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1den n ILE 58 N -4.17 0.00 -2.81 0.00 2.08 -0.66 -5.00 119.36 108.80 1den n ILE 58 Ca 0.01 -0.25 -0.11 0.00 0.56 0.00 0.00 62.75 62.96 1den n ILE 58 Cb 0.40 0.57 0.05 0.00 -0.75 0.00 0.00 39.64 39.92 1den n ILE 58 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1den n ARG 59 N -1.66 -2.49 0.00 0.38 0.00 0.22 -4.98 116.66 108.13 1den n ARG 59 Ca -0.00 0.61 0.16 0.00 -0.00 0.00 0.00 57.85 58.61 1den n ARG 59 Cb 0.28 -4.65 0.89 0.00 0.00 0.00 0.00 32.46 28.99 1den n ARG 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80