#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 5.27 -3.49 2.46 5.41 -1.26 -4.89 119.36 122.86 1rqt n ILE 2 Ca 0.00 -5.87 -0.24 0.00 1.00 0.00 0.00 62.75 57.64 1rqt n ILE 2 Cb 0.00 -1.61 -0.02 0.00 -0.71 0.00 0.00 39.64 37.30 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 -4.09 5.13 0.19 1.39 -4.23 -1.26 -5.00 115.64 107.78 1rqt s THR 3 Ca 0.40 -0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1rqt s THR 3 Cb 0.19 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.29 1rqt s THR 3 CO -0.10 -0.47 1.82 0.11 -0.54 0.00 0.00 174.62 175.44 1rqt h LYS 4 N 1.00 0.65 -0.68 3.99 6.56 -2.01 -1.79 116.57 124.29 1rqt h LYS 4 Ca -0.50 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.07 1rqt h LYS 4 Cb 1.22 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.69 1rqt h LYS 4 CO 0.62 0.43 0.44 -0.44 -2.06 0.00 0.00 179.45 178.44 1rqt h ASP 5 N 0.67 0.73 -0.53 0.86 3.32 -1.99 -0.51 116.42 118.97 1rqt h ASP 5 Ca 0.25 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.44 1rqt h ASP 5 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1rqt h ASP 5 CO -0.12 0.52 0.41 1.56 -1.72 0.00 0.00 179.24 179.89 1rqt h GLN 6 N 0.87 0.00 0.05 3.56 1.08 -1.67 0.36 115.11 119.36 1rqt h GLN 6 Ca 0.26 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.22 1rqt h GLN 6 Cb -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1rqt h GLN 6 CO -0.08 0.00 -1.05 0.82 -0.95 0.00 0.00 178.83 177.57 1rqt h ILE 7 N 0.00 1.42 -0.42 2.54 1.08 -0.87 -3.09 117.51 118.17 1rqt h ILE 7 Ca 0.25 -2.63 0.06 0.00 -0.39 0.00 0.00 64.86 62.16 1rqt h ILE 7 Cb 1.07 2.59 -0.05 0.00 -3.07 0.00 0.00 36.82 37.36 1rqt h ILE 7 CO -0.00 0.78 0.11 0.40 -0.69 0.00 0.00 178.15 178.75 1rqt h ILE 8 N 0.19 0.82 0.00 -0.67 2.04 0.11 0.19 117.51 120.19 1rqt h ILE 8 Ca -0.10 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1rqt h ILE 8 Cb 1.71 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1rqt h ILE 8 CO 0.18 0.05 0.00 -0.33 0.00 0.00 0.00 178.15 178.05 1rqt h GLU 9 N 0.26 0.00 0.00 2.37 4.39 -1.47 -1.49 114.58 118.64 1rqt h GLU 9 Ca 0.20 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.68 1rqt h GLU 9 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1rqt h GLU 9 CO -0.23 0.00 -0.93 0.00 -1.16 0.00 0.00 179.01 176.69 1rqt h ALA 10 N 2.16 0.40 0.00 3.43 0.00 -0.55 -2.52 119.26 122.18 1rqt h ALA 10 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rqt h ALA 10 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rqt h ALA 10 CO 0.00 0.84 -0.08 0.28 0.00 0.00 0.00 179.25 180.29 1rqt h VAL 11 N 0.20 0.00 -0.01 0.00 2.07 -0.68 -2.84 116.25 114.99 1rqt h VAL 11 Ca -0.07 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1rqt h VAL 11 Cb 1.56 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1rqt h VAL 11 CO 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.65 1rqt n ALA 12 N -2.09 2.77 -0.04 1.67 0.00 -0.84 -3.56 120.51 118.43 1rqt n ALA 12 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 1rqt n ALA 12 Cb 0.53 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.39 1.95 -2.09 0.00 0.00 -0.96 -4.96 120.51 114.05 1rqt n ALA 13 Ca 0.16 -0.88 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 1rqt n ALA 13 Cb 0.32 -0.58 0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.87 2.78 0.75 0.00 -1.94 -1.21 -5.10 119.30 111.72 1rqt s MET 14 Ca -0.07 -0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 52.84 1rqt s MET 14 Cb 0.09 -2.64 0.04 0.00 2.01 0.00 0.00 34.83 34.33 1rqt s MET 14 CO 0.84 -0.40 1.11 -1.54 -0.01 0.00 0.00 175.02 175.03 1rqt s SER 15 N -4.34 5.00 0.13 3.03 1.04 -1.26 -4.89 113.70 112.40 1rqt s SER 15 Ca 0.54 1.13 -0.18 0.00 0.48 0.00 0.00 55.95 57.92 1rqt s SER 15 Cb -0.10 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 1rqt s SER 15 CO 0.35 -1.63 1.72 0.58 0.98 0.00 0.00 173.24 175.25 1rqt h VAL 16 N -0.85 1.14 -0.38 5.02 2.07 -1.98 -0.76 116.25 120.50 1rqt h VAL 16 Ca -0.46 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1rqt h VAL 16 Cb 1.27 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1rqt h VAL 16 CO 0.63 0.14 0.21 0.24 0.02 0.00 0.00 177.57 178.81 1rqt h MET 17 N 0.40 0.53 -0.26 1.57 2.86 -1.99 0.11 114.93 118.15 1rqt h MET 17 Ca 0.11 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1rqt h MET 17 Cb 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1rqt h MET 17 CO -0.02 0.43 0.17 0.22 1.06 0.00 0.00 176.91 178.78 1rqt h ASP 18 N 0.49 0.22 0.67 1.22 3.58 -1.87 -0.78 116.42 119.94 1rqt h ASP 18 Ca 0.13 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 1rqt h ASP 18 Cb 0.05 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1rqt h ASP 18 CO -0.02 0.15 -1.03 0.58 -2.88 0.00 0.00 179.24 176.04 1rqt h VAL 19 N 0.25 1.54 -0.80 2.25 2.07 -0.18 -2.87 116.25 118.51 1rqt h VAL 19 Ca 0.11 -2.93 0.01 0.00 0.82 0.00 0.00 66.70 64.71 1rqt h VAL 19 Cb 0.11 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1rqt h VAL 19 CO -0.02 0.85 0.53 0.58 0.02 0.00 0.00 177.57 179.53 1rqt h VAL 20 N 0.08 1.20 -0.20 2.57 2.07 0.64 -0.01 116.25 122.60 1rqt h VAL 20 Ca -0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1rqt h VAL 20 Cb 1.72 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1rqt h VAL 20 CO 0.16 0.20 0.08 -0.33 0.02 0.00 0.00 177.57 177.70 1rqt h GLU 21 N 1.08 0.30 0.23 1.57 5.08 -1.38 0.61 114.58 122.07 1rqt h GLU 21 Ca 0.29 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1rqt h GLU 21 Cb -0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1rqt h GLU 21 CO -0.07 0.35 -0.31 1.25 -1.00 0.00 0.00 179.01 179.24 1rqt h LEU 22 N 0.17 -0.87 -0.91 1.33 6.46 -1.19 0.29 115.31 120.59 1rqt h LEU 22 Ca 0.07 0.08 0.17 0.00 -0.12 0.00 0.00 57.88 58.08 1rqt h LEU 22 Cb 0.17 0.30 -0.10 0.00 -0.73 0.00 0.00 40.66 40.29 1rqt h LEU 22 CO -0.01 -0.38 0.49 0.40 -0.62 0.00 0.00 178.44 178.32 1rqt h ILE 23 N -0.55 0.68 -0.80 4.05 2.04 -1.01 0.53 117.51 122.44 1rqt h ILE 23 Ca -0.03 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1rqt h ILE 23 Cb 0.50 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1rqt h ILE 23 CO -0.08 0.12 0.35 0.28 0.00 0.00 0.00 178.15 178.82 1rqt h SER 24 N 0.63 1.07 0.40 1.72 0.02 -0.18 -0.52 113.55 116.69 1rqt h SER 24 Ca 0.52 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1rqt h SER 24 Cb 0.81 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1rqt h SER 24 CO -0.40 0.92 -0.26 0.00 -1.14 0.00 0.00 176.83 175.96 1rqt h ALA 25 N 1.19 -0.63 -0.51 3.77 0.00 0.18 -2.32 119.26 120.93 1rqt h ALA 25 Ca 0.27 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1rqt h ALA 25 Cb 0.16 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1rqt h ALA 25 CO -0.03 -0.87 0.17 0.52 0.00 0.00 0.00 179.25 179.04 1rqt h MET 26 N -0.64 0.33 -0.76 0.00 2.07 -1.15 0.30 114.93 115.09 1rqt h MET 26 Ca -0.04 -0.02 0.17 0.00 -2.07 0.00 0.00 59.70 57.74 1rqt h MET 26 Cb 0.53 -0.07 -0.12 0.00 -1.87 0.00 0.00 31.60 30.07 1rqt h MET 26 CO 0.03 0.22 0.13 0.93 1.07 0.00 0.00 176.91 179.29 1rqt h GLU 27 N 0.34 0.20 0.07 1.72 5.08 -0.73 0.35 114.58 121.61 1rqt h GLU 27 Ca 0.25 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1rqt h GLU 27 Cb 0.29 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rqt h GLU 27 CO -0.27 0.13 -0.53 1.49 -1.00 0.00 0.00 179.01 178.84 1rqt h GLU 28 N 0.20 0.23 0.23 2.33 4.81 -0.80 -0.32 114.58 121.26 1rqt h GLU 28 Ca 0.43 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1rqt h GLU 28 Cb 0.77 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1rqt h GLU 28 CO -0.58 1.12 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.39 1rqt h LYS 29 N -0.49 -0.42 0.00 1.92 1.63 0.37 -1.63 116.57 117.95 1rqt h LYS 29 Ca -0.09 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1rqt h LYS 29 Cb 1.37 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 1rqt h LYS 29 CO 0.10 -0.28 0.00 1.19 -3.45 0.00 0.00 179.45 177.01 1rqt n PHE 30 N -3.62 0.00 -4.04 1.91 3.72 0.12 -4.89 117.46 110.66 1rqt n PHE 30 Ca -0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 1rqt n PHE 30 Cb 0.20 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.41 2.75 1.37 0.00 -0.28 -4.86 105.19 104.30 1rqt n GLY 31 Ca 0.15 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 1rqt n GLY 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rqt n VAL 32 N -4.54 4.06 -4.13 1.61 3.14 -0.31 -5.00 118.33 113.16 1rqt n VAL 32 Ca -0.25 -5.24 -0.35 0.00 -2.96 0.00 0.00 64.34 55.54 1rqt n VAL 32 Cb 0.66 -1.38 -0.08 0.00 -1.06 0.00 0.00 33.84 31.98 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1rqt s SER 33 N -2.16 5.76 -0.39 6.55 1.04 -1.26 -4.93 113.70 118.32 1rqt s SER 33 Ca 0.46 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.15 1rqt s SER 33 Cb 0.32 -1.73 0.25 0.00 0.10 0.00 0.00 66.02 64.96 1rqt s SER 33 CO -0.22 0.36 1.08 0.00 0.98 0.00 0.00 173.24 175.44 1rqt n ALA 34 N 1.84 -2.91 -2.82 5.32 0.00 -1.26 -5.08 120.51 115.59 1rqt n ALA 34 Ca -0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.65 1rqt n ALA 34 Cb 0.54 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 17.39 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 0.49 -2.48 -0.60 0.00 0.00 -1.26 -5.10 121.76 112.81 1rqt s ALA 35 Ca 0.27 -0.16 -0.39 0.00 0.00 0.00 0.00 51.96 51.69 1rqt s ALA 35 Cb 0.18 -2.76 -0.18 0.00 0.00 0.00 0.00 23.12 20.36 1rqt s ALA 35 CO -0.13 -2.28 2.30 0.00 0.00 0.00 0.00 175.76 175.66 1rqt n ALA 36 N 3.16 0.40 -1.18 0.00 0.00 -1.26 -5.33 120.51 116.30 1rqt n ALA 36 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1rqt n ALA 36 Cb 0.57 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50