#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam n ILE 4 N 0.00 0.00 -3.66 -0.61 -5.35 -1.26 -4.84 119.36 103.64 2qam n ILE 4 Ca 0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.09 2qam n ILE 4 Cb 0.00 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 2qam n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qam s ARG 5 N -0.62 2.38 0.51 6.28 1.81 -1.26 -4.45 118.95 123.59 2qam s ARG 5 Ca 0.00 -1.64 -0.19 0.00 -1.72 0.00 0.00 55.73 52.18 2qam s ARG 5 Cb 0.00 -3.72 -0.08 0.00 -0.45 0.00 0.00 34.95 30.70 2qam s ARG 5 CO 0.00 -1.03 1.05 -1.21 -0.68 0.00 0.00 175.30 173.42 2qam s GLU 6 N 1.31 3.69 -0.50 3.54 8.01 -0.88 -4.78 118.70 129.09 2qam s GLU 6 Ca 0.05 1.35 -0.28 0.00 0.01 0.00 0.00 54.97 56.10 2qam s GLU 6 Cb -0.24 -2.08 0.03 0.00 -4.31 0.00 0.00 34.13 27.54 2qam s GLU 6 CO -0.01 -0.52 1.10 0.15 0.01 0.00 0.00 175.26 175.99 2qam s LYS 7 N -3.37 3.62 0.22 1.61 1.02 -1.26 -1.61 119.74 119.97 2qam s LYS 7 Ca 0.67 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.92 2qam s LYS 7 Cb -0.17 -3.94 -0.07 0.00 -0.52 0.00 0.00 37.83 33.13 2qam s LYS 7 CO 0.23 -1.43 0.56 0.42 -0.92 0.00 0.00 175.35 174.22 2qam s ILE 8 N 4.42 4.89 -0.14 2.17 -1.09 0.33 -4.91 121.20 126.87 2qam s ILE 8 Ca 0.44 0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 59.46 2qam s ILE 8 Cb -0.08 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2qam s ILE 8 CO 0.29 -0.00 -0.10 -1.59 -1.23 0.00 0.00 174.94 172.31 2qam s LYS 9 N -2.61 1.86 0.07 2.79 0.00 -1.26 -0.06 119.74 120.52 2qam s LYS 9 Ca 0.45 -0.43 -0.22 0.00 0.00 0.00 0.00 55.97 55.78 2qam s LYS 9 Cb -0.12 -1.88 -0.06 0.00 0.00 0.00 0.00 37.83 35.77 2qam s LYS 9 CO 0.20 -0.28 0.64 -0.51 0.00 0.00 0.00 175.35 175.41 2qam s LEU 10 N 1.60 4.50 0.12 2.77 1.02 -0.99 -4.46 118.68 123.24 2qam s LEU 10 Ca 0.04 1.34 0.09 0.00 0.02 0.00 0.00 54.13 55.63 2qam s LEU 10 Cb -0.13 -3.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 2qam s LEU 10 CO -0.09 0.18 -0.20 -0.69 0.02 0.00 0.00 176.35 175.57 2qam s VAL 11 N -0.75 2.72 0.30 -1.59 1.01 -0.05 -0.56 120.40 121.47 2qam s VAL 11 Ca 0.32 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.46 2qam s VAL 11 Cb -0.20 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 2qam s VAL 11 CO 0.21 0.09 1.00 -0.55 0.00 0.00 0.00 175.10 175.85 2qam s SER 12 N -2.14 7.32 0.42 3.32 0.15 -1.20 -0.21 113.70 121.35 2qam s SER 12 Ca 0.17 2.01 0.28 0.00 0.70 0.00 0.00 55.95 59.11 2qam s SER 12 Cb -0.10 -2.60 0.95 0.00 -1.71 0.00 0.00 66.02 62.55 2qam s SER 12 CO 0.09 -0.09 1.81 0.77 1.20 0.00 0.00 173.24 177.02 2qam h SER 13 N 3.51 0.00 -4.19 5.45 4.64 -1.49 -3.45 113.55 118.02 2qam h SER 13 Ca -0.46 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.35 2qam h SER 13 Cb 1.20 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.44 2qam h SER 13 CO 0.66 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.89 2qam s ALA 14 N -3.40 1.82 -2.00 5.18 0.00 -1.26 -4.88 121.76 117.22 2qam s ALA 14 Ca 0.05 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.27 2qam s ALA 14 Cb 0.08 -3.27 0.49 0.00 0.00 0.00 0.00 23.12 20.43 2qam s ALA 14 CO 0.55 -2.16 0.94 0.41 0.00 0.00 0.00 175.76 175.51 2qam n GLY 15 N -0.94 -0.49 3.90 0.00 0.00 -1.26 -4.78 105.19 101.62 2qam n GLY 15 Ca 0.08 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2qam n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qam s THR 16 N -2.00 4.69 -2.13 2.61 -1.32 -1.26 -5.00 115.64 111.23 2qam s THR 16 Ca 0.12 0.26 0.27 0.00 -1.21 0.00 0.00 61.69 61.14 2qam s THR 16 Cb 0.06 -3.80 0.37 0.00 -1.51 0.00 0.00 72.50 67.61 2qam s THR 16 CO 0.10 -0.83 1.60 0.61 -2.21 0.00 0.00 174.62 173.89 2qam n GLY 17 N -2.38 -0.26 3.66 6.08 0.00 -1.26 -4.75 105.19 106.29 2qam n GLY 17 Ca 0.02 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2qam n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qam n HIS 18 N -0.20 1.32 -3.79 1.61 -0.00 -1.26 -4.92 115.22 107.98 2qam n HIS 18 Ca 0.15 0.43 -0.07 0.00 -0.00 0.00 0.00 57.72 58.23 2qam n HIS 18 Cb 0.37 -2.20 -0.02 0.00 -0.00 0.00 0.00 29.99 28.14 2qam n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2qam s PHE 19 N -1.45 -0.23 0.42 1.57 -0.71 -1.26 -3.27 117.98 113.04 2qam s PHE 19 Ca 0.78 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 56.51 2qam s PHE 19 Cb -0.40 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.11 2qam s PHE 19 CO 0.45 -1.14 0.16 0.66 -1.34 0.00 0.00 175.22 174.00 2qam n TYR 20 N -0.45 0.09 -3.67 3.49 4.01 0.27 -4.99 117.16 115.91 2qam n TYR 20 Ca -0.06 -1.92 -0.15 0.00 -0.16 0.00 0.00 57.90 55.61 2qam n TYR 20 Cb 0.60 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2qam n TYR 20 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qam s THR 21 N -2.31 0.02 0.00 -0.72 -1.32 -1.26 -2.36 115.64 107.69 2qam s THR 21 Ca 0.12 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2qam s THR 21 Cb -0.01 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 2qam s THR 21 CO 0.08 -0.10 0.00 1.07 -2.21 0.00 0.00 174.62 173.45 2qam n THR 22 N 1.65 0.00 -4.25 5.08 5.66 0.91 -4.95 114.28 118.38 2qam n THR 22 Ca -0.18 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.68 2qam n THR 22 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 2qam n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qam s THR 23 N -1.96 0.41 0.09 1.09 -4.23 -1.26 0.12 115.64 109.90 2qam s THR 23 Ca 0.00 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 2qam s THR 23 Cb 0.00 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.47 2qam s THR 23 CO 0.00 -0.18 0.42 -0.75 -0.54 0.00 0.00 174.62 173.57 2qam s LYS 24 N -4.03 1.01 -1.06 3.99 2.20 -0.63 -4.72 119.74 116.51 2qam s LYS 24 Ca 0.33 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2qam s LYS 24 Cb 0.07 0.45 0.31 0.00 -1.51 0.00 0.00 37.83 37.15 2qam s LYS 24 CO 0.09 -0.38 1.67 -1.71 -0.36 0.00 0.00 175.35 174.66 2qam n ASN 25 N 0.11 6.91 -0.55 1.43 2.85 -1.26 -2.08 115.26 122.68 2qam n ASN 25 Ca -0.17 -3.55 0.45 0.00 -0.11 0.00 0.00 54.58 51.19 2qam n ASN 25 Cb 0.62 -1.22 0.73 0.00 1.24 0.00 0.00 39.78 41.15 2qam n ASN 25 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2qam n LYS 26 N 0.63 -0.03 -0.28 1.20 3.00 -1.26 0.27 118.16 121.70 2qam n LYS 26 Ca 0.37 1.21 0.29 0.00 -0.00 0.00 0.00 58.31 60.18 2qam n LYS 26 Cb 0.29 -2.50 0.66 0.00 0.00 0.00 0.00 35.03 33.49 2qam n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qam h ARG 27 N 0.00 0.13 0.00 1.64 3.08 -1.88 -2.77 114.38 114.58 2qam h ARG 27 Ca 0.91 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.95 2qam h ARG 27 Cb 3.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 33.17 2qam h ARG 27 CO -0.33 0.09 0.00 0.25 -1.07 0.00 0.00 179.97 178.91 2qam n THR 28 N -4.35 0.00 -2.85 2.04 -2.24 0.14 -4.85 114.28 102.17 2qam n THR 28 Ca 0.23 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 2qam n THR 28 Cb 1.03 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 70.39 2qam n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qam n LYS 29 N -0.38 2.43 0.00 -0.78 4.76 -0.16 -4.91 118.16 119.13 2qam n LYS 29 Ca 0.00 -4.19 0.00 0.00 -2.87 0.00 0.00 58.31 51.25 2qam n LYS 29 Cb 0.04 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 2qam n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qam n PRO 30 N -0.15 0.15 -3.40 1.97 -0.02 -1.14 -4.49 135.00 127.92 2qam n PRO 30 Ca 0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2qam n PRO 30 Cb 0.58 -1.01 -0.09 0.00 -0.02 0.00 0.00 33.50 32.95 2qam n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qam s GLU 31 N -1.81 3.21 -0.06 -0.52 1.03 -1.25 -4.94 118.70 114.35 2qam s GLU 31 Ca 0.00 -0.74 -0.38 0.00 0.03 0.00 0.00 54.97 53.88 2qam s GLU 31 Cb 0.00 -3.92 -0.16 0.00 -0.80 0.00 0.00 34.13 29.25 2qam s GLU 31 CO 0.00 -0.71 1.49 1.63 -1.33 0.00 0.00 175.26 176.34 2qam n LYS 32 N 5.39 1.10 -3.26 -4.83 5.02 -1.26 -4.81 118.16 115.51 2qam n LYS 32 Ca -0.09 0.40 -0.34 0.00 -2.02 0.00 0.00 58.31 56.26 2qam n LYS 32 Cb 0.48 -2.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 2qam n LYS 32 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qam s LEU 33 N 1.68 4.23 0.00 -0.35 2.96 -1.21 -4.79 118.68 121.20 2qam s LEU 33 Ca 0.90 1.17 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 2qam s LEU 33 Cb -1.02 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.06 2qam s LEU 33 CO 0.55 -0.03 0.23 -1.83 -1.32 0.00 0.00 176.35 173.96 2qam s GLU 34 N -2.40 0.62 0.00 1.98 -1.05 -1.26 -3.15 118.70 113.44 2qam s GLU 34 Ca 0.45 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 2qam s GLU 34 Cb -0.13 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2qam s GLU 34 CO 0.20 -0.17 0.00 1.47 0.95 0.00 0.00 175.26 177.71 2qam n LEU 35 N 1.21 0.00 -0.93 1.83 -0.00 -1.07 -5.00 117.00 113.05 2qam n LEU 35 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 2qam n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qam n LEU 35 CO 0.22 0.15 -0.22 0.29 -0.00 0.00 0.00 177.39 177.83 2qam n LYS 36 N 0.00 -2.47 -4.03 1.47 5.02 -1.26 -4.89 118.16 112.01 2qam n LYS 36 Ca 0.00 1.82 -0.14 0.00 -2.02 0.00 0.00 58.31 57.97 2qam n LYS 36 Cb 0.15 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.19 2qam n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qam s LYS 37 N -2.93 2.02 0.08 1.97 1.02 0.08 -4.83 119.74 117.15 2qam s LYS 37 Ca 0.00 -1.72 -0.27 0.00 0.02 0.00 0.00 55.97 53.99 2qam s LYS 37 Cb 0.00 0.49 -0.06 0.00 -0.52 0.00 0.00 37.83 37.74 2qam s LYS 37 CO 0.00 -0.87 0.86 0.12 -0.92 0.00 0.00 175.35 174.54 2qam s PHE 38 N -2.81 3.78 -0.56 3.18 5.36 -1.26 -1.28 117.98 124.39 2qam s PHE 38 Ca 0.28 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 57.84 2qam s PHE 38 Cb -0.02 -2.93 0.15 0.00 -0.34 0.00 0.00 43.02 39.88 2qam s PHE 38 CO 0.19 0.25 0.37 0.34 -1.46 0.00 0.00 175.22 174.92 2qam s ASP 39 N -0.06 5.31 0.28 6.13 -1.08 -1.15 -4.94 116.67 121.17 2qam s ASP 39 Ca 0.42 -2.55 -0.01 0.00 -0.52 0.00 0.00 52.55 49.90 2qam s ASP 39 Cb -0.22 -1.87 0.65 0.00 -1.46 0.00 0.00 42.92 40.03 2qam s ASP 39 CO 0.26 -0.45 1.61 -0.65 0.52 0.00 0.00 175.17 176.47 2qam h PRO 40 N 7.44 0.10 0.22 4.34 0.11 -1.95 0.99 132.00 143.25 2qam h PRO 40 Ca -0.06 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.06 2qam h PRO 40 Cb 0.99 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2qam h PRO 40 CO 0.72 0.06 -0.36 0.28 -0.21 0.00 0.00 178.00 178.49 2qam h VAL 41 N 0.10 0.25 -0.00 3.15 2.07 -1.97 -1.96 116.25 117.90 2qam h VAL 41 Ca 0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.05 2qam h VAL 41 Cb 1.06 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2qam h VAL 41 CO -0.76 0.00 -0.10 0.52 0.02 0.00 0.00 177.57 177.25 2qam n VAL 42 N -5.45 0.00 -3.85 2.57 0.31 -0.72 -4.92 118.33 106.27 2qam n VAL 42 Ca -0.08 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 63.95 2qam n VAL 42 Cb 0.36 -0.32 0.03 0.00 -0.91 0.00 0.00 33.84 33.00 2qam n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qam n ARG 43 N -1.39 -5.56 -3.69 5.55 1.74 0.33 -4.97 116.66 108.68 2qam n ARG 43 Ca 0.09 0.61 -0.12 0.00 -0.77 0.00 0.00 57.85 57.66 2qam n ARG 43 Cb 0.31 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 26.15 2qam n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qam s GLN 44 N -6.56 0.58 0.03 5.56 -1.52 -1.14 -4.97 119.66 111.64 2qam s GLN 44 Ca 0.65 0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 54.54 2qam s GLN 44 Cb -0.32 0.22 -0.08 0.00 -0.22 0.00 0.00 33.01 32.61 2qam s GLN 44 CO 0.80 -0.10 1.76 -1.01 -0.25 0.00 0.00 175.29 176.49 2qam s HIS 45 N 0.63 1.95 0.14 0.91 3.76 -1.26 -2.92 115.29 118.49 2qam s HIS 45 Ca -0.03 0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.94 2qam s HIS 45 Cb -0.05 -4.05 -0.01 0.00 1.11 0.00 0.00 32.58 29.59 2qam s HIS 45 CO -0.04 -4.43 0.08 1.55 -0.85 0.00 0.00 174.74 171.05 2qam n VAL 46 N 5.18 0.00 -3.13 -0.90 3.14 -0.41 -4.94 118.33 117.27 2qam n VAL 46 Ca 0.18 -0.90 -0.39 0.00 -2.96 0.00 0.00 64.34 60.26 2qam n VAL 46 Cb 0.41 0.39 -0.05 0.00 -1.06 0.00 0.00 33.84 33.53 2qam n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qam s ILE 47 N -2.33 4.97 -0.12 1.55 1.09 -1.26 -0.74 121.20 124.35 2qam s ILE 47 Ca 0.12 1.33 -0.00 0.00 -1.10 0.00 0.00 60.65 61.00 2qam s ILE 47 Cb 0.01 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.41 2qam s ILE 47 CO 0.08 0.34 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.83 2qam s TYR 48 N 0.29 2.83 0.00 3.97 2.02 -1.26 -1.13 117.35 124.08 2qam s TYR 48 Ca 0.34 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2qam s TYR 48 Cb -0.18 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2qam s TYR 48 CO 0.17 -0.13 0.00 1.17 -1.57 0.00 0.00 175.55 175.19 2qam n LYS 49 N 3.35 3.67 -2.15 -0.62 3.00 0.71 -2.58 118.16 123.54 2qam n LYS 49 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2qam n LYS 49 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2qam n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qam n GLU 50 N -0.01 -4.46 -2.67 1.64 4.07 -1.19 -0.88 120.64 117.14 2qam n GLU 50 Ca 0.00 3.31 -0.05 0.00 -0.06 0.00 0.00 57.16 60.36 2qam n GLU 50 Cb 0.00 -4.11 0.04 0.00 -0.06 0.00 0.00 31.44 27.31 2qam n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qam n ALA 51 N 1.57 -1.30 0.00 4.31 0.00 -1.26 -3.72 120.51 120.12 2qam n ALA 51 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2qam n ALA 51 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2qam n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13