#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1den h PRO 2 N 0.00 0.47 -7.01 -1.09 0.13 -2.02 -3.43 132.00 119.05 1den h PRO 2 Ca 0.00 -0.17 -0.46 0.00 -0.87 0.00 0.00 66.00 64.50 1den h PRO 2 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 1den h PRO 2 CO 0.00 0.68 0.36 -0.48 -0.23 0.00 0.00 178.00 178.33 1den s LEU 3 N -8.67 4.04 0.76 1.56 -0.00 -1.26 -5.04 118.68 110.07 1den s LEU 3 Ca -0.07 1.81 -0.11 0.00 -0.00 0.00 0.00 54.13 55.76 1den s LEU 3 Cb 0.14 -4.38 0.05 0.00 -0.00 0.00 0.00 46.19 42.00 1den s LEU 3 CO 0.79 -0.38 1.08 -0.13 -0.00 0.00 0.00 176.35 177.71 1den s ARG 4 N -2.85 2.41 0.13 1.48 1.81 -1.18 -5.01 118.95 115.75 1den s ARG 4 Ca 0.60 0.79 0.20 0.00 -1.72 0.00 0.00 55.73 55.59 1den s ARG 4 Cb -0.14 -1.94 -0.07 0.00 -0.45 0.00 0.00 34.95 32.35 1den s ARG 4 CO 0.18 -1.43 0.93 1.63 -0.68 0.00 0.00 175.30 175.94 1den n LYS 5 N -3.33 0.61 0.13 3.54 5.02 -1.26 -3.90 118.16 118.98 1den n LYS 5 Ca 0.07 0.18 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1den n LYS 5 Cb 0.55 -1.82 0.50 0.00 -0.02 0.00 0.00 35.03 34.25 1den n LYS 5 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1den n LEU 6 N -2.79 0.59 0.22 -0.35 -0.00 -1.26 -2.07 117.00 111.35 1den n LEU 6 Ca -0.05 0.69 0.11 0.00 -0.00 0.00 0.00 56.01 56.76 1den n LEU 6 Cb 0.70 -0.66 0.39 0.00 -0.00 0.00 0.00 43.42 43.84 1den n LEU 6 CO 0.41 -0.68 0.81 0.00 -0.00 0.00 0.00 177.39 177.93 1den h ILE 8 N 0.00 0.47 -0.78 0.00 1.08 -1.67 -3.35 117.51 113.25 1den h ILE 8 Ca -0.00 -1.66 0.09 0.00 -0.39 0.00 0.00 64.86 62.90 1den h ILE 8 Cb 0.84 2.23 -0.07 0.00 -3.07 0.00 0.00 36.82 36.75 1den h ILE 8 CO 0.02 0.27 0.43 0.25 -0.69 0.00 0.00 178.15 178.43 1den h LEU 9 N 0.00 0.60 0.00 1.44 7.12 -1.63 -3.49 115.31 119.36 1den h LEU 9 Ca -0.00 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1den h LEU 9 Cb 1.21 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1den h LEU 9 CO 0.04 0.35 0.00 1.41 -0.13 0.00 0.00 178.44 180.10 1den n HIS 10 N -4.78 -1.04 -1.21 1.25 8.25 -1.26 -5.00 115.22 111.43 1den n HIS 10 Ca 0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1den n HIS 10 Cb 0.27 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.47 1den n HIS 10 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1den n ARG 11 N -0.40 0.28 -3.39 -0.41 -4.01 -1.26 -4.52 116.66 102.94 1den n ARG 11 Ca 0.00 0.15 -0.26 0.00 -1.04 0.00 0.00 57.85 56.69 1den n ARG 11 Cb 0.00 -2.03 -0.08 0.00 -3.04 0.00 0.00 32.46 27.31 1den n ARG 11 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1den n ASN 12 N -1.21 2.82 -0.05 2.89 6.94 -1.26 -4.99 115.26 120.41 1den n ASN 12 Ca 0.11 -3.24 -0.08 0.00 -0.02 0.00 0.00 54.58 51.35 1den n ASN 12 Cb 0.50 -0.67 -0.02 0.00 -2.36 0.00 0.00 39.78 37.24 1den n ASN 12 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1den h PRO 13 N 4.22 -0.07 0.00 -0.53 0.13 -1.89 -3.38 132.00 130.48 1den h PRO 13 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1den h PRO 13 Cb 0.72 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1den h PRO 13 CO 0.74 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1den n GLY 14 N -1.27 -2.72 3.53 1.56 0.00 -1.25 -0.94 105.19 104.11 1den n GLY 14 Ca -0.01 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1den n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1den s ARG 15 N -4.57 3.35 0.01 1.61 3.00 -1.25 -1.01 118.95 120.09 1den s ARG 15 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 55.73 54.50 1den s ARG 15 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 34.95 31.01 1den s ARG 15 CO 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 175.30 174.26 1den n TYR 17 N -2.51 0.00 -3.95 0.00 4.11 -1.18 -4.97 117.16 108.66 1den n TYR 17 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 1den n TYR 17 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 1den n TYR 17 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1den s GLN 18 N 0.00 1.98 -0.03 -3.48 2.00 -0.49 -4.96 119.66 114.68 1den s GLN 18 Ca 0.00 -1.51 -0.01 0.00 -2.00 0.00 0.00 55.36 51.84 1den s GLN 18 Cb 0.00 0.53 0.03 0.00 0.80 0.00 0.00 33.01 34.36 1den s GLN 18 CO 0.00 -0.87 0.05 0.21 -0.50 0.00 0.00 175.29 174.18 1den s LYS 19 N -2.97 0.00 -0.46 1.67 2.20 -1.24 -3.50 119.74 115.44 1den s LYS 19 Ca 0.22 0.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 1den s LYS 19 Cb -0.03 -0.18 0.18 0.00 -1.51 0.00 0.00 37.83 36.30 1den s LYS 19 CO 0.14 -0.13 0.54 0.42 -0.36 0.00 0.00 175.35 175.96 1den s ILE 20 N 0.87 -0.39 0.22 5.43 -1.09 -1.20 -5.01 121.20 120.04 1den s ILE 20 Ca -0.07 -1.70 -0.31 0.00 -2.23 0.00 0.00 60.65 56.34 1den s ILE 20 Cb -0.10 -0.58 -0.11 0.00 -1.58 0.00 0.00 42.46 40.09 1den s ILE 20 CO -0.03 -0.57 1.65 -2.16 -1.23 0.00 0.00 174.94 172.60 1den s PRO 21 N 0.56 4.15 0.00 2.79 0.04 -1.26 -3.23 135.00 138.05 1den s PRO 21 Ca 0.30 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1den s PRO 21 Cb 0.01 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1den s PRO 21 CO -0.11 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.25 1den n ALA 22 N 3.42 0.00 -2.86 8.56 0.00 -0.51 -4.94 120.51 124.18 1den n ALA 22 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1den n ALA 22 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.50 0.11 0.08 0.00 0.40 0.30 -0.78 117.98 116.59 1den s PHE 23 Ca 0.00 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1den s PHE 23 Cb 0.00 -0.08 -0.04 0.00 0.51 0.00 0.00 43.02 43.41 1den s PHE 23 CO 0.00 -0.37 0.01 1.52 0.70 0.00 0.00 175.22 177.08 1den s TYR 24 N -2.33 0.61 -0.35 0.36 1.13 0.17 -1.18 117.35 115.77 1den s TYR 24 Ca -0.07 -1.09 -0.29 0.00 -1.41 0.00 0.00 57.07 54.21 1den s TYR 24 Cb -0.02 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1den s TYR 24 CO -0.03 -0.44 1.17 -0.47 -2.51 0.00 0.00 175.55 173.27 1den s TYR 25 N -3.96 2.92 -0.29 -3.49 5.04 -1.26 -0.79 117.35 115.52 1den s TYR 25 Ca 0.12 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.56 1den s TYR 25 Cb 0.08 -3.92 -0.02 0.00 0.35 0.00 0.00 41.96 38.45 1den s TYR 25 CO -0.06 -1.19 0.55 -0.80 -1.34 0.00 0.00 175.55 172.70 1den s ASN 26 N 2.22 6.43 -0.53 4.32 -0.87 -0.61 -4.84 114.94 121.06 1den s ASN 26 Ca 0.50 0.39 -0.05 0.00 -1.57 0.00 0.00 52.86 52.13 1den s ASN 26 Cb -0.13 -2.29 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 1den s ASN 26 CO 0.21 -0.38 2.99 0.00 -2.57 0.00 0.00 177.10 177.35 1den n GLN 27 N 5.67 2.69 0.03 -0.60 6.02 -1.26 -0.91 117.38 129.03 1den n GLN 27 Ca -0.03 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.86 1den n GLN 27 Cb 0.49 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1den n GLN 27 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1den n LYS 28 N 1.67 0.00 -0.08 -1.09 3.00 -1.26 -4.87 118.16 115.53 1den n LYS 28 Ca 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.68 1den n LYS 28 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.58 1den n LYS 28 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1den h LYS 29 N 0.00 0.82 -4.45 1.64 3.64 -1.98 -3.48 116.57 112.76 1den h LYS 29 Ca 0.00 -0.50 -0.16 0.00 -1.27 0.00 0.00 60.65 58.72 1den h LYS 29 Cb 0.00 0.05 0.12 0.00 -0.41 0.00 0.00 32.23 31.99 1den h LYS 29 CO 0.00 1.14 -0.51 1.63 -2.27 0.00 0.00 179.45 179.43 1den n LYS 30 N -4.09 -1.64 0.00 1.90 5.02 -0.09 -5.01 118.16 114.25 1den n LYS 30 Ca -0.04 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1den n LYS 30 Cb 0.59 -4.17 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 1den n LYS 30 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1den n GLN 31 N -2.58 0.00 -2.82 1.97 7.27 -1.23 -5.05 117.38 114.94 1den n GLN 31 Ca -0.06 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.60 1den n GLN 31 Cb 0.58 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.19 1den n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1den s GLU 33 N 0.60 2.44 0.46 0.00 -6.30 0.03 -4.81 118.70 111.11 1den s GLU 33 Ca 0.46 -1.67 -0.03 0.00 -2.50 0.00 0.00 54.97 51.23 1den s GLU 33 Cb -0.21 -2.33 -0.02 0.00 0.00 0.00 0.00 34.13 31.57 1den s GLU 33 CO 0.26 -0.37 0.72 0.20 0.02 0.00 0.00 175.26 176.09 1den s GLY 34 N -4.22 1.49 -0.19 -1.50 0.00 -1.26 -0.65 107.32 100.98 1den s GLY 34 Ca 0.46 -0.73 -0.18 0.00 0.00 0.00 0.00 44.72 44.27 1den s GLY 34 CO 0.27 -0.57 0.51 -0.11 0.00 0.00 0.00 173.10 173.20 1den s PHE 35 N -2.64 -0.57 -0.37 1.90 -0.12 0.04 -4.76 117.98 111.47 1den s PHE 35 Ca 0.47 1.37 -0.20 0.00 -0.05 0.00 0.00 56.93 58.52 1den s PHE 35 Cb -0.10 0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1den s PHE 35 CO 0.41 -0.27 0.63 0.99 -0.05 0.00 0.00 175.22 176.93 1den s THR 36 N 0.30 4.88 -0.24 -4.49 2.01 -1.26 -1.42 115.64 115.42 1den s THR 36 Ca -0.00 0.50 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1den s THR 36 Cb -0.04 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1den s THR 36 CO 0.00 -0.35 1.67 0.86 -0.69 0.00 0.00 174.62 176.11 1den s TRP 37 N 2.72 2.01 -0.80 4.92 -0.00 -1.20 -4.84 118.94 121.75 1den s TRP 37 Ca 0.24 0.53 0.24 0.00 -0.00 0.00 0.00 56.10 57.11 1den s TRP 37 Cb -0.14 -4.03 0.92 0.00 -0.00 0.00 0.00 33.47 30.22 1den s TRP 37 CO 0.15 -3.01 1.73 0.43 -0.00 0.00 0.00 176.95 176.25 1den n SER 38 N 8.85 0.39 0.00 5.86 7.64 -0.70 -3.24 113.62 132.42 1den n SER 38 Ca 0.20 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1den n SER 38 Cb 0.45 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.74 -1.41 3.52 0.23 0.00 -0.12 -1.39 105.19 106.77 1den n GLY 39 Ca 0.05 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1den n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1den s GLY 41 N 8.36 -0.22 -0.27 0.00 0.00 -1.26 -3.88 107.32 110.05 1den s GLY 41 Ca 1.20 1.86 -0.32 0.00 0.00 0.00 0.00 44.72 47.46 1den s GLY 41 CO 0.39 0.62 1.32 -0.32 0.00 0.00 0.00 173.10 175.11 1den s GLY 42 N -2.05 -0.03 0.00 0.20 0.00 -1.26 -4.72 107.32 99.45 1den s GLY 42 Ca 0.11 2.47 0.00 0.00 0.00 0.00 0.00 44.72 47.30 1den s GLY 42 CO -0.03 0.95 0.00 0.70 0.00 0.00 0.00 173.10 174.73 1den n ASN 43 N 0.37 0.00 0.00 1.64 4.13 -1.26 -5.05 115.26 115.09 1den n ASN 43 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1den n ASN 43 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1den n ASN 43 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1den n SER 44 N 0.00 0.00 -0.98 6.41 7.64 -1.26 -4.90 113.62 120.52 1den n SER 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1den n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1den n SER 44 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1den n ASN 45 N -0.13 2.69 -4.50 6.43 5.15 -1.26 -4.73 115.26 118.92 1den n ASN 45 Ca 0.00 -1.83 -0.43 0.00 -0.60 0.00 0.00 54.58 51.71 1den n ASN 45 Cb 0.00 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 1den n ASN 45 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1den s ARG 46 N 0.05 3.24 0.15 1.20 3.52 -1.26 -4.10 118.95 121.76 1den s ARG 46 Ca 0.00 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 1den s ARG 46 Cb 0.00 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 1den s ARG 46 CO 0.00 -1.14 -0.18 -0.06 -0.81 0.00 0.00 175.30 173.11 1den s PHE 47 N 2.94 1.77 -0.11 5.12 0.08 -0.32 -4.95 117.98 122.51 1den s PHE 47 Ca 0.22 -0.47 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1den s PHE 47 Cb -0.15 -0.90 -0.27 0.00 -0.57 0.00 0.00 43.02 41.13 1den s PHE 47 CO 0.17 0.29 0.59 0.87 -0.10 0.00 0.00 175.22 177.04 1den h LYS 48 N 3.40 0.21 -4.93 0.44 1.79 -1.93 0.86 116.57 116.41 1den h LYS 48 Ca -0.42 -0.36 -0.33 0.00 -2.18 0.00 0.00 60.65 57.35 1den h LYS 48 Cb 1.20 0.14 -0.20 0.00 -1.58 0.00 0.00 32.23 31.79 1den h LYS 48 CO 0.49 1.17 -0.74 0.95 -1.08 0.00 0.00 179.45 180.24 1den s THR 49 N -2.44 0.85 0.49 -0.16 -4.23 -1.26 -4.77 115.64 104.12 1den s THR 49 Ca -0.20 -1.37 0.24 0.00 -1.18 0.00 0.00 61.69 59.18 1den s THR 49 Cb 0.03 -1.04 0.29 0.00 1.34 0.00 0.00 72.50 73.12 1den s THR 49 CO 0.75 -0.42 2.12 0.40 -0.54 0.00 0.00 174.62 176.94 1den h ILE 50 N 4.05 0.72 0.00 2.99 2.04 -1.92 -1.69 117.51 123.70 1den h ILE 50 Ca -0.38 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1den h ILE 50 Cb 1.19 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1den h ILE 50 CO 0.46 0.08 -0.02 -0.33 0.00 0.00 0.00 178.15 178.34 1den h GLU 51 N 0.00 0.01 -0.52 2.37 5.08 -1.97 -1.55 114.58 117.99 1den h GLU 51 Ca -0.00 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1den h GLU 51 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1den h GLU 51 CO 0.01 0.91 0.35 0.93 -1.00 0.00 0.00 179.01 180.22 1den h GLU 52 N -0.89 0.33 0.33 2.33 3.07 -1.97 0.30 114.58 118.07 1den h GLU 52 Ca -0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1den h GLU 52 Cb 0.92 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1den h GLU 52 CO 0.00 0.22 -0.16 0.00 -1.40 0.00 0.00 179.01 177.67 1den h ARG 54 N -1.05 0.09 -0.34 0.00 3.08 -0.57 -0.33 114.38 115.26 1den h ARG 54 Ca -0.05 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1den h ARG 54 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1den h ARG 54 CO 0.07 0.06 0.23 0.00 -1.07 0.00 0.00 179.97 179.26 1den h ARG 55 N 0.09 0.18 0.00 0.04 2.47 -0.49 0.37 114.38 117.05 1den h ARG 55 Ca 0.26 -0.01 -0.32 0.00 -1.26 0.00 0.00 59.98 58.65 1den h ARG 55 Cb 0.90 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.12 1den h ARG 55 CO -0.02 0.12 -2.19 2.41 0.56 0.00 0.00 179.97 180.85 1den n THR 56 N -4.48 1.19 0.02 2.04 -1.04 -0.79 -3.71 114.28 107.52 1den n THR 56 Ca 0.04 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 1den n THR 56 Cb 0.27 -1.30 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 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 -2.99 0.00 0.00 0.00 2.08 0.55 -4.82 119.36 114.18 1den n ILE 58 Ca -0.11 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 62.91 1den n ILE 58 Cb 0.92 0.77 0.00 0.00 -0.75 0.00 0.00 39.64 40.58 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 -1.30 0.00 0.00 0.38 0.63 0.99 -4.96 116.66 112.40 1den n ARG 59 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 1den n ARG 59 Cb 0.08 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.05 1den n ARG 59 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75