#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n ILE 4 N 0.00 0.00 -2.92 -0.61 -5.35 -1.26 -4.75 119.36 104.47 2qba n ILE 4 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 2qba n ILE 4 Cb 0.00 -0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 37.54 2qba n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qba n ARG 5 N -0.17 4.12 -1.55 6.28 5.12 -1.26 -4.24 116.66 124.96 2qba n ARG 5 Ca 0.00 -4.72 -0.37 0.00 -1.93 0.00 0.00 57.85 50.83 2qba n ARG 5 Cb 0.09 -2.37 0.07 0.00 -1.16 0.00 0.00 32.46 29.09 2qba n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qba n GLU 6 N 0.22 0.77 -0.89 5.56 4.71 -1.11 -4.46 120.64 125.44 2qba n GLU 6 Ca 0.36 0.31 -0.30 0.00 -0.01 0.00 0.00 57.16 57.52 2qba n GLU 6 Cb 0.34 -2.21 0.26 0.00 -1.01 0.00 0.00 31.44 28.82 2qba n GLU 6 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2qba s LYS 7 N -2.99 -1.77 -0.28 3.49 -0.14 -1.26 -1.78 119.74 115.00 2qba s LYS 7 Ca 0.76 -0.05 -0.25 0.00 -1.36 0.00 0.00 55.97 55.07 2qba s LYS 7 Cb -0.39 -1.53 0.15 0.00 -1.68 0.00 0.00 37.83 34.38 2qba s LYS 7 CO 0.47 -4.08 1.19 -1.50 -0.76 0.00 0.00 175.35 170.67 2qba s ILE 8 N -2.82 0.00 -0.11 2.17 -1.16 0.12 -4.62 121.20 114.79 2qba s ILE 8 Ca 0.71 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.84 2qba s ILE 8 Cb -0.10 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.94 2qba s ILE 8 CO 0.56 0.00 -0.06 -1.59 -2.81 0.00 0.00 174.94 171.04 2qba s LYS 9 N 0.06 3.15 -0.45 3.50 0.00 -1.26 -0.82 119.74 123.93 2qba s LYS 9 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 55.97 55.33 2qba s LYS 9 Cb -0.05 -2.72 0.06 0.00 0.00 0.00 0.00 37.83 35.13 2qba s LYS 9 CO -0.09 0.47 0.35 -0.51 0.00 0.00 0.00 175.35 175.57 2qba s LEU 10 N -0.28 5.44 0.52 2.77 1.02 0.13 -4.35 118.68 123.93 2qba s LEU 10 Ca 0.04 -1.27 -0.17 0.00 0.02 0.00 0.00 54.13 52.75 2qba s LEU 10 Cb -0.13 -2.14 -0.07 0.00 0.02 0.00 0.00 46.19 43.86 2qba s LEU 10 CO 0.02 -0.59 1.00 -0.69 0.02 0.00 0.00 176.35 176.12 2qba s VAL 11 N 1.61 4.30 0.02 -1.59 1.01 -0.85 -0.33 120.40 124.58 2qba s VAL 11 Ca 0.04 1.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.96 2qba s VAL 11 Cb -0.23 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2qba s VAL 11 CO 0.06 -0.57 0.67 -0.55 0.00 0.00 0.00 175.10 174.72 2qba s SER 12 N -2.80 7.09 0.46 3.32 0.15 -1.14 -1.38 113.70 119.40 2qba s SER 12 Ca 0.61 1.30 0.15 0.00 0.70 0.00 0.00 55.95 58.71 2qba s SER 12 Cb -0.12 -2.41 1.05 0.00 -1.71 0.00 0.00 66.02 62.83 2qba s SER 12 CO 0.29 0.07 2.01 0.77 1.20 0.00 0.00 173.24 177.59 2qba h SER 13 N 5.57 0.00 -4.16 5.45 4.64 -1.30 -3.43 113.55 120.31 2qba h SER 13 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 2qba h SER 13 Cb 1.20 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.43 2qba h SER 13 CO 0.70 0.16 0.41 0.00 -0.87 0.00 0.00 176.83 177.23 2qba s ALA 14 N -4.66 2.31 0.48 5.18 0.00 -1.26 -4.88 121.76 118.93 2qba s ALA 14 Ca -0.04 0.83 0.26 0.00 0.00 0.00 0.00 51.96 53.01 2qba s ALA 14 Cb 0.16 -3.43 1.31 0.00 0.00 0.00 0.00 23.12 21.16 2qba s ALA 14 CO 0.69 -1.55 1.87 0.78 0.00 0.00 0.00 175.76 177.55 2qba h GLY 15 N 0.09 0.40 -2.30 0.00 0.00 -2.02 -3.43 103.07 95.82 2qba h GLY 15 Ca -0.48 -0.08 -0.55 0.00 0.00 0.00 0.00 47.33 46.22 2qba h GLY 15 CO 0.52 -0.01 -0.54 -0.37 0.00 0.00 0.00 176.54 176.14 2qba n THR 16 N -4.38 0.87 1.28 4.70 5.66 -1.26 -4.91 114.28 116.23 2qba n THR 16 Ca 0.19 -0.30 0.13 0.00 -3.05 0.00 0.00 64.05 61.02 2qba n THR 16 Cb 0.86 -0.65 0.35 0.00 -1.55 0.00 0.00 70.33 69.33 2qba n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qba n GLY 17 N 1.65 -0.04 3.54 1.09 0.00 -1.26 -4.68 105.19 105.48 2qba n GLY 17 Ca 0.08 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2qba n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qba n HIS 18 N 0.07 -0.08 -3.79 1.61 -0.00 -1.26 -4.82 115.22 106.94 2qba n HIS 18 Ca 0.15 0.38 -0.07 0.00 -0.00 0.00 0.00 57.72 58.18 2qba n HIS 18 Cb 0.40 -2.00 -0.02 0.00 -0.00 0.00 0.00 29.99 28.37 2qba n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2qba s PHE 19 N -1.82 -0.21 0.37 1.57 -0.71 -1.26 -2.88 117.98 113.03 2qba s PHE 19 Ca 0.70 -0.18 0.08 0.00 -1.04 0.00 0.00 56.93 56.49 2qba s PHE 19 Cb -0.36 0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 42.07 2qba s PHE 19 CO 0.54 -1.10 0.07 0.71 -1.34 0.00 0.00 175.22 174.10 2qba s TYR 20 N -3.75 2.58 -0.02 3.49 2.02 0.55 -4.93 117.35 117.29 2qba s TYR 20 Ca 0.10 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2qba s TYR 20 Cb -0.04 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2qba s TYR 20 CO 0.04 0.38 -0.00 -0.08 -1.57 0.00 0.00 175.55 174.31 2qba s THR 21 N -2.55 0.14 0.37 -0.71 -1.32 -1.26 0.22 115.64 110.53 2qba s THR 21 Ca 0.37 0.05 -0.13 0.00 -1.21 0.00 0.00 61.69 60.77 2qba s THR 21 Cb 0.02 -0.21 0.05 0.00 -1.51 0.00 0.00 72.50 70.85 2qba s THR 21 CO 0.20 0.11 0.73 1.07 -2.21 0.00 0.00 174.62 174.52 2qba n THR 22 N 3.83 0.00 -4.22 5.08 5.66 0.00 -4.99 114.28 119.65 2qba n THR 22 Ca -0.23 -0.99 -0.23 0.00 -3.05 0.00 0.00 64.05 59.56 2qba n THR 22 Cb 0.53 0.94 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 2qba n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qba s THR 23 N -2.19 3.81 0.13 1.09 -4.23 -1.26 0.16 115.64 113.14 2qba s THR 23 Ca 0.16 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 2qba s THR 23 Cb -0.04 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 2qba s THR 23 CO 0.12 -0.36 0.19 -0.75 -0.54 0.00 0.00 174.62 173.29 2qba s LYS 24 N -3.75 0.98 -0.72 3.99 2.20 -0.73 -4.90 119.74 116.81 2qba s LYS 24 Ca 0.32 -1.15 0.03 0.00 -0.36 0.00 0.00 55.97 54.82 2qba s LYS 24 Cb -0.07 0.33 0.31 0.00 -1.51 0.00 0.00 37.83 36.89 2qba s LYS 24 CO 0.22 -0.32 1.09 -1.71 -0.36 0.00 0.00 175.35 174.27 2qba n ASN 25 N -0.12 4.96 -0.44 1.43 2.85 -1.26 -2.74 115.26 119.94 2qba n ASN 25 Ca -0.10 -3.59 0.36 0.00 -0.11 0.00 0.00 54.58 51.14 2qba n ASN 25 Cb 0.63 -0.76 0.65 0.00 1.24 0.00 0.00 39.78 41.53 2qba n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qba h LYS 26 N 3.76 0.11 -1.12 1.20 1.63 -1.78 0.24 116.57 120.62 2qba h LYS 26 Ca 0.22 -0.01 0.32 0.00 -0.85 0.00 0.00 60.65 60.34 2qba h LYS 26 Cb 0.53 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2qba h LYS 26 CO 0.94 0.07 0.89 0.00 -3.45 0.00 0.00 179.45 177.90 2qba h ARG 27 N 0.11 0.00 0.00 1.90 2.47 -1.90 -2.50 114.38 114.46 2qba h ARG 27 Ca 0.79 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.51 2qba h ARG 27 Cb 2.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.83 2qba h ARG 27 CO -0.35 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.43 2qba n THR 28 N -3.95 0.00 -3.06 2.04 -2.24 0.64 -4.89 114.28 102.82 2qba n THR 28 Ca 0.24 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.61 2qba n THR 28 Cb 1.26 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 70.64 2qba n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qba n LYS 29 N -0.24 2.41 0.00 -0.78 4.76 -0.07 -4.93 118.16 119.31 2qba n LYS 29 Ca 0.00 -4.34 0.00 0.00 -2.87 0.00 0.00 58.31 51.10 2qba n LYS 29 Cb 0.05 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 2qba n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qba n PRO 30 N 0.06 0.26 -3.66 1.97 -0.02 -1.18 -4.44 135.00 127.99 2qba n PRO 30 Ca 0.29 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 2qba n PRO 30 Cb 0.48 -1.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.69 2qba n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qba s GLU 31 N -0.84 3.23 -0.29 -0.52 1.03 -1.25 -5.04 118.70 115.02 2qba s GLU 31 Ca 0.00 -0.79 -0.38 0.00 0.03 0.00 0.00 54.97 53.83 2qba s GLU 31 Cb 0.00 -3.56 -0.14 0.00 -0.80 0.00 0.00 34.13 29.64 2qba s GLU 31 CO 0.00 -0.46 1.95 1.63 -1.33 0.00 0.00 175.26 177.05 2qba n LYS 32 N 4.96 1.22 -2.62 -4.83 4.01 -1.25 -4.79 118.16 114.86 2qba n LYS 32 Ca -0.14 0.41 -0.40 0.00 -0.51 0.00 0.00 58.31 57.67 2qba n LYS 32 Cb 0.48 -2.28 -0.05 0.00 -0.51 0.00 0.00 35.03 32.67 2qba n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2qba s LEU 33 N 5.15 4.59 0.01 -0.35 2.96 -0.13 -4.84 118.68 126.07 2qba s LEU 33 Ca 1.03 2.08 -0.01 0.00 -0.22 0.00 0.00 54.13 57.01 2qba s LEU 33 Cb -0.96 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.10 2qba s LEU 33 CO 0.58 -0.00 0.01 -1.83 -1.32 0.00 0.00 176.35 173.78 2qba s GLU 34 N -1.17 0.25 0.00 1.98 -1.05 -1.26 -3.63 118.70 113.83 2qba s GLU 34 Ca 0.43 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 2qba s GLU 34 Cb -0.29 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2qba s GLU 34 CO 0.36 -0.04 0.00 1.47 0.95 0.00 0.00 175.26 177.99 2qba n LEU 35 N 2.00 0.00 -1.61 1.83 -0.00 -1.01 -5.00 117.00 113.20 2qba n LEU 35 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 2qba n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qba n LEU 35 CO 0.22 0.00 -0.34 0.29 -0.00 0.00 0.00 177.39 177.56 2qba n LYS 36 N 0.00 -3.92 0.00 1.47 5.02 -1.26 -4.86 118.16 114.61 2qba n LYS 36 Ca 0.00 2.93 0.00 0.00 -2.02 0.00 0.00 58.31 59.22 2qba n LYS 36 Cb 0.00 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 2qba n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qba n LYS 37 N 1.34 0.41 -3.74 1.97 5.02 -0.45 -4.86 118.16 117.85 2qba n LYS 37 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2qba n LYS 37 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2qba n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qba s PHE 38 N -0.29 3.49 -0.61 2.13 5.36 -1.26 -1.59 117.98 125.21 2qba s PHE 38 Ca 0.00 0.46 -0.04 0.00 -0.96 0.00 0.00 56.93 56.39 2qba s PHE 38 Cb 0.00 -2.12 0.16 0.00 -0.34 0.00 0.00 43.02 40.72 2qba s PHE 38 CO 0.00 0.44 0.44 0.34 -1.46 0.00 0.00 175.22 174.98 2qba s ASP 39 N -0.13 5.43 0.50 6.13 -1.08 -1.22 -4.95 116.67 121.34 2qba s ASP 39 Ca 0.12 -2.68 0.35 0.00 -0.52 0.00 0.00 52.55 49.82 2qba s ASP 39 Cb -0.12 -1.90 1.49 0.00 -1.46 0.00 0.00 42.92 40.93 2qba s ASP 39 CO 0.01 -0.43 1.71 -0.65 0.52 0.00 0.00 175.17 176.33 2qba h PRO 40 N 7.32 0.08 -0.24 4.34 0.11 -1.95 0.89 132.00 142.55 2qba h PRO 40 Ca -0.03 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 2qba h PRO 40 Cb 0.98 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2qba h PRO 40 CO 0.73 0.06 -0.07 0.28 -0.21 0.00 0.00 178.00 178.78 2qba h VAL 41 N 0.09 1.29 0.00 3.15 2.07 -1.97 -3.13 116.25 117.75 2qba h VAL 41 Ca 0.71 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2qba h VAL 41 Cb 2.54 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 2qba h VAL 41 CO -0.15 0.34 -0.69 0.52 0.02 0.00 0.00 177.57 177.60 2qba n VAL 42 N -4.55 0.09 -3.35 2.57 0.31 0.12 -4.96 118.33 108.56 2qba n VAL 42 Ca -0.04 -0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 63.95 2qba n VAL 42 Cb 0.30 0.26 0.03 0.00 -0.91 0.00 0.00 33.84 33.53 2qba n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qba n ARG 43 N -1.70 -5.14 -3.70 5.55 5.12 0.29 -4.97 116.66 112.11 2qba n ARG 43 Ca 0.04 0.74 -0.11 0.00 -1.93 0.00 0.00 57.85 56.59 2qba n ARG 43 Cb 0.37 -5.60 -0.10 0.00 -1.16 0.00 0.00 32.46 25.97 2qba n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qba s GLN 44 N -6.04 0.51 0.01 5.56 -1.52 -1.22 -4.98 119.66 111.98 2qba s GLN 44 Ca 0.44 0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 54.33 2qba s GLN 44 Cb -0.21 0.14 -0.08 0.00 -0.22 0.00 0.00 33.01 32.64 2qba s GLN 44 CO 0.54 -0.11 1.87 -1.01 -0.25 0.00 0.00 175.29 176.33 2qba s HIS 45 N 0.87 1.50 0.20 0.91 3.76 -1.26 -3.43 115.29 117.84 2qba s HIS 45 Ca -0.05 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2qba s HIS 45 Cb -0.06 -4.15 -0.01 0.00 1.11 0.00 0.00 32.58 29.48 2qba s HIS 45 CO -0.07 -5.05 0.11 1.55 -0.85 0.00 0.00 174.74 170.43 2qba n VAL 46 N 5.52 0.00 -2.94 -0.90 3.14 -0.62 -4.96 118.33 117.57 2qba n VAL 46 Ca 0.19 -1.28 -0.38 0.00 -2.96 0.00 0.00 64.34 59.91 2qba n VAL 46 Cb 0.42 0.54 -0.06 0.00 -1.06 0.00 0.00 33.84 33.68 2qba n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qba s ILE 47 N -2.53 4.34 -0.10 1.55 1.09 -1.26 -1.34 121.20 122.95 2qba s ILE 47 Ca 0.16 1.68 0.02 0.00 -1.10 0.00 0.00 60.65 61.42 2qba s ILE 47 Cb 0.01 -4.07 0.01 0.00 -1.06 0.00 0.00 42.46 37.34 2qba s ILE 47 CO 0.11 0.37 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.84 2qba s TYR 48 N -1.33 2.05 0.00 3.97 2.02 -1.26 -0.77 117.35 122.02 2qba s TYR 48 Ca 0.41 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2qba s TYR 48 Cb -0.21 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2qba s TYR 48 CO 0.25 -0.43 0.00 1.17 -1.57 0.00 0.00 175.55 174.97 2qba n LYS 49 N 3.96 3.91 -2.57 -0.62 3.00 -0.48 -2.41 118.16 122.95 2qba n LYS 49 Ca -0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.06 2qba n LYS 49 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.50 2qba n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qba n GLU 50 N 0.00 -4.73 -2.72 1.64 4.07 -1.24 -2.01 120.64 115.65 2qba n GLU 50 Ca 0.00 3.53 -0.01 0.00 -0.06 0.00 0.00 57.16 60.62 2qba n GLU 50 Cb 0.00 -5.03 0.02 0.00 -0.06 0.00 0.00 31.44 26.37 2qba n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qba s ALA 51 N -0.65 -4.36 0.00 4.31 0.00 -1.26 -3.73 121.76 116.08 2qba s ALA 51 Ca -0.25 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2qba s ALA 51 Cb 0.02 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2qba s ALA 51 CO 0.68 -2.50 0.00 1.63 0.00 0.00 0.00 175.76 175.57