#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 5.70 -2.57 0.44 5.41 -1.26 -4.89 119.36 122.19 1rqt n ILE 2 Ca 0.00 -5.84 -0.28 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 4.86 0.15 1.39 -4.23 -1.26 -4.98 115.64 107.17 1rqt s THR 3 Ca 0.41 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1rqt s THR 3 Cb 0.21 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1rqt s THR 3 CO -0.15 -0.84 1.78 0.11 -0.54 0.00 0.00 174.62 174.98 1rqt h LYS 4 N 0.32 0.37 -0.94 3.99 1.57 -2.01 -1.83 116.57 118.05 1rqt h LYS 4 Ca -0.47 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1rqt h LYS 4 Cb 1.20 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1rqt h LYS 4 CO 0.62 0.24 0.62 -0.44 -0.57 0.00 0.00 179.45 179.93 1rqt h ASP 5 N 0.38 1.07 -0.12 0.86 5.19 -1.99 -0.43 116.42 121.37 1rqt h ASP 5 Ca 0.15 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1rqt h ASP 5 Cb 0.05 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 1rqt h ASP 5 CO -0.10 0.77 0.12 1.56 -3.12 0.00 0.00 179.24 178.47 1rqt h GLN 6 N 1.26 0.00 0.13 3.56 1.08 -1.68 0.20 115.11 119.66 1rqt h GLN 6 Ca 0.35 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.27 1rqt h GLN 6 Cb -0.13 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1rqt h GLN 6 CO -0.08 0.00 -1.26 0.82 -0.95 0.00 0.00 178.83 177.36 1rqt h ILE 7 N 0.00 1.49 0.11 2.54 1.08 -0.84 -3.10 117.51 118.78 1rqt h ILE 7 Ca 0.06 -3.05 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 1rqt h ILE 7 Cb 0.31 2.95 -0.01 0.00 -3.07 0.00 0.00 36.82 37.00 1rqt h ILE 7 CO -0.00 0.89 -0.09 0.40 -0.69 0.00 0.00 178.15 178.66 1rqt h ILE 8 N 0.08 0.80 0.00 -0.67 2.04 -0.24 -0.77 117.51 118.75 1rqt h ILE 8 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1rqt h ILE 8 Cb 1.98 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1rqt h ILE 8 CO 0.21 0.00 0.00 1.05 0.00 0.00 0.00 178.15 179.41 1rqt h GLU 9 N -0.21 0.00 0.02 2.37 4.11 -1.49 -1.85 114.58 117.53 1rqt h GLU 9 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1rqt h GLU 9 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1rqt h GLU 9 CO -0.01 0.00 -1.01 0.00 0.07 0.00 0.00 179.01 178.06 1rqt h ALA 10 N 2.08 0.26 0.00 1.06 0.00 -1.09 -2.61 119.26 118.96 1rqt h ALA 10 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1rqt h ALA 10 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rqt h ALA 10 CO 0.00 0.78 -0.62 0.28 0.00 0.00 0.00 179.25 179.69 1rqt h VAL 11 N 0.27 1.43 -0.00 0.00 2.07 -0.54 -2.17 116.25 117.31 1rqt h VAL 11 Ca -0.10 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1rqt h VAL 11 Cb 1.66 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1rqt h VAL 11 CO 0.18 0.61 -0.01 0.00 0.02 0.00 0.00 177.57 178.37 1rqt n ALA 12 N -2.42 2.66 -0.04 1.67 0.00 -1.00 -3.06 120.51 118.32 1rqt n ALA 12 Ca -0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 1rqt n ALA 12 Cb 0.62 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.72 1.64 -2.01 0.00 0.00 -0.83 -4.95 120.51 113.64 1rqt n ALA 13 Ca 0.21 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.55 1rqt n ALA 13 Cb 0.19 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.66 2.75 0.69 0.00 -1.94 -1.16 -5.10 119.30 111.88 1rqt s MET 14 Ca -0.07 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.59 1rqt s MET 14 Cb 0.08 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 34.20 1rqt s MET 14 CO 0.83 -0.37 1.07 -1.54 -0.01 0.00 0.00 175.02 175.00 1rqt s SER 15 N -4.38 5.55 0.16 3.03 1.04 -1.26 -4.91 113.70 112.93 1rqt s SER 15 Ca 0.56 1.34 -0.16 0.00 0.48 0.00 0.00 55.95 58.18 1rqt s SER 15 Cb -0.10 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 63.83 1rqt s SER 15 CO 0.34 -1.30 1.81 0.58 0.98 0.00 0.00 173.24 175.66 1rqt h VAL 16 N -0.62 1.09 -0.40 5.02 2.07 -1.99 -1.19 116.25 120.23 1rqt h VAL 16 Ca -0.45 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1rqt h VAL 16 Cb 1.23 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1rqt h VAL 16 CO 0.61 0.10 0.20 0.24 0.02 0.00 0.00 177.57 178.75 1rqt h MET 17 N 0.56 0.40 0.00 1.57 2.86 -1.99 0.13 114.93 118.46 1rqt h MET 17 Ca 0.16 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1rqt h MET 17 Cb -0.04 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 1rqt h MET 17 CO -0.05 0.27 -0.06 0.22 1.06 0.00 0.00 176.91 178.34 1rqt h ASP 18 N 0.42 0.00 0.98 1.22 3.58 -1.82 -0.31 116.42 120.49 1rqt h ASP 18 Ca 0.17 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.41 1rqt h ASP 18 Cb 0.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1rqt h ASP 18 CO -0.12 0.06 -1.02 0.58 -2.88 0.00 0.00 179.24 175.87 1rqt h VAL 19 N 0.00 1.70 -0.29 2.25 2.07 0.08 -2.88 116.25 119.18 1rqt h VAL 19 Ca -0.00 -3.41 -0.10 0.00 0.82 0.00 0.00 66.70 64.01 1rqt h VAL 19 Cb 0.12 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1rqt h VAL 19 CO 0.01 0.97 -0.24 0.58 0.02 0.00 0.00 177.57 178.91 1rqt h VAL 20 N 0.00 1.27 -0.12 2.57 2.07 0.88 -0.88 116.25 122.04 1rqt h VAL 20 Ca -0.02 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1rqt h VAL 20 Cb 1.78 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1rqt h VAL 20 CO 0.13 0.42 0.00 -0.33 0.02 0.00 0.00 177.57 177.81 1rqt h GLU 21 N 0.50 0.21 0.40 1.57 4.39 -1.28 -1.16 114.58 119.21 1rqt h GLU 21 Ca 0.07 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1rqt h GLU 21 Cb 0.69 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1rqt h GLU 21 CO 0.05 0.44 -0.39 1.25 -1.16 0.00 0.00 179.01 179.20 1rqt h LEU 22 N -0.05 -1.08 -1.33 1.33 5.85 -1.33 0.38 115.31 119.06 1rqt h LEU 22 Ca 0.03 0.09 0.29 0.00 0.84 0.00 0.00 57.88 59.13 1rqt h LEU 22 Cb 0.35 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1rqt h LEU 22 CO 0.01 -0.52 0.68 0.40 -0.34 0.00 0.00 178.44 178.66 1rqt h ILE 23 N -0.79 0.47 -0.25 4.05 2.04 -1.18 0.65 117.51 122.49 1rqt h ILE 23 Ca -0.05 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.49 1rqt h ILE 23 Cb 0.68 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1rqt h ILE 23 CO -0.04 0.07 -0.59 0.28 0.00 0.00 0.00 178.15 177.86 1rqt h SER 24 N 0.37 0.92 0.75 1.72 0.02 -0.36 -1.99 113.55 114.97 1rqt h SER 24 Ca 0.63 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1rqt h SER 24 Cb 1.62 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1rqt h SER 24 CO -0.33 1.30 -0.39 0.00 -1.14 0.00 0.00 176.83 176.27 1rqt h ALA 25 N 0.71 -1.06 -0.59 3.77 0.00 0.45 -2.49 119.26 120.04 1rqt h ALA 25 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1rqt h ALA 25 Cb 1.20 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 1rqt h ALA 25 CO 0.13 -1.10 0.18 0.52 0.00 0.00 0.00 179.25 178.98 1rqt h MET 26 N -1.05 0.33 -0.79 0.00 2.07 -1.21 0.30 114.93 114.59 1rqt h MET 26 Ca -0.10 -0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.70 1rqt h MET 26 Cb 0.82 -0.08 -0.12 0.00 -1.87 0.00 0.00 31.60 30.35 1rqt h MET 26 CO 0.14 0.22 0.18 0.93 1.07 0.00 0.00 176.91 179.45 1rqt h GLU 27 N 0.34 0.23 0.10 1.72 5.08 -1.13 0.39 114.58 121.31 1rqt h GLU 27 Ca 0.30 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1rqt h GLU 27 Cb 0.40 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1rqt h GLU 27 CO -0.34 0.15 -0.56 1.49 -1.00 0.00 0.00 179.01 178.76 1rqt h GLU 28 N 0.24 0.20 0.37 2.33 4.81 -0.76 0.64 114.58 122.40 1rqt h GLU 28 Ca 0.46 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1rqt h GLU 28 Cb 0.84 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1rqt h GLU 28 CO -0.57 1.17 -0.27 -0.22 -0.73 0.00 0.00 179.01 178.38 1rqt h LYS 29 N -0.57 -0.59 0.00 1.92 3.11 0.25 -1.57 116.57 119.12 1rqt h LYS 29 Ca -0.10 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1rqt h LYS 29 Cb 1.44 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.80 1rqt h LYS 29 CO 0.10 -0.39 0.00 1.19 -2.81 0.00 0.00 179.45 177.54 1rqt n PHE 30 N -4.01 0.00 -3.98 1.91 3.72 0.13 -4.88 117.46 110.35 1rqt n PHE 30 Ca -0.07 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.01 1rqt n PHE 30 Cb 0.26 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.38 -0.47 2.42 1.37 0.00 -0.49 -4.90 105.19 103.50 1rqt n GLY 31 Ca 0.14 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.50 1.16 -4.09 1.61 0.31 0.10 -5.00 118.33 107.92 1rqt n VAL 32 Ca -0.23 -4.84 -0.29 0.00 -0.01 0.00 0.00 64.34 58.97 1rqt n VAL 32 Cb 0.65 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.98 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1rqt s SER 33 N -2.33 5.33 -0.29 4.52 1.04 -1.25 -4.79 113.70 115.92 1rqt s SER 33 Ca 0.41 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 1rqt s SER 33 Cb 0.22 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 65.00 1rqt s SER 33 CO -0.08 0.14 0.04 0.00 0.98 0.00 0.00 173.24 174.31 1rqt n ALA 34 N 0.21 -3.50 -2.94 5.32 0.00 -1.26 -5.04 120.51 113.31 1rqt n ALA 34 Ca -0.09 0.79 -0.04 0.00 0.00 0.00 0.00 53.44 54.10 1rqt n ALA 34 Cb 0.53 -1.57 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 1rqt n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt s ALA 35 N -1.48 -2.01 -0.30 0.00 0.00 -1.26 -5.11 121.76 111.60 1rqt s ALA 35 Ca -0.04 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 1rqt s ALA 35 Cb 0.00 -2.66 0.19 0.00 0.00 0.00 0.00 23.12 20.65 1rqt s ALA 35 CO 0.78 -2.22 1.20 0.00 0.00 0.00 0.00 175.76 175.52 1rqt s ALA 36 N 1.15 -3.06 -2.00 0.00 0.00 -1.26 -5.26 121.76 111.32 1rqt s ALA 36 Ca 0.26 1.88 0.18 0.00 0.00 0.00 0.00 51.96 54.28 1rqt s ALA 36 Cb -0.02 -2.19 1.08 0.00 0.00 0.00 0.00 23.12 21.99 1rqt s ALA 36 CO -0.06 -0.90 1.48 0.00 0.00 0.00 0.00 175.76 176.28