#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 5.39 -2.98 2.46 5.41 -1.26 -4.89 119.36 123.49 1rqt n ILE 2 Ca 0.00 -5.89 -0.26 0.00 1.00 0.00 0.00 62.75 57.60 1rqt n ILE 2 Cb 0.00 -1.56 -0.00 0.00 -0.71 0.00 0.00 39.64 37.37 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 -4.24 4.91 0.23 1.39 -4.23 -1.26 -4.99 115.64 107.45 1rqt s THR 3 Ca 0.41 -0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1rqt s THR 3 Cb 0.20 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.41 1rqt s THR 3 CO -0.12 -0.68 1.90 0.11 -0.54 0.00 0.00 174.62 175.29 1rqt h LYS 4 N 0.46 1.11 -0.31 3.99 6.56 -2.00 -2.23 116.57 124.16 1rqt h LYS 4 Ca -0.48 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.03 1rqt h LYS 4 Cb 1.21 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.61 1rqt h LYS 4 CO 0.61 0.74 0.16 -0.44 -2.06 0.00 0.00 179.45 178.46 1rqt h ASP 5 N 1.15 0.39 -0.41 0.86 3.32 -1.99 -1.37 116.42 118.36 1rqt h ASP 5 Ca 0.33 -0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.40 1rqt h ASP 5 Cb -0.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1rqt h ASP 5 CO -0.08 0.37 0.34 1.56 -1.72 0.00 0.00 179.24 179.71 1rqt h GLN 6 N 0.37 0.00 0.02 3.56 7.50 -1.76 0.26 115.11 125.07 1rqt h GLN 6 Ca 0.11 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.04 1rqt h GLN 6 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1rqt h GLN 6 CO -0.02 0.00 -0.95 0.82 -1.50 0.00 0.00 178.83 177.18 1rqt h ILE 7 N 0.00 1.49 -0.10 2.54 2.04 -0.88 -3.01 117.51 119.60 1rqt h ILE 7 Ca 0.20 -2.71 0.02 0.00 1.00 0.00 0.00 64.86 63.37 1rqt h ILE 7 Cb 0.87 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1rqt h ILE 7 CO -0.00 0.79 -0.03 0.40 0.00 0.00 0.00 178.15 179.31 1rqt h ILE 8 N 0.12 0.89 0.00 -0.67 1.08 0.02 0.19 117.51 119.14 1rqt h ILE 8 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1rqt h ILE 8 Cb 1.61 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1rqt h ILE 8 CO 0.15 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.99 1rqt n GLU 9 N -5.15 0.16 0.03 2.37 1.02 -1.05 -1.99 120.64 116.04 1rqt n GLU 9 Ca -0.05 0.47 -0.19 0.00 -0.02 0.00 0.00 57.16 57.37 1rqt n GLU 9 Cb 0.08 -1.86 -0.11 0.00 -0.02 0.00 0.00 31.44 29.53 1rqt n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rqt h ALA 10 N 2.20 0.09 0.00 0.62 0.00 -0.84 -2.56 119.26 118.78 1rqt h ALA 10 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 1rqt h ALA 10 Cb 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rqt h ALA 10 CO 0.00 0.53 -0.41 0.28 0.00 0.00 0.00 179.25 179.66 1rqt h VAL 11 N 0.16 1.19 -0.01 0.00 2.07 -0.79 -1.13 116.25 117.75 1rqt h VAL 11 Ca -0.11 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1rqt h VAL 11 Cb 1.54 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1rqt h VAL 11 CO 0.17 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1rqt n ALA 12 N -2.42 2.64 -0.04 1.67 0.00 -1.02 -2.97 120.51 118.37 1rqt n ALA 12 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1rqt n ALA 12 Cb 0.45 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.59 2.19 -2.03 0.00 0.00 -0.45 -4.97 120.51 114.65 1rqt n ALA 13 Ca 0.21 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 1rqt n ALA 13 Cb 0.18 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.04 2.62 0.62 0.00 -1.94 -1.09 -5.09 119.30 111.38 1rqt s MET 14 Ca -0.08 -0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 1rqt s MET 14 Cb 0.10 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 1rqt s MET 14 CO 0.87 -0.67 1.03 -1.54 -0.01 0.00 0.00 175.02 174.70 1rqt s SER 15 N -4.39 6.18 0.26 3.03 1.04 -1.26 -4.92 113.70 113.64 1rqt s SER 15 Ca 0.56 1.45 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 1rqt s SER 15 Cb -0.10 -2.48 0.41 0.00 0.10 0.00 0.00 66.02 63.95 1rqt s SER 15 CO 0.39 -0.90 1.85 0.58 0.98 0.00 0.00 173.24 176.13 1rqt h VAL 16 N -0.26 1.00 -0.42 5.02 2.07 -1.98 -1.38 116.25 120.30 1rqt h VAL 16 Ca -0.44 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1rqt h VAL 16 Cb 1.19 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1rqt h VAL 16 CO 0.61 0.18 0.22 0.24 0.02 0.00 0.00 177.57 178.84 1rqt h MET 17 N 0.99 0.42 0.00 1.57 2.86 -1.99 0.14 114.93 118.93 1rqt h MET 17 Ca 0.42 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 58.00 1rqt h MET 17 Cb 0.27 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1rqt h MET 17 CO -0.21 0.28 -0.14 0.22 1.06 0.00 0.00 176.91 178.12 1rqt h ASP 18 N 0.44 0.00 0.86 1.22 1.82 -1.66 -0.14 116.42 118.95 1rqt h ASP 18 Ca 0.17 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.60 1rqt h ASP 18 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 1rqt h ASP 18 CO -0.11 0.14 -0.99 0.58 -1.61 0.00 0.00 179.24 177.25 1rqt h VAL 19 N 0.00 1.64 0.29 2.25 2.07 -0.28 -1.83 116.25 120.39 1rqt h VAL 19 Ca -0.00 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.34 1rqt h VAL 19 Cb 0.27 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1rqt h VAL 19 CO 0.02 0.91 -0.14 0.58 0.02 0.00 0.00 177.57 178.96 1rqt h VAL 20 N 0.02 0.66 -0.62 2.57 2.07 0.54 -1.43 116.25 120.07 1rqt h VAL 20 Ca -0.03 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1rqt h VAL 20 Cb 1.71 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1rqt h VAL 20 CO 0.14 0.13 0.29 -0.33 0.02 0.00 0.00 177.57 177.82 1rqt h GLU 21 N -0.83 0.51 0.12 1.57 4.39 -1.16 0.16 114.58 119.34 1rqt h GLU 21 Ca -0.04 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1rqt h GLU 21 Cb 0.52 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1rqt h GLU 21 CO 0.07 0.34 -0.11 1.25 -1.16 0.00 0.00 179.01 179.40 1rqt h LEU 22 N 0.53 -0.30 -0.85 1.33 7.12 -1.33 0.32 115.31 122.13 1rqt h LEU 22 Ca 0.29 0.02 0.21 0.00 0.13 0.00 0.00 57.88 58.54 1rqt h LEU 22 Cb 0.28 0.10 -0.13 0.00 -0.53 0.00 0.00 40.66 40.38 1rqt h LEU 22 CO -0.24 -0.15 0.29 0.40 -0.13 0.00 0.00 178.44 178.62 1rqt h ILE 23 N -0.22 0.44 -0.94 4.05 1.08 -1.09 0.67 117.51 121.50 1rqt h ILE 23 Ca -0.01 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1rqt h ILE 23 Cb 0.19 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 33.99 1rqt h ILE 23 CO -0.01 0.06 0.62 0.28 -0.69 0.00 0.00 178.15 178.41 1rqt h SER 24 N 0.31 1.07 0.41 1.72 0.02 -0.28 0.85 113.55 117.65 1rqt h SER 24 Ca 0.52 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.43 1rqt h SER 24 Cb 0.98 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1rqt h SER 24 CO -0.56 0.76 -0.20 0.00 -1.14 0.00 0.00 176.83 175.69 1rqt h ALA 25 N 1.42 -1.00 -1.03 3.77 0.00 0.43 -3.00 119.26 119.86 1rqt h ALA 25 Ca 0.35 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.41 1rqt h ALA 25 Cb -0.10 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 1rqt h ALA 25 CO -0.09 -0.95 0.62 0.52 0.00 0.00 0.00 179.25 179.35 1rqt h MET 26 N -0.63 0.47 -0.64 0.00 2.07 -1.04 0.22 114.93 115.39 1rqt h MET 26 Ca -0.06 -0.03 0.13 0.00 -2.07 0.00 0.00 59.70 57.68 1rqt h MET 26 Cb 0.42 -0.11 -0.10 0.00 -1.87 0.00 0.00 31.60 29.95 1rqt h MET 26 CO 0.09 0.31 0.06 0.93 1.07 0.00 0.00 176.91 179.38 1rqt h GLU 27 N 0.48 0.17 0.01 1.72 5.08 -0.72 0.35 114.58 121.68 1rqt h GLU 27 Ca 0.65 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.95 1rqt h GLU 27 Cb 1.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1rqt h GLU 27 CO -0.44 0.11 -0.19 1.49 -1.00 0.00 0.00 179.01 178.99 1rqt h GLU 28 N 0.18 0.10 0.10 2.33 4.81 -0.51 -0.32 114.58 121.28 1rqt h GLU 28 Ca 0.34 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1rqt h GLU 28 Cb 0.55 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1rqt h GLU 28 CO -0.50 0.93 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.30 1rqt h LYS 29 N -0.67 -0.31 0.00 1.92 1.63 -0.57 -1.16 116.57 117.41 1rqt h LYS 29 Ca -0.03 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1rqt h LYS 29 Cb 1.01 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1rqt h LYS 29 CO 0.04 -0.21 0.00 1.19 -3.45 0.00 0.00 179.45 177.02 1rqt n PHE 30 N -3.52 0.00 -4.01 1.91 3.72 0.12 -4.89 117.46 110.79 1rqt n PHE 30 Ca -0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 1rqt n PHE 30 Cb 0.16 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 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 0.56 -0.37 2.77 1.37 0.00 -0.27 -4.87 105.19 104.37 1rqt n GLY 31 Ca 0.12 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.48 4.24 -3.42 1.61 3.14 -0.38 -4.84 118.33 114.19 1rqt n VAL 32 Ca -0.26 -5.51 -0.27 0.00 -2.96 0.00 0.00 64.34 55.33 1rqt n VAL 32 Cb 0.66 -1.42 -0.10 0.00 -1.06 0.00 0.00 33.84 31.92 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1rqt s SER 33 N -2.37 1.73 -0.41 6.55 0.15 -1.26 -4.90 113.70 113.18 1rqt s SER 33 Ca 0.45 -3.01 0.07 0.00 0.70 0.00 0.00 55.95 54.16 1rqt s SER 33 Cb 0.28 -0.49 0.18 0.00 -1.71 0.00 0.00 66.02 64.29 1rqt s SER 33 CO -0.18 -0.18 0.67 0.00 1.20 0.00 0.00 173.24 174.76 1rqt s ALA 34 N 0.10 -2.52 -0.73 5.45 0.00 -1.26 -4.99 121.76 117.81 1rqt s ALA 34 Ca 0.31 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.42 1rqt s ALA 34 Cb 0.01 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1rqt s ALA 34 CO -0.17 -2.24 0.63 0.00 0.00 0.00 0.00 175.76 173.97 1rqt n ALA 35 N 4.21 -2.68 -1.20 0.00 0.00 -1.26 -4.79 120.51 114.79 1rqt n ALA 35 Ca 0.11 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1rqt n ALA 35 Cb 0.57 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1rqt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 36 N -1.98 -3.25 -0.91 0.00 0.00 -1.26 -5.26 120.51 107.85 1rqt n ALA 36 Ca -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1rqt n ALA 36 Cb 0.66 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50