#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n ILE 4 N 0.00 0.00 -2.86 -0.61 -5.35 -1.26 -4.76 119.36 104.52 2qbc n ILE 4 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 2qbc n ILE 4 Cb 0.00 -0.34 -0.01 0.00 -1.74 0.00 0.00 39.64 37.54 2qbc n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qbc n ARG 5 N -0.30 4.31 -1.50 6.28 5.12 -1.26 -4.24 116.66 125.07 2qbc n ARG 5 Ca 0.00 -4.73 -0.37 0.00 -1.93 0.00 0.00 57.85 50.83 2qbc n ARG 5 Cb 0.07 -2.38 0.06 0.00 -1.16 0.00 0.00 32.46 29.06 2qbc n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qbc n GLU 6 N 0.13 0.68 -0.98 5.56 4.71 -1.10 -4.44 120.64 125.20 2qbc n GLU 6 Ca 0.37 0.28 -0.30 0.00 -0.01 0.00 0.00 57.16 57.50 2qbc n GLU 6 Cb 0.33 -2.12 0.24 0.00 -1.01 0.00 0.00 31.44 28.88 2qbc n GLU 6 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2qbc s LYS 7 N -2.89 -1.31 -0.27 3.49 -0.14 -1.26 -1.78 119.74 115.57 2qbc s LYS 7 Ca 0.74 0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 55.13 2qbc s LYS 7 Cb -0.39 -1.58 0.14 0.00 -1.68 0.00 0.00 37.83 34.32 2qbc s LYS 7 CO 0.49 -3.79 1.12 -1.50 -0.76 0.00 0.00 175.35 170.91 2qbc s ILE 8 N -2.89 0.00 -0.10 2.17 -1.16 0.12 -4.64 121.20 114.71 2qbc s ILE 8 Ca 0.70 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.83 2qbc s ILE 8 Cb -0.11 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.93 2qbc s ILE 8 CO 0.57 0.00 -0.07 -1.59 -2.81 0.00 0.00 174.94 171.04 2qbc s LYS 9 N 0.02 3.11 -0.44 3.50 0.00 -1.26 -0.77 119.74 123.91 2qbc s LYS 9 Ca 0.04 -0.57 -0.14 0.00 0.00 0.00 0.00 55.97 55.30 2qbc s LYS 9 Cb -0.04 -2.69 0.05 0.00 0.00 0.00 0.00 37.83 35.15 2qbc s LYS 9 CO -0.07 0.47 0.34 -0.51 0.00 0.00 0.00 175.35 175.57 2qbc s LEU 10 N -0.28 5.36 0.51 2.77 1.02 0.15 -4.35 118.68 123.86 2qbc s LEU 10 Ca 0.04 -1.19 -0.17 0.00 0.02 0.00 0.00 54.13 52.83 2qbc s LEU 10 Cb -0.13 -2.14 -0.08 0.00 0.02 0.00 0.00 46.19 43.86 2qbc s LEU 10 CO 0.02 -0.56 0.99 -0.69 0.02 0.00 0.00 176.35 176.14 2qbc s VAL 11 N 1.62 4.42 0.01 -1.59 1.01 -0.70 -0.22 120.40 124.96 2qbc s VAL 11 Ca 0.04 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 2qbc s VAL 11 Cb -0.22 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2qbc s VAL 11 CO 0.07 -0.62 0.64 -0.55 0.00 0.00 0.00 175.10 174.64 2qbc s SER 12 N -2.92 7.03 0.48 3.32 0.15 -1.15 -1.21 113.70 119.40 2qbc s SER 12 Ca 0.60 1.23 0.18 0.00 0.70 0.00 0.00 55.95 58.66 2qbc s SER 12 Cb -0.11 -2.39 1.17 0.00 -1.71 0.00 0.00 66.02 62.98 2qbc s SER 12 CO 0.30 0.07 2.04 0.77 1.20 0.00 0.00 173.24 177.62 2qbc h SER 13 N 5.68 0.00 -4.14 5.45 4.64 -1.30 -3.43 113.55 120.45 2qbc h SER 13 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 2qbc h SER 13 Cb 1.20 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.41 2qbc h SER 13 CO 0.70 0.14 0.43 0.00 -0.87 0.00 0.00 176.83 177.23 2qbc s ALA 14 N -4.60 2.43 0.49 5.18 0.00 -1.26 -4.88 121.76 119.11 2qbc s ALA 14 Ca -0.04 0.86 0.27 0.00 0.00 0.00 0.00 51.96 53.05 2qbc s ALA 14 Cb 0.15 -3.42 1.33 0.00 0.00 0.00 0.00 23.12 21.19 2qbc s ALA 14 CO 0.66 -1.34 1.84 0.78 0.00 0.00 0.00 175.76 177.71 2qbc h GLY 15 N 0.42 0.43 -2.33 0.00 0.00 -2.02 -3.43 103.07 96.15 2qbc h GLY 15 Ca -0.49 -0.08 -0.55 0.00 0.00 0.00 0.00 47.33 46.21 2qbc h GLY 15 CO 0.54 -0.03 -0.52 -0.37 0.00 0.00 0.00 176.54 176.16 2qbc n THR 16 N -4.38 0.97 1.27 4.70 5.66 -1.26 -4.91 114.28 116.33 2qbc n THR 16 Ca 0.21 -0.31 0.13 0.00 -3.05 0.00 0.00 64.05 61.03 2qbc n THR 16 Cb 0.94 -0.66 0.35 0.00 -1.55 0.00 0.00 70.33 69.40 2qbc n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbc n GLY 17 N 1.65 -0.15 3.52 1.09 0.00 -1.26 -4.68 105.19 105.35 2qbc n GLY 17 Ca 0.08 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2qbc n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qbc n HIS 18 N -0.08 -0.27 -3.78 1.61 -0.00 -1.26 -4.82 115.22 106.61 2qbc n HIS 18 Ca 0.14 0.38 -0.07 0.00 -0.00 0.00 0.00 57.72 58.17 2qbc n HIS 18 Cb 0.39 -1.98 -0.02 0.00 -0.00 0.00 0.00 29.99 28.38 2qbc n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2qbc s PHE 19 N -1.83 -0.22 0.36 1.57 -0.71 -1.26 -2.93 117.98 112.97 2qbc s PHE 19 Ca 0.69 -0.18 0.08 0.00 -1.04 0.00 0.00 56.93 56.48 2qbc s PHE 19 Cb -0.37 0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 42.07 2qbc s PHE 19 CO 0.55 -1.10 0.06 0.71 -1.34 0.00 0.00 175.22 174.10 2qbc s TYR 20 N -3.75 2.57 -0.02 3.49 2.02 0.70 -4.93 117.35 117.43 2qbc s TYR 20 Ca 0.10 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2qbc s TYR 20 Cb -0.04 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2qbc s TYR 20 CO 0.04 0.39 0.00 -0.08 -1.57 0.00 0.00 175.55 174.33 2qbc s THR 21 N -2.55 0.13 0.38 -0.71 -1.32 -1.26 0.32 115.64 110.63 2qbc s THR 21 Ca 0.37 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 60.78 2qbc s THR 21 Cb 0.02 -0.21 0.05 0.00 -1.51 0.00 0.00 72.50 70.84 2qbc s THR 21 CO 0.20 0.11 0.75 0.28 -2.21 0.00 0.00 174.62 173.76 2qbc s THR 22 N 0.82 0.00 0.26 5.08 -1.32 0.05 -4.99 115.64 115.53 2qbc s THR 22 Ca -0.08 -1.08 0.08 0.00 -1.21 0.00 0.00 61.69 59.40 2qbc s THR 22 Cb -0.11 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 2qbc s THR 22 CO -0.02 0.00 0.12 0.42 -2.21 0.00 0.00 174.62 172.94 2qbc s THR 23 N -2.35 4.04 0.13 5.08 -4.23 -1.26 0.16 115.64 117.21 2qbc s THR 23 Ca 0.18 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 2qbc s THR 23 Cb -0.04 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 2qbc s THR 23 CO 0.13 -0.35 0.20 -0.75 -0.54 0.00 0.00 174.62 173.31 2qbc s LYS 24 N -3.78 1.01 -0.71 3.99 2.20 -0.73 -4.89 119.74 116.82 2qbc s LYS 24 Ca 0.33 -1.17 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 2qbc s LYS 24 Cb -0.07 0.34 0.31 0.00 -1.51 0.00 0.00 37.83 36.89 2qbc s LYS 24 CO 0.23 -0.34 1.08 -1.71 -0.36 0.00 0.00 175.35 174.25 2qbc n ASN 25 N -0.14 4.92 -0.47 1.43 2.85 -1.26 -2.72 115.26 119.86 2qbc n ASN 25 Ca -0.09 -3.60 0.39 0.00 -0.11 0.00 0.00 54.58 51.17 2qbc n ASN 25 Cb 0.63 -0.75 0.69 0.00 1.24 0.00 0.00 39.78 41.59 2qbc n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qbc h LYS 26 N 3.72 0.08 -1.07 1.20 1.63 -1.78 0.24 116.57 120.58 2qbc h LYS 26 Ca 0.22 -0.00 0.31 0.00 -0.85 0.00 0.00 60.65 60.33 2qbc h LYS 26 Cb 0.53 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2qbc h LYS 26 CO 0.93 0.05 0.83 0.00 -3.45 0.00 0.00 179.45 177.81 2qbc h ARG 27 N 0.08 0.00 0.00 1.90 2.47 -1.90 -2.62 114.38 114.31 2qbc h ARG 27 Ca 0.79 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.51 2qbc h ARG 27 Cb 2.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 31.02 2qbc h ARG 27 CO -0.27 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.51 2qbc n THR 28 N -4.03 0.00 -3.06 2.04 -2.24 0.67 -4.89 114.28 102.77 2qbc n THR 28 Ca 0.23 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 2qbc n THR 28 Cb 1.19 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 70.61 2qbc n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbc n LYS 29 N -0.23 2.38 0.00 -0.78 4.76 -0.14 -4.93 118.16 119.23 2qbc n LYS 29 Ca 0.00 -4.32 0.00 0.00 -2.87 0.00 0.00 58.31 51.12 2qbc n LYS 29 Cb 0.06 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.21 2qbc n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qbc n PRO 30 N 0.04 0.26 -3.66 1.97 -0.02 -1.19 -4.45 135.00 127.96 2qbc n PRO 30 Ca 0.29 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 2qbc n PRO 30 Cb 0.48 -1.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.70 2qbc n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qbc s GLU 31 N -0.86 3.16 -0.30 -0.52 1.03 -1.25 -5.04 118.70 114.92 2qbc s GLU 31 Ca 0.00 -0.84 -0.39 0.00 0.03 0.00 0.00 54.97 53.77 2qbc s GLU 31 Cb 0.00 -3.58 -0.14 0.00 -0.80 0.00 0.00 34.13 29.61 2qbc s GLU 31 CO 0.00 -0.50 1.92 1.63 -1.33 0.00 0.00 175.26 176.98 2qbc n LYS 32 N 4.97 1.13 -2.65 -4.83 4.01 -1.25 -4.79 118.16 114.75 2qbc n LYS 32 Ca -0.13 0.39 -0.40 0.00 -0.51 0.00 0.00 58.31 57.65 2qbc n LYS 32 Cb 0.48 -2.21 -0.05 0.00 -0.51 0.00 0.00 35.03 32.74 2qbc n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2qbc s LEU 33 N 4.88 4.60 0.01 -0.35 2.96 -0.14 -4.84 118.68 125.80 2qbc s LEU 33 Ca 1.03 2.05 -0.01 0.00 -0.22 0.00 0.00 54.13 56.98 2qbc s LEU 33 Cb -1.01 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.06 2qbc s LEU 33 CO 0.60 0.03 0.01 -1.83 -1.32 0.00 0.00 176.35 173.83 2qbc s GLU 34 N -1.14 0.23 0.00 1.98 -1.05 -1.26 -3.63 118.70 113.84 2qbc s GLU 34 Ca 0.43 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 2qbc s GLU 34 Cb -0.28 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2qbc s GLU 34 CO 0.35 -0.04 0.00 1.47 0.95 0.00 0.00 175.26 177.99 2qbc n LEU 35 N 2.09 0.00 -1.63 1.83 -0.00 -1.04 -5.00 117.00 113.24 2qbc n LEU 35 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 2qbc n LEU 35 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2qbc n LEU 35 CO 0.22 0.00 -0.34 0.29 -0.00 0.00 0.00 177.39 177.56 2qbc n LYS 36 N 0.00 -3.95 0.00 1.47 5.02 -1.26 -4.86 118.16 114.58 2qbc n LYS 36 Ca 0.00 2.95 0.00 0.00 -2.02 0.00 0.00 58.31 59.24 2qbc n LYS 36 Cb 0.00 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 2qbc n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbc n LYS 37 N 1.35 0.49 -3.85 1.97 5.02 -0.46 -4.86 118.16 117.81 2qbc n LYS 37 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2qbc n LYS 37 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2qbc n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbc s PHE 38 N 0.05 3.43 -0.62 2.13 5.36 -1.26 -1.61 117.98 125.46 2qbc s PHE 38 Ca 0.00 0.35 -0.05 0.00 -0.96 0.00 0.00 56.93 56.27 2qbc s PHE 38 Cb 0.00 -2.06 0.16 0.00 -0.34 0.00 0.00 43.02 40.78 2qbc s PHE 38 CO 0.00 0.42 0.45 0.34 -1.46 0.00 0.00 175.22 174.97 2qbc s ASP 39 N -0.14 5.45 0.52 6.13 -1.08 -1.23 -4.95 116.67 121.38 2qbc s ASP 39 Ca 0.10 -2.69 0.39 0.00 -0.52 0.00 0.00 52.55 49.82 2qbc s ASP 39 Cb -0.12 -1.90 1.56 0.00 -1.46 0.00 0.00 42.92 41.00 2qbc s ASP 39 CO 0.00 -0.43 1.71 -0.65 0.52 0.00 0.00 175.17 176.33 2qbc h PRO 40 N 7.31 0.04 -0.22 4.34 0.11 -1.95 0.83 132.00 142.46 2qbc h PRO 40 Ca -0.03 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 2qbc h PRO 40 Cb 0.98 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2qbc h PRO 40 CO 0.73 0.03 -0.14 0.28 -0.21 0.00 0.00 178.00 178.68 2qbc h VAL 41 N 0.04 1.31 0.00 3.15 2.07 -1.97 -3.16 116.25 117.69 2qbc h VAL 41 Ca 0.71 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2qbc h VAL 41 Cb 2.69 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2qbc h VAL 41 CO -0.08 0.38 -0.66 0.52 0.02 0.00 0.00 177.57 177.75 2qbc n VAL 42 N -4.49 0.04 -3.49 2.57 0.31 0.18 -4.96 118.33 108.50 2qbc n VAL 42 Ca -0.05 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 63.98 2qbc n VAL 42 Cb 0.36 0.37 0.03 0.00 -0.91 0.00 0.00 33.84 33.69 2qbc n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbc n ARG 43 N -1.59 -5.15 -3.69 5.55 5.12 0.26 -4.97 116.66 112.20 2qbc n ARG 43 Ca 0.05 0.68 -0.11 0.00 -1.93 0.00 0.00 57.85 56.54 2qbc n ARG 43 Cb 0.35 -5.55 -0.09 0.00 -1.16 0.00 0.00 32.46 26.01 2qbc n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qbc s GLN 44 N -6.18 0.53 0.03 5.56 -1.52 -1.22 -4.99 119.66 111.87 2qbc s GLN 44 Ca 0.49 0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 54.43 2qbc s GLN 44 Cb -0.24 0.13 -0.08 0.00 -0.22 0.00 0.00 33.01 32.60 2qbc s GLN 44 CO 0.61 -0.12 1.88 -1.01 -0.25 0.00 0.00 175.29 176.40 2qbc s HIS 45 N 0.97 1.55 0.19 0.91 3.76 -1.26 -3.48 115.29 117.93 2qbc s HIS 45 Ca -0.06 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2qbc s HIS 45 Cb -0.06 -4.17 -0.01 0.00 1.11 0.00 0.00 32.58 29.45 2qbc s HIS 45 CO -0.08 -5.11 0.12 1.55 -0.85 0.00 0.00 174.74 170.37 2qbc n VAL 46 N 5.42 0.00 -2.94 -0.90 3.14 -0.64 -4.96 118.33 117.45 2qbc n VAL 46 Ca 0.19 -1.29 -0.38 0.00 -2.96 0.00 0.00 64.34 59.90 2qbc n VAL 46 Cb 0.41 0.57 -0.06 0.00 -1.06 0.00 0.00 33.84 33.70 2qbc n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qbc s ILE 47 N -2.57 4.34 -0.10 1.55 1.09 -1.26 -1.35 121.20 122.90 2qbc s ILE 47 Ca 0.17 1.68 0.02 0.00 -1.10 0.00 0.00 60.65 61.42 2qbc s ILE 47 Cb 0.01 -4.07 0.01 0.00 -1.06 0.00 0.00 42.46 37.35 2qbc s ILE 47 CO 0.12 0.36 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.84 2qbc s TYR 48 N -1.35 2.05 0.00 3.97 2.02 -1.26 -0.77 117.35 122.01 2qbc s TYR 48 Ca 0.41 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 2qbc s TYR 48 Cb -0.21 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2qbc s TYR 48 CO 0.25 -0.44 0.00 1.17 -1.57 0.00 0.00 175.55 174.96 2qbc n LYS 49 N 3.97 3.87 -2.48 -0.62 3.00 -0.35 -2.50 118.16 123.05 2qbc n LYS 49 Ca -0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.06 2qbc n LYS 49 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.51 2qbc n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qbc n GLU 50 N 0.00 -4.35 -2.71 1.64 4.07 -1.24 -1.72 120.64 116.32 2qbc n GLU 50 Ca 0.00 3.30 -0.02 0.00 -0.06 0.00 0.00 57.16 60.38 2qbc n GLU 50 Cb 0.00 -4.75 0.02 0.00 -0.06 0.00 0.00 31.44 26.66 2qbc n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbc s ALA 51 N -0.61 -4.31 0.00 4.31 0.00 -1.25 -3.72 121.76 116.18 2qbc s ALA 51 Ca -0.25 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2qbc s ALA 51 Cb 0.02 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2qbc s ALA 51 CO 0.66 -2.50 0.00 1.63 0.00 0.00 0.00 175.76 175.55