#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odk s VAL 3 N 0.00 3.26 -0.24 3.57 1.01 -1.26 -0.74 120.40 126.01 2odk s VAL 3 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2odk s VAL 3 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2odk s VAL 3 CO 0.00 0.43 0.01 0.26 0.00 0.00 0.00 175.10 175.80 2odk s TRP 4 N 1.46 3.02 0.66 5.22 0.52 0.86 -4.94 118.94 125.73 2odk s TRP 4 Ca 0.06 -0.74 -0.17 0.00 0.02 0.00 0.00 56.10 55.27 2odk s TRP 4 Cb -0.14 -2.16 -0.02 0.00 -1.15 0.00 0.00 33.47 30.00 2odk s TRP 4 CO -0.04 -0.47 1.07 -2.30 0.02 0.00 0.00 176.95 175.22 2odk n PRO 5 N 4.85 0.83 -0.25 4.98 -0.02 -1.26 -0.57 135.00 143.56 2odk n PRO 5 Ca -0.17 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 2odk n PRO 5 Cb 0.51 -2.30 0.17 0.00 -0.02 0.00 0.00 33.50 31.86 2odk n PRO 5 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2odk h VAL 6 N 0.24 0.69 0.00 -1.45 3.04 -1.54 0.98 116.25 118.21 2odk h VAL 6 Ca -0.49 -0.16 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 2odk h VAL 6 Cb 1.35 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2odk h VAL 6 CO 0.50 0.08 -0.26 0.06 -1.01 0.00 0.00 177.57 176.95 2odk h GLN 7 N 0.46 0.00 0.21 4.17 -0.00 -1.89 -1.28 115.11 116.77 2odk h GLN 7 Ca 0.40 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.72 2odk h GLN 7 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.07 2odk h GLN 7 CO -0.38 0.26 -1.47 -0.44 -0.00 0.00 0.00 178.83 176.79 2odk h ASP 8 N 0.00 0.68 -0.56 0.06 3.32 -1.22 -1.27 116.42 117.43 2odk h ASP 8 Ca -0.00 -0.78 -0.01 0.00 0.02 0.00 0.00 57.03 56.26 2odk h ASP 8 Cb 0.52 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2odk h ASP 8 CO 0.03 1.62 0.33 0.00 -1.72 0.00 0.00 179.24 179.51 2odk h ALA 9 N 0.28 1.50 0.17 3.45 0.00 -0.96 -0.01 119.26 123.69 2odk h ALA 9 Ca -0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2odk h ALA 9 Cb 2.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2odk h ALA 9 CO 0.24 0.42 -0.08 -0.22 0.00 0.00 0.00 179.25 179.61 2odk h LYS 10 N 0.79 -0.23 -0.26 0.00 3.64 -1.26 -1.35 116.57 117.91 2odk h LYS 10 Ca 0.21 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2odk h LYS 10 Cb -0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2odk h LYS 10 CO -0.04 0.18 0.04 0.00 -2.27 0.00 0.00 179.45 177.36 2odk h ALA 11 N -0.07 1.59 -0.66 5.00 0.00 -1.04 -2.72 119.26 121.35 2odk h ALA 11 Ca -0.02 -0.13 -0.47 0.00 0.00 0.00 0.00 54.91 54.29 2odk h ALA 11 Cb 0.51 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 17.85 2odk h ALA 11 CO 0.04 0.31 -0.49 0.54 0.00 0.00 0.00 179.25 179.65 2odk n ARG 12 N -4.37 3.10 -0.35 0.00 1.74 -0.03 -4.84 116.66 111.90 2odk n ARG 12 Ca 0.01 -3.87 -0.00 0.00 -0.77 0.00 0.00 57.85 53.22 2odk n ARG 12 Cb 0.18 -2.16 0.15 0.00 -1.02 0.00 0.00 32.46 29.61 2odk n ARG 12 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2odk h PHE 13 N 1.91 1.20 -0.23 -1.55 3.57 -0.91 0.24 116.94 121.18 2odk h PHE 13 Ca 0.35 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 2odk h PHE 13 Cb 1.40 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2odk h PHE 13 CO 0.94 0.71 -0.09 0.77 -2.23 0.00 0.00 178.31 178.40 2odk h SER 14 N 1.25 0.34 -0.10 0.41 0.02 -1.87 0.02 113.55 113.62 2odk h SER 14 Ca 0.38 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 61.05 2odk h SER 14 Cb -0.04 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2odk h SER 14 CO -0.11 0.48 -0.70 -0.08 -1.14 0.00 0.00 176.83 175.28 2odk h GLU 15 N 0.34 0.74 -0.69 3.45 4.81 -1.57 -1.15 114.58 120.51 2odk h GLU 15 Ca 0.07 -0.56 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2odk h GLU 15 Cb 0.38 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2odk h GLU 15 CO 0.02 1.17 0.43 0.35 -0.73 0.00 0.00 179.01 180.25 2odk h PHE 16 N 0.52 0.80 -0.23 0.92 3.57 -0.48 0.16 116.94 122.20 2odk h PHE 16 Ca -0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2odk h PHE 16 Cb 1.31 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2odk h PHE 16 CO 0.07 0.45 -0.14 1.25 -2.23 0.00 0.00 178.31 177.71 2odk h LEU 17 N 0.83 0.52 -1.25 0.59 5.85 -0.93 -1.04 115.31 119.88 2odk h LEU 17 Ca 0.28 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2odk h LEU 17 Cb 0.04 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2odk h LEU 17 CO -0.12 0.83 0.05 0.44 -0.34 0.00 0.00 178.44 179.31 2odk h ASP 18 N 0.20 0.53 -0.59 1.25 3.32 -0.97 -2.16 116.42 118.00 2odk h ASP 18 Ca 0.05 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2odk h ASP 18 Cb 0.65 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2odk h ASP 18 CO 0.04 0.56 0.09 0.00 -1.72 0.00 0.00 179.24 178.21 2odk h ALA 19 N 1.51 0.78 -0.60 3.45 0.00 -0.51 0.55 119.26 124.44 2odk h ALA 19 Ca 0.12 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2odk h ALA 19 Cb 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2odk h ALA 19 CO 0.00 0.54 0.26 0.00 0.00 0.00 0.00 179.25 180.05 2odk h ILE 21 N 0.47 1.46 0.00 0.00 2.04 -1.06 -2.22 117.51 118.20 2odk h ILE 21 Ca 0.29 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 63.12 2odk h ILE 21 Cb 0.30 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2odk h ILE 21 CO -0.26 0.88 -1.14 0.35 0.00 0.00 0.00 178.15 177.99 2odk n THR 22 N -3.53 0.43 -0.01 -0.27 -2.24 0.15 -4.65 114.28 104.17 2odk n THR 22 Ca -0.09 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 2odk n THR 22 Cb 1.03 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 2odk n THR 22 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2odk n GLU 23 N -2.46 0.04 0.00 -0.78 2.13 0.52 -5.06 120.64 115.04 2odk n GLU 23 Ca -0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2odk n GLU 23 Cb 0.53 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.61 2odk n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2odk n GLY 24 N 2.95 1.28 3.56 8.31 0.00 -0.80 -5.03 105.19 115.47 2odk n GLY 24 Ca -0.04 -1.70 -0.47 0.00 0.00 0.00 0.00 46.02 43.81 2odk n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2odk n PRO 25 N -1.72 1.08 -4.88 1.61 -0.02 -1.26 -3.83 135.00 125.98 2odk n PRO 25 Ca 0.00 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 2odk n PRO 25 Cb 0.00 -1.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 2odk n PRO 25 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2odk s GLN 26 N -0.92 3.19 0.16 -0.52 -1.52 -0.67 -4.24 119.66 115.14 2odk s GLN 26 Ca 0.66 -0.79 -0.11 0.00 -1.95 0.00 0.00 55.36 53.18 2odk s GLN 26 Cb -0.81 -2.49 -0.07 0.00 -0.22 0.00 0.00 33.01 29.43 2odk s GLN 26 CO 0.56 0.14 0.51 0.42 -0.25 0.00 0.00 175.29 176.67 2odk s ILE 27 N 0.48 4.94 -0.06 1.08 1.01 0.08 -0.15 121.20 128.59 2odk s ILE 27 Ca -0.12 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2odk s ILE 27 Cb -0.17 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2odk s ILE 27 CO 0.05 0.13 -0.16 0.54 0.00 0.00 0.00 174.94 175.50 2odk s VAL 28 N -1.59 2.90 0.24 2.92 0.11 0.21 -0.10 120.40 125.08 2odk s VAL 28 Ca 0.41 -0.78 0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2odk s VAL 28 Cb -0.13 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 2odk s VAL 28 CO 0.20 0.58 -0.14 -0.94 -3.33 0.00 0.00 175.10 171.47 2odk s SER 29 N -0.54 3.94 -0.01 3.54 1.04 0.27 -0.97 113.70 120.97 2odk s SER 29 Ca 0.07 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.73 2odk s SER 29 Cb -0.11 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 2odk s SER 29 CO 0.01 0.06 -0.13 -0.13 0.98 0.00 0.00 173.24 174.03 2odk s ARG 30 N -3.26 1.08 -1.11 4.02 0.52 -0.42 -1.21 118.95 118.56 2odk s ARG 30 Ca 0.28 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2odk s ARG 30 Cb -0.07 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.37 2odk s ARG 30 CO 0.15 0.27 0.02 0.54 0.02 0.00 0.00 175.30 176.30 2odk n ARG 31 N 2.81 -2.25 -0.97 3.54 1.74 -1.26 -0.94 116.66 119.33 2odk n ARG 31 Ca -0.14 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2odk n ARG 31 Cb 0.55 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 2odk n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2odk n GLY 32 N -0.83 0.51 3.54 -0.13 0.00 -1.26 -5.01 105.19 102.01 2odk n GLY 32 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2odk n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2odk s ALA 33 N -2.26 2.88 0.35 4.61 0.00 -0.12 -5.05 121.76 122.18 2odk s ALA 33 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 2odk s ALA 33 Cb 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.84 2odk s ALA 33 CO 0.00 0.54 1.49 -1.21 0.00 0.00 0.00 175.76 176.58 2odk s GLU 34 N -0.71 4.14 0.00 0.00 2.02 -1.26 -1.30 118.70 121.59 2odk s GLU 34 Ca 0.11 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.62 2odk s GLU 34 Cb -0.11 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2odk s GLU 34 CO 0.01 -0.51 0.00 0.39 0.02 0.00 0.00 175.26 175.17 2odk n GLU 35 N 0.88 0.00 -3.89 1.61 -0.58 -0.14 -4.86 120.64 113.65 2odk n GLU 35 Ca 0.02 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.68 2odk n GLU 35 Cb 0.39 -0.59 -0.04 0.00 -0.57 0.00 0.00 31.44 30.63 2odk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2odk s ALA 36 N -1.96 -0.77 -0.01 0.62 0.00 -1.09 -5.01 121.76 113.53 2odk s ALA 36 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2odk s ALA 36 Cb 0.00 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.07 2odk s ALA 36 CO 0.00 -0.92 0.01 0.54 0.00 0.00 0.00 175.76 175.39 2odk s VAL 37 N -3.95 0.01 -0.23 0.00 0.11 -1.26 -0.62 120.40 114.45 2odk s VAL 37 Ca 0.15 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 2odk s VAL 37 Cb -0.03 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 2odk s VAL 37 CO 0.06 0.05 0.46 -0.22 -3.33 0.00 0.00 175.10 172.12 2odk s LEU 38 N 0.47 4.10 -0.03 2.54 2.96 0.79 -4.92 118.68 124.59 2odk s LEU 38 Ca -0.04 0.52 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 2odk s LEU 38 Cb -0.06 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2odk s LEU 38 CO -0.01 -0.19 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.89 2odk s VAL 39 N 1.83 2.10 0.51 1.68 1.01 -1.26 -1.67 120.40 124.60 2odk s VAL 39 Ca 0.20 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2odk s VAL 39 Cb -0.15 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 2odk s VAL 39 CO 0.09 0.58 1.38 -2.84 0.00 0.00 0.00 175.10 174.31 2odk s PRO 40 N -0.52 3.33 0.25 2.72 0.02 -1.26 -4.80 135.00 134.75 2odk s PRO 40 Ca 0.07 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.38 2odk s PRO 40 Cb -0.11 -2.40 0.30 0.00 0.02 0.00 0.00 34.50 32.31 2odk s PRO 40 CO 0.00 -1.06 1.70 0.97 -0.33 0.00 0.00 177.00 178.28 2odk h ILE 41 N 1.75 1.26 -0.36 2.83 6.09 -1.99 -1.31 117.51 125.79 2odk h ILE 41 Ca -0.51 -1.19 -0.12 0.00 -1.37 0.00 0.00 64.86 61.67 2odk h ILE 41 Cb 1.29 1.12 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 2odk h ILE 41 CO 0.59 0.40 -0.26 1.23 -3.07 0.00 0.00 178.15 177.04 2odk h GLY 42 N 0.98 0.88 0.98 8.18 0.00 -1.99 -0.51 103.07 111.58 2odk h GLY 42 Ca 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.60 2odk h GLY 42 CO 0.04 0.76 0.46 0.83 0.00 0.00 0.00 176.54 178.64 2odk h GLU 43 N 0.60 0.91 -0.01 4.80 5.08 -1.82 0.64 114.58 124.78 2odk h GLU 43 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2odk h GLU 43 Cb 0.83 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2odk h GLU 43 CO 0.07 0.60 0.00 2.35 -1.00 0.00 0.00 179.01 181.04 2odk h TRP 44 N 0.94 0.01 -0.68 4.33 2.91 -0.96 -0.29 115.95 122.21 2odk h TRP 44 Ca 0.26 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.26 2odk h TRP 44 Cb -0.08 -0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 2odk h TRP 44 CO -0.03 0.07 0.31 0.00 -1.03 0.00 0.00 178.44 177.77 2odk h ARG 45 N -0.06 0.97 -0.24 2.65 3.08 -0.70 -0.76 114.38 119.33 2odk h ARG 45 Ca 0.00 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 2odk h ARG 45 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2odk h ARG 45 CO -0.00 0.76 -0.46 0.00 -1.07 0.00 0.00 179.97 179.20 2odk h ARG 46 N 0.96 0.61 -0.78 0.04 3.08 -0.74 0.11 114.38 117.66 2odk h ARG 46 Ca 0.23 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2odk h ARG 46 Cb 0.12 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2odk h ARG 46 CO -0.03 0.94 0.49 1.25 -1.07 0.00 0.00 179.97 181.55 2odk h LEU 47 N 0.49 0.92 -0.04 3.04 5.85 -0.54 -2.17 115.31 122.86 2odk h LEU 47 Ca 0.03 -0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 2odk h LEU 47 Cb 0.99 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 41.80 2odk h LEU 47 CO 0.09 0.69 -1.00 1.56 -0.34 0.00 0.00 178.44 179.44 2odk h GLN 48 N 1.07 0.68 -0.50 1.25 4.20 -0.78 -2.71 115.11 118.32 2odk h GLN 48 Ca 0.28 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2odk h GLN 48 Cb -0.07 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2odk h GLN 48 CO -0.06 1.29 0.31 0.00 -0.67 0.00 0.00 178.83 179.71 2odk h ALA 49 N 0.47 1.62 -0.03 3.87 0.00 -0.78 -2.89 119.26 121.52 2odk h ALA 49 Ca -0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2odk h ALA 49 Cb 1.65 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2odk h ALA 49 CO 0.19 0.34 -0.32 0.00 0.00 0.00 0.00 179.25 179.47 2odk h ALA 50 N 1.67 0.08 -0.02 0.00 0.00 -1.40 -3.51 119.26 116.07 2odk h ALA 50 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2odk h ALA 50 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2odk h ALA 50 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.37