#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqt n ILE 2 N 0.00 5.71 -2.33 0.44 5.41 -1.26 -4.88 119.36 122.45 1rqt n ILE 2 Ca 0.00 -5.83 -0.29 0.00 1.00 0.00 0.00 62.75 57.62 1rqt n ILE 2 Cb 0.00 -1.52 -0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1rqt n ILE 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1rqt s THR 3 N -4.41 4.80 0.18 1.39 -4.23 -1.26 -4.98 115.64 107.14 1rqt s THR 3 Ca 0.41 0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 1rqt s THR 3 Cb 0.22 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 70.28 1rqt s THR 3 CO -0.15 -0.94 1.79 0.11 -0.54 0.00 0.00 174.62 174.88 1rqt h LYS 4 N 0.11 0.49 -0.67 3.99 1.57 -2.00 -1.73 116.57 118.32 1rqt h LYS 4 Ca -0.46 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1rqt h LYS 4 Cb 1.20 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1rqt h LYS 4 CO 0.62 0.32 0.43 -0.44 -0.57 0.00 0.00 179.45 179.82 1rqt h ASP 5 N 0.51 0.73 -0.56 0.86 3.32 -1.99 -0.86 116.42 118.42 1rqt h ASP 5 Ca 0.22 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.42 1rqt h ASP 5 Cb 0.12 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1rqt h ASP 5 CO -0.15 0.52 0.40 1.56 -1.72 0.00 0.00 179.24 179.86 1rqt h GLN 6 N 0.87 0.02 0.02 3.56 1.08 -1.67 0.32 115.11 119.31 1rqt h GLN 6 Ca 0.26 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.24 1rqt h GLN 6 Cb -0.05 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1rqt h GLN 6 CO -0.08 0.01 -0.95 0.82 -0.95 0.00 0.00 178.83 177.68 1rqt h ILE 7 N 0.02 1.47 -0.21 2.54 1.08 -0.82 -2.57 117.51 119.01 1rqt h ILE 7 Ca 0.27 -2.64 0.01 0.00 -0.39 0.00 0.00 64.86 62.11 1rqt h ILE 7 Cb 1.05 2.53 -0.02 0.00 -3.07 0.00 0.00 36.82 37.31 1rqt h ILE 7 CO -0.01 0.78 0.10 0.40 -0.69 0.00 0.00 178.15 178.73 1rqt h ILE 8 N 0.14 0.99 0.00 -0.67 2.04 0.02 -0.95 117.51 119.08 1rqt h ILE 8 Ca -0.07 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1rqt h ILE 8 Cb 1.60 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1rqt h ILE 8 CO 0.15 0.04 0.00 -0.33 0.00 0.00 0.00 178.15 178.01 1rqt h GLU 9 N 0.21 0.00 0.09 2.37 5.08 -1.38 -1.99 114.58 118.96 1rqt h GLU 9 Ca 0.09 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.16 1rqt h GLU 9 Cb 0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1rqt h GLU 9 CO -0.06 0.00 -1.18 0.00 -1.00 0.00 0.00 179.01 176.76 1rqt h ALA 10 N 2.28 0.08 0.00 3.43 0.00 -0.79 -3.16 119.26 121.11 1rqt h ALA 10 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1rqt h ALA 10 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rqt h ALA 10 CO 0.00 0.75 -0.09 0.28 0.00 0.00 0.00 179.25 180.19 1rqt h VAL 11 N 0.25 0.00 -0.25 0.00 2.07 -0.94 -3.02 116.25 114.36 1rqt h VAL 11 Ca -0.16 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1rqt h VAL 11 Cb 1.85 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1rqt h VAL 11 CO 0.22 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1rqt n ALA 12 N -2.04 2.57 -0.05 1.67 0.00 -0.78 -3.25 120.51 118.63 1rqt n ALA 12 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 53.44 52.99 1rqt n ALA 12 Cb 0.51 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 1rqt n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 13 N 0.25 2.16 -1.97 0.00 0.00 -1.14 -4.98 120.51 114.82 1rqt n ALA 13 Ca 0.09 -0.83 -0.22 0.00 0.00 0.00 0.00 53.44 52.48 1rqt n ALA 13 Cb 0.29 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.38 1rqt n ALA 13 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rqt s MET 14 N -2.92 2.37 0.73 0.00 -1.94 -1.20 -5.08 119.30 111.26 1rqt s MET 14 Ca -0.08 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 52.96 1rqt s MET 14 Cb 0.09 -2.45 0.03 0.00 2.01 0.00 0.00 34.83 34.52 1rqt s MET 14 CO 0.79 -0.87 1.08 -1.54 -0.01 0.00 0.00 175.02 174.47 1rqt s SER 15 N -4.49 4.88 0.18 3.03 1.04 -1.26 -4.84 113.70 112.24 1rqt s SER 15 Ca 0.59 1.76 -0.13 0.00 0.48 0.00 0.00 55.95 58.66 1rqt s SER 15 Cb -0.09 -2.51 0.16 0.00 0.10 0.00 0.00 66.02 63.67 1rqt s SER 15 CO 0.40 -1.79 1.78 0.58 0.98 0.00 0.00 173.24 175.19 1rqt h VAL 16 N -0.87 0.93 -0.45 5.02 2.07 -1.98 -0.22 116.25 120.75 1rqt h VAL 16 Ca -0.44 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1rqt h VAL 16 Cb 1.22 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1rqt h VAL 16 CO 0.53 0.09 0.25 0.24 0.02 0.00 0.00 177.57 178.70 1rqt h MET 17 N 0.48 0.49 0.00 1.57 2.86 -1.99 0.16 114.93 118.50 1rqt h MET 17 Ca 0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1rqt h MET 17 Cb 0.17 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1rqt h MET 17 CO -0.18 0.32 -0.06 0.22 1.06 0.00 0.00 176.91 178.27 1rqt h ASP 18 N 0.51 0.00 0.56 1.22 1.82 -1.66 -0.66 116.42 118.21 1rqt h ASP 18 Ca 0.18 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.54 1rqt h ASP 18 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1rqt h ASP 18 CO -0.10 0.06 -1.35 0.58 -1.61 0.00 0.00 179.24 176.82 1rqt h VAL 19 N 0.00 1.38 -0.42 2.25 2.07 0.47 -2.61 116.25 119.38 1rqt h VAL 19 Ca -0.00 -2.96 -0.03 0.00 0.82 0.00 0.00 66.70 64.52 1rqt h VAL 19 Cb 0.15 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1rqt h VAL 19 CO 0.01 0.86 0.13 0.58 0.02 0.00 0.00 177.57 179.17 1rqt h VAL 20 N 0.07 1.22 -0.38 2.57 2.07 0.61 -0.22 116.25 122.19 1rqt h VAL 20 Ca -0.17 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1rqt h VAL 20 Cb 1.99 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1rqt h VAL 20 CO 0.19 0.26 0.21 -0.33 0.02 0.00 0.00 177.57 177.91 1rqt h GLU 21 N 0.54 0.53 0.17 1.57 5.08 -1.25 0.31 114.58 121.53 1rqt h GLU 21 Ca 0.14 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1rqt h GLU 21 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1rqt h GLU 21 CO -0.00 0.44 -0.20 1.25 -1.00 0.00 0.00 179.01 179.49 1rqt h LEU 22 N 0.48 -0.57 -0.95 1.33 6.46 -1.19 0.31 115.31 121.18 1rqt h LEU 22 Ca 0.13 0.05 0.23 0.00 -0.12 0.00 0.00 57.88 58.17 1rqt h LEU 22 Cb 0.06 0.19 -0.12 0.00 -0.73 0.00 0.00 40.66 40.06 1rqt h LEU 22 CO -0.02 -0.26 0.50 0.40 -0.62 0.00 0.00 178.44 178.44 1rqt h ILE 23 N -0.39 0.53 -0.60 4.05 2.04 -1.00 0.44 117.51 122.58 1rqt h ILE 23 Ca -0.02 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1rqt h ILE 23 Cb 0.34 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1rqt h ILE 23 CO -0.04 0.09 0.12 0.28 0.00 0.00 0.00 178.15 178.61 1rqt h SER 24 N 0.51 0.89 0.29 1.72 0.02 -0.37 -1.11 113.55 115.49 1rqt h SER 24 Ca 0.59 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 1rqt h SER 24 Cb 1.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rqt h SER 24 CO -0.49 0.88 -0.14 0.00 -1.14 0.00 0.00 176.83 175.94 1rqt h ALA 25 N 1.23 -1.03 -1.02 3.77 0.00 0.37 -2.82 119.26 119.77 1rqt h ALA 25 Ca 0.19 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.27 1rqt h ALA 25 Cb 0.35 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1rqt h ALA 25 CO 0.00 -1.00 0.64 0.52 0.00 0.00 0.00 179.25 179.41 1rqt h MET 26 N -0.41 0.48 -0.69 0.00 2.07 -1.34 0.33 114.93 115.37 1rqt h MET 26 Ca -0.04 -0.03 0.13 0.00 -2.07 0.00 0.00 59.70 57.69 1rqt h MET 26 Cb 0.29 -0.11 -0.09 0.00 -1.87 0.00 0.00 31.60 29.83 1rqt h MET 26 CO 0.06 0.32 0.24 0.93 1.07 0.00 0.00 176.91 179.54 1rqt h GLU 27 N 0.49 0.38 0.03 1.72 5.08 -1.07 0.15 114.58 121.36 1rqt h GLU 27 Ca 0.61 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1rqt h GLU 27 Cb 1.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rqt h GLU 27 CO -0.37 0.25 -0.23 1.49 -1.00 0.00 0.00 179.01 179.15 1rqt h GLU 28 N 0.39 0.06 0.04 2.33 4.81 -0.22 -1.40 114.58 120.59 1rqt h GLU 28 Ca 0.37 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1rqt h GLU 28 Cb 0.55 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1rqt h GLU 28 CO -0.39 1.05 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.57 1rqt h LYS 29 N -0.88 -0.21 0.00 1.92 1.63 -0.60 -0.95 116.57 117.49 1rqt h LYS 29 Ca -0.05 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1rqt h LYS 29 Cb 1.14 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1rqt h LYS 29 CO 0.02 -0.14 0.00 1.19 -3.45 0.00 0.00 179.45 177.07 1rqt n PHE 30 N -3.29 0.00 -4.09 1.91 3.72 0.50 -4.88 117.46 111.32 1rqt n PHE 30 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.09 1rqt n PHE 30 Cb 0.12 -0.25 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 1rqt n PHE 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqt n GLY 31 N 0.53 -0.22 2.41 1.37 0.00 -0.36 -4.89 105.19 104.03 1rqt n GLY 31 Ca 0.11 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 1rqt n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rqt n VAL 32 N -4.49 1.56 -3.16 1.61 0.31 -0.83 -5.01 118.33 108.33 1rqt n VAL 32 Ca -0.31 -4.93 -0.45 0.00 -0.01 0.00 0.00 64.34 58.64 1rqt n VAL 32 Cb 0.69 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rqt s SER 33 N -2.27 6.42 -0.33 4.52 0.15 -1.26 -4.86 113.70 116.08 1rqt s SER 33 Ca 0.40 -1.92 -0.06 0.00 0.70 0.00 0.00 55.95 55.07 1rqt s SER 33 Cb 0.18 -2.29 0.19 0.00 -1.71 0.00 0.00 66.02 62.39 1rqt s SER 33 CO -0.05 -0.94 0.96 0.00 1.20 0.00 0.00 173.24 174.41 1rqt s ALA 34 N 1.90 -3.92 -0.32 5.45 0.00 -1.26 -5.12 121.76 118.49 1rqt s ALA 34 Ca 0.16 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1rqt s ALA 34 Cb -0.17 -2.91 0.19 0.00 0.00 0.00 0.00 23.12 20.23 1rqt s ALA 34 CO -0.01 -2.33 0.68 0.00 0.00 0.00 0.00 175.76 174.09 1rqt s ALA 35 N 2.20 -2.70 -0.02 0.00 0.00 -1.26 -5.15 121.76 114.82 1rqt s ALA 35 Ca 0.17 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1rqt s ALA 35 Cb 0.00 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.58 1rqt s ALA 35 CO -0.16 -2.00 1.30 0.00 0.00 0.00 0.00 175.76 174.90 1rqt s ALA 36 N 2.55 -2.39 0.00 0.00 0.00 -1.26 -5.33 121.76 115.33 1rqt s ALA 36 Ca 0.14 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1rqt s ALA 36 Cb -0.07 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1rqt s ALA 36 CO -0.20 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.45