#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq n ILE 4 N 0.00 0.03 -3.17 -0.61 -5.35 -1.26 -4.55 119.36 104.46 2wwq n ILE 4 Ca 0.00 -0.10 -0.38 0.00 -0.27 0.00 0.00 62.75 61.99 2wwq n ILE 4 Cb 0.00 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 37.73 2wwq n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wwq s ARG 5 N -1.97 4.31 0.17 6.28 0.52 -1.26 -4.79 118.95 122.22 2wwq s ARG 5 Ca 0.37 0.87 0.07 0.00 -0.52 0.00 0.00 55.73 56.53 2wwq s ARG 5 Cb 0.18 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2wwq s ARG 5 CO 0.30 0.59 -0.15 -1.21 0.02 0.00 0.00 175.30 174.85 2wwq s GLU 6 N -1.24 1.22 0.56 3.54 2.02 -1.18 -4.95 118.70 118.66 2wwq s GLU 6 Ca 0.33 -1.46 -0.15 0.00 0.02 0.00 0.00 54.97 53.71 2wwq s GLU 6 Cb -0.20 -1.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 2wwq s GLU 6 CO 0.22 0.19 1.01 0.15 0.02 0.00 0.00 175.26 176.84 2wwq s LYS 7 N -3.28 3.73 0.01 1.61 1.02 -1.26 -2.63 119.74 118.94 2wwq s LYS 7 Ca 0.18 0.95 -0.10 0.00 0.02 0.00 0.00 55.97 57.02 2wwq s LYS 7 Cb -0.02 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 2wwq s LYS 7 CO 0.05 -0.46 0.20 -1.50 -0.92 0.00 0.00 175.35 172.72 2wwq s ILE 8 N -2.73 0.08 -0.08 2.17 2.07 -0.51 -4.90 121.20 117.30 2wwq s ILE 8 Ca 0.59 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2wwq s ILE 8 Cb -0.11 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 2wwq s ILE 8 CO 0.38 -0.38 -0.18 -0.54 -1.91 0.00 0.00 174.94 172.31 2wwq s LYS 9 N -1.70 2.86 -0.50 3.50 1.02 -1.16 -2.17 119.74 121.59 2wwq s LYS 9 Ca -0.12 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 54.94 2wwq s LYS 9 Cb -0.05 -2.39 0.09 0.00 -0.52 0.00 0.00 37.83 34.96 2wwq s LYS 9 CO 0.01 0.37 0.44 -0.51 -0.92 0.00 0.00 175.35 174.74 2wwq s LEU 10 N -0.10 5.81 0.35 3.17 1.43 -0.73 -3.07 118.68 125.54 2wwq s LEU 10 Ca -0.03 -1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 51.38 2wwq s LEU 10 Cb -0.14 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 2wwq s LEU 10 CO 0.04 -0.73 0.86 0.54 0.23 0.00 0.00 176.35 177.29 2wwq s VAL 11 N 1.66 4.46 0.19 -1.59 0.11 -0.33 -2.13 120.40 122.77 2wwq s VAL 11 Ca 0.04 1.38 -0.30 0.00 -2.93 0.00 0.00 61.98 60.17 2wwq s VAL 11 Cb -0.26 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 2wwq s VAL 11 CO 0.05 -0.13 1.21 -0.44 -3.33 0.00 0.00 175.10 172.46 2wwq s SER 12 N -2.03 7.06 -0.10 3.54 0.01 -1.19 -1.72 113.70 119.27 2wwq s SER 12 Ca 0.55 2.26 0.13 0.00 1.31 0.00 0.00 55.95 60.21 2wwq s SER 12 Cb -0.12 -2.61 0.33 0.00 0.21 0.00 0.00 66.02 63.83 2wwq s SER 12 CO 0.17 -0.39 1.24 -1.20 0.41 0.00 0.00 173.24 173.47 2wwq n SER 13 N 2.46 2.94 -4.80 2.44 7.64 -1.20 -4.68 113.62 118.42 2wwq n SER 13 Ca 0.04 -2.65 -0.33 0.00 1.01 0.00 0.00 58.87 56.94 2wwq n SER 13 Cb 0.44 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2wwq n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwq s ALA 14 N -2.14 2.83 -0.85 -0.43 0.00 -1.26 -4.97 121.76 114.93 2wwq s ALA 14 Ca 0.28 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 2wwq s ALA 14 Cb 0.22 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 20.17 2wwq s ALA 14 CO 0.07 -0.51 1.21 0.20 0.00 0.00 0.00 175.76 176.73 2wwq s GLY 15 N -2.34 1.40 0.08 0.00 0.00 -1.26 -4.88 107.32 100.32 2wwq s GLY 15 Ca 0.66 -2.13 -0.26 0.00 0.00 0.00 0.00 44.72 42.99 2wwq s GLY 15 CO 0.27 2.34 0.81 -1.08 0.00 0.00 0.00 173.10 175.44 2wwq s THR 16 N 4.26 0.00 0.13 0.90 -1.32 -1.26 -5.02 115.64 113.32 2wwq s THR 16 Ca 0.34 -0.14 0.30 0.00 -1.21 0.00 0.00 61.69 60.98 2wwq s THR 16 Cb -0.07 -1.19 0.34 0.00 -1.51 0.00 0.00 72.50 70.07 2wwq s THR 16 CO -0.00 0.00 1.94 1.23 -2.21 0.00 0.00 174.62 175.58 2wwq h GLY 17 N 2.00 0.00 -4.39 6.08 0.00 -1.94 -3.45 103.07 101.37 2wwq h GLY 17 Ca -0.26 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.49 2wwq h GLY 17 CO 0.32 0.00 0.41 1.57 0.00 0.00 0.00 176.54 178.84 2wwq n HIS 18 N -3.22 1.92 -4.03 5.60 -0.00 -1.26 -4.96 115.22 109.29 2wwq n HIS 18 Ca 0.00 0.58 -0.10 0.00 -0.00 0.00 0.00 57.72 58.21 2wwq n HIS 18 Cb 0.34 -2.37 -0.08 0.00 -0.00 0.00 0.00 29.99 27.88 2wwq n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2wwq s PHE 19 N -0.84 0.56 0.29 1.57 -0.71 -1.26 -3.17 117.98 114.42 2wwq s PHE 19 Ca 0.60 -0.92 0.08 0.00 -1.04 0.00 0.00 56.93 55.64 2wwq s PHE 19 Cb -0.63 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 2wwq s PHE 19 CO 0.59 -0.66 0.14 0.71 -1.34 0.00 0.00 175.22 174.66 2wwq s TYR 20 N -4.00 2.85 -0.01 3.49 4.12 -0.91 -5.01 117.35 117.89 2wwq s TYR 20 Ca 0.20 -0.25 0.00 0.00 0.02 0.00 0.00 57.07 57.05 2wwq s TYR 20 Cb 0.05 -1.47 0.01 0.00 -1.52 0.00 0.00 41.96 39.02 2wwq s TYR 20 CO 0.01 0.45 -0.00 0.99 0.02 0.00 0.00 175.55 177.01 2wwq s THR 21 N -2.29 0.07 0.17 -0.71 2.01 -1.26 -1.77 115.64 111.86 2wwq s THR 21 Ca 0.35 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.28 2wwq s THR 21 Cb -0.06 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.38 2wwq s THR 21 CO 0.23 0.05 0.44 1.07 -0.69 0.00 0.00 174.62 175.72 2wwq n THR 22 N 3.38 0.00 -4.60 -0.82 5.66 -0.92 -4.97 114.28 112.00 2wwq n THR 22 Ca -0.17 -0.45 -0.28 0.00 -3.05 0.00 0.00 64.05 60.10 2wwq n THR 22 Cb 0.57 0.48 -0.08 0.00 -1.55 0.00 0.00 70.33 69.75 2wwq n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2wwq s THR 23 N -2.47 0.86 -0.19 1.09 -4.23 -1.26 -1.42 115.64 108.00 2wwq s THR 23 Ca 0.09 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 2wwq s THR 23 Cb -0.02 -2.31 0.14 0.00 1.34 0.00 0.00 72.50 71.64 2wwq s THR 23 CO 0.05 0.00 1.05 -0.75 -0.54 0.00 0.00 174.62 174.44 2wwq s LYS 24 N -3.77 0.51 -0.24 3.99 2.47 -1.08 -4.86 119.74 116.76 2wwq s LYS 24 Ca 0.18 0.19 -0.07 0.00 -1.56 0.00 0.00 55.97 54.70 2wwq s LYS 24 Cb 0.03 0.24 -0.03 0.00 -1.46 0.00 0.00 37.83 36.60 2wwq s LYS 24 CO 0.10 -0.14 0.07 1.21 0.16 0.00 0.00 175.35 176.75 2wwq s ASN 25 N -0.89 5.25 -0.14 1.43 3.84 -1.26 -3.10 114.94 120.08 2wwq s ASN 25 Ca 0.00 -0.14 0.16 0.00 0.21 0.00 0.00 52.86 53.09 2wwq s ASN 25 Cb -0.01 -1.94 0.64 0.00 -0.55 0.00 0.00 41.25 39.39 2wwq s ASN 25 CO -0.01 0.01 1.55 0.29 -2.79 0.00 0.00 177.10 176.15 2wwq n LYS 26 N 4.65 3.64 -0.14 0.43 5.02 -1.26 -3.04 118.16 127.45 2wwq n LYS 26 Ca -0.16 -2.82 0.01 0.00 -2.02 0.00 0.00 58.31 53.32 2wwq n LYS 26 Cb 0.52 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 2wwq n LYS 26 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wwq n ARG 27 N 0.55 0.52 -0.18 1.97 1.74 -1.26 -3.82 116.66 116.19 2wwq n ARG 27 Ca 0.23 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 2wwq n ARG 27 Cb 0.89 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 2wwq n ARG 27 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wwq n THR 28 N -0.18 0.00 -2.71 0.55 -2.24 -1.25 -4.96 114.28 103.49 2wwq n THR 28 Ca 0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 2wwq n THR 28 Cb 0.53 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 69.28 2wwq n THR 28 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wwq n LYS 29 N 0.00 0.30 0.29 -0.78 4.81 -1.17 -5.04 118.16 116.57 2wwq n LYS 29 Ca 0.00 -1.27 0.15 0.00 -0.87 0.00 0.00 58.31 56.32 2wwq n LYS 29 Cb 0.54 -0.57 0.86 0.00 0.02 0.00 0.00 35.03 35.89 2wwq n LYS 29 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2wwq h PRO 30 N 4.32 0.00 -7.01 1.64 0.11 -1.80 -3.36 132.00 125.90 2wwq h PRO 30 Ca -0.02 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.55 2wwq h PRO 30 Cb 1.14 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.37 2wwq h PRO 30 CO -0.04 0.05 0.65 -1.83 -0.21 0.00 0.00 178.00 176.61 2wwq s GLU 31 N -4.41 3.49 0.51 1.05 -1.05 -1.26 -4.96 118.70 112.07 2wwq s GLU 31 Ca -0.04 2.29 0.30 0.00 -0.15 0.00 0.00 54.97 57.37 2wwq s GLU 31 Cb 0.14 -2.49 1.18 0.00 -0.44 0.00 0.00 34.13 32.52 2wwq s GLU 31 CO 0.55 -0.93 1.92 1.57 0.95 0.00 0.00 175.26 179.32 2wwq h LYS 32 N 1.99 0.00 -2.12 -4.83 5.09 -1.95 -3.50 116.57 111.24 2wwq h LYS 32 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2wwq h LYS 32 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 2wwq h LYS 32 CO 0.60 0.07 -0.52 -0.11 -2.09 0.00 0.00 179.45 177.40 2wwq n LEU 33 N -3.20 -1.64 -3.86 7.07 7.94 -1.26 -4.50 117.00 117.55 2wwq n LEU 33 Ca 0.01 1.74 -0.12 0.00 -1.11 0.00 0.00 56.01 56.53 2wwq n LEU 33 Cb 0.35 -1.29 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 2wwq n LEU 33 CO 0.30 0.19 -0.21 -1.83 -1.11 0.00 0.00 177.39 174.72 2wwq s GLU 34 N -4.73 0.32 0.15 1.96 -1.05 -1.26 -3.93 118.70 110.15 2wwq s GLU 34 Ca 0.00 -0.14 -0.07 0.00 -0.15 0.00 0.00 54.97 54.61 2wwq s GLU 34 Cb 0.00 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.81 2wwq s GLU 34 CO 0.00 -0.06 0.23 -0.51 0.95 0.00 0.00 175.26 175.86 2wwq s LEU 35 N -0.71 1.18 0.36 1.83 1.43 -0.97 -4.98 118.68 116.82 2wwq s LEU 35 Ca -0.08 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2wwq s LEU 35 Cb -0.05 0.99 -0.02 0.00 0.03 0.00 0.00 46.19 47.14 2wwq s LEU 35 CO 0.01 -0.84 0.54 -0.75 0.23 0.00 0.00 176.35 175.54 2wwq s LYS 36 N -3.97 3.31 0.00 1.70 2.20 -1.26 -1.11 119.74 120.60 2wwq s LYS 36 Ca 0.17 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2wwq s LYS 36 Cb 0.04 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2wwq s LYS 36 CO -0.01 0.06 0.00 1.17 -0.36 0.00 0.00 175.35 176.22 2wwq n LYS 37 N -1.79 -0.24 -3.75 4.03 3.00 0.05 -4.89 118.16 114.57 2wwq n LYS 37 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.01 2wwq n LYS 37 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.43 2wwq n LYS 37 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2wwq s PHE 38 N -3.00 1.02 -0.31 5.64 5.36 -1.26 -0.75 117.98 124.67 2wwq s PHE 38 Ca 0.00 -0.77 -0.15 0.00 -0.96 0.00 0.00 56.93 55.04 2wwq s PHE 38 Cb 0.00 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.64 2wwq s PHE 38 CO 0.00 -0.57 0.38 0.34 -1.46 0.00 0.00 175.22 173.91 2wwq s ASP 39 N 1.86 6.22 0.00 6.13 2.15 -0.90 -4.95 116.67 127.17 2wwq s ASP 39 Ca -0.00 -0.00 0.26 0.00 0.43 0.00 0.00 52.55 53.24 2wwq s ASP 39 Cb -0.16 -2.21 0.78 0.00 -0.30 0.00 0.00 42.92 41.03 2wwq s ASP 39 CO -0.07 -0.29 1.59 -0.81 -0.17 0.00 0.00 175.17 175.42 2wwq n PRO 40 N 5.39 0.22 -0.23 4.34 -0.04 -1.26 -2.05 135.00 141.37 2wwq n PRO 40 Ca -0.09 -0.10 -0.05 0.00 -0.04 0.00 0.00 63.50 63.22 2wwq n PRO 40 Cb 0.50 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 2wwq n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wwq h VAL 41 N 0.25 1.25 -0.03 0.52 2.07 -1.93 -3.18 116.25 115.20 2wwq h VAL 41 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2wwq h VAL 41 Cb 0.48 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wwq h VAL 41 CO 0.00 0.34 0.00 1.33 0.02 0.00 0.00 177.57 179.26 2wwq n VAL 42 N -4.26 0.20 -4.35 2.57 0.24 -1.23 -5.00 118.33 106.49 2wwq n VAL 42 Ca 0.06 -0.60 -0.34 0.00 -2.04 0.00 0.00 64.34 61.41 2wwq n VAL 42 Cb 0.22 0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 2wwq n VAL 42 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wwq n ARG 43 N 0.20 -0.86 -4.00 7.34 1.74 -1.00 -4.94 116.66 115.13 2wwq n ARG 43 Ca 0.03 0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 2wwq n ARG 43 Cb 0.16 -3.88 -0.11 0.00 -1.02 0.00 0.00 32.46 27.60 2wwq n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2wwq s GLN 44 N -7.23 0.37 0.65 5.56 2.00 -0.87 -4.97 119.66 115.17 2wwq s GLN 44 Ca 0.28 -0.66 -0.17 0.00 -2.00 0.00 0.00 55.36 52.82 2wwq s GLN 44 Cb -0.16 0.01 -0.00 0.00 0.80 0.00 0.00 33.01 33.65 2wwq s GLN 44 CO 0.99 -0.03 1.17 -1.01 -0.50 0.00 0.00 175.29 175.91 2wwq s HIS 45 N -1.49 2.38 -0.10 1.67 3.76 -1.26 -2.12 115.29 118.13 2wwq s HIS 45 Ca -0.14 1.56 -0.32 0.00 -0.15 0.00 0.00 55.06 56.00 2wwq s HIS 45 Cb -0.10 -3.36 0.12 0.00 1.11 0.00 0.00 32.58 30.35 2wwq s HIS 45 CO -0.01 -2.11 1.12 0.54 -0.85 0.00 0.00 174.74 173.43 2wwq s VAL 46 N -1.96 0.00 0.51 -0.90 0.11 0.07 -4.89 120.40 113.33 2wwq s VAL 46 Ca 0.73 -0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.54 2wwq s VAL 46 Cb -0.26 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.36 2wwq s VAL 46 CO 0.39 0.00 0.99 -0.51 -3.33 0.00 0.00 175.10 172.64 2wwq s ILE 47 N -2.66 4.33 -0.12 7.04 1.10 -1.26 -0.77 121.20 128.86 2wwq s ILE 47 Ca 0.09 1.22 -0.02 0.00 -0.51 0.00 0.00 60.65 61.42 2wwq s ILE 47 Cb -0.00 -3.62 0.04 0.00 0.15 0.00 0.00 42.46 39.02 2wwq s ILE 47 CO -0.05 -0.54 0.01 -0.31 -2.11 0.00 0.00 174.94 171.94 2wwq s TYR 48 N -2.45 0.80 0.00 3.50 1.51 -0.27 -3.21 117.35 117.23 2wwq s TYR 48 Ca 0.61 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 2wwq s TYR 48 Cb -0.11 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 2wwq s TYR 48 CO 0.27 -0.44 0.00 1.63 -1.11 0.00 0.00 175.55 175.90 2wwq n LYS 49 N 5.11 1.08 -0.43 -0.62 5.02 -0.70 -2.30 118.16 125.32 2wwq n LYS 49 Ca -0.08 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.26 2wwq n LYS 49 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 2wwq n LYS 49 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wwq n GLU 50 N -0.95 -1.00 0.00 1.97 -0.58 -1.25 -1.19 120.64 117.64 2wwq n GLU 50 Ca 0.00 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 2wwq n GLU 50 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2wwq n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wwq n ALA 51 N -2.68 1.37 -0.13 0.62 0.00 -1.18 -4.12 120.51 114.41 2wwq n ALA 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wwq n ALA 51 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2wwq n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13