#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 5.65 -2.83 0.44 5.41 -1.26 -4.87 119.36 121.90 1rqt n ILE 2 Ca 0.00 -5.89 -0.27 0.00 1.00 0.00 0.00 62.75 57.59 1rqt n ILE 2 Cb 0.00 -1.52 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 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 -4.38 4.94 0.19 1.39 -4.23 -1.26 -4.98 115.64 107.30 1rqt s THR 3 Ca 0.41 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1rqt s THR 3 Cb 0.21 -3.84 0.11 0.00 1.34 0.00 0.00 72.50 70.32 1rqt s THR 3 CO -0.14 -0.73 1.75 0.11 -0.54 0.00 0.00 174.62 175.07 1rqt h LYS 4 N 0.52 0.38 -0.36 3.99 1.57 -2.00 -1.80 116.57 118.87 1rqt h LYS 4 Ca -0.47 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1rqt h LYS 4 Cb 1.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1rqt h LYS 4 CO 0.62 0.25 0.21 -0.44 -0.57 0.00 0.00 179.45 179.53 1rqt h ASP 5 N 0.39 0.35 -0.57 0.86 3.32 -1.99 -0.32 116.42 118.46 1rqt h ASP 5 Ca 0.26 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.48 1rqt h ASP 5 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1rqt h ASP 5 CO -0.26 0.25 0.51 1.56 -1.72 0.00 0.00 179.24 179.59 1rqt h GLN 6 N 0.43 0.00 0.04 3.56 1.08 -1.67 0.63 115.11 119.18 1rqt h GLN 6 Ca 0.14 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.09 1rqt h GLN 6 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1rqt h GLN 6 CO -0.06 0.00 -1.27 0.82 -0.95 0.00 0.00 178.83 177.37 1rqt h ILE 7 N 0.00 1.42 -0.35 2.54 2.04 -0.77 -3.23 117.51 119.16 1rqt h ILE 7 Ca 0.27 -3.12 -0.00 0.00 1.00 0.00 0.00 64.86 63.00 1rqt h ILE 7 Cb 1.30 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 40.12 1rqt h ILE 7 CO -0.00 0.84 0.20 0.40 0.00 0.00 0.00 178.15 179.59 1rqt h ILE 8 N 0.02 1.13 0.00 -0.67 1.08 0.90 -0.58 117.51 119.40 1rqt h ILE 8 Ca -0.12 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1rqt h ILE 8 Cb 1.89 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1rqt h ILE 8 CO 0.14 0.13 0.00 -0.33 -0.69 0.00 0.00 178.15 177.40 1rqt h GLU 9 N 0.45 0.00 0.05 2.37 5.08 -1.45 -2.16 114.58 118.92 1rqt h GLU 9 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1rqt h GLU 9 Cb 0.04 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1rqt h GLU 9 CO -0.02 0.00 -0.83 0.00 -1.00 0.00 0.00 179.01 177.16 1rqt h ALA 10 N 2.06 0.04 0.00 3.43 0.00 -1.13 -2.87 119.26 120.78 1rqt h ALA 10 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1rqt h ALA 10 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rqt h ALA 10 CO 0.00 0.47 -0.19 0.28 0.00 0.00 0.00 179.25 179.81 1rqt h VAL 11 N -0.00 0.50 -0.40 0.00 2.07 -0.98 -1.09 116.25 116.36 1rqt h VAL 11 Ca -0.12 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1rqt h VAL 11 Cb 1.55 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1rqt h VAL 11 CO 0.16 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1rqt n ALA 12 N -2.22 2.71 -0.03 1.67 0.00 -0.96 -3.56 120.51 118.11 1rqt n ALA 12 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.57 1rqt n ALA 12 Cb 0.38 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 0.63 2.04 -1.97 0.00 0.00 -0.42 -5.02 120.51 115.77 1rqt n ALA 13 Ca 0.15 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1rqt n ALA 13 Cb 0.50 -0.17 0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.52 2.42 0.67 0.00 -1.94 -1.17 -5.08 119.30 111.68 1rqt s MET 14 Ca -0.05 -0.70 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 1rqt s MET 14 Cb 0.05 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 1rqt s MET 14 CO 0.48 -0.86 1.05 -1.54 -0.01 0.00 0.00 175.02 174.14 1rqt s SER 15 N -4.46 5.70 0.21 3.03 1.04 -1.26 -4.86 113.70 113.10 1rqt s SER 15 Ca 0.58 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 58.48 1rqt s SER 15 Cb -0.10 -2.49 0.29 0.00 0.10 0.00 0.00 66.02 63.82 1rqt s SER 15 CO 0.40 -1.23 1.78 0.58 0.98 0.00 0.00 173.24 175.75 1rqt h VAL 16 N -0.56 0.87 -0.15 5.02 2.07 -1.98 0.28 116.25 121.80 1rqt h VAL 16 Ca -0.44 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1rqt h VAL 16 Cb 1.20 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1rqt h VAL 16 CO 0.59 0.11 0.10 0.24 0.02 0.00 0.00 177.57 178.62 1rqt h MET 17 N 0.58 0.20 0.00 1.57 2.86 -1.99 0.20 114.93 118.35 1rqt h MET 17 Ca 0.32 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1rqt h MET 17 Cb 0.31 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1rqt h MET 17 CO -0.24 0.16 -0.06 0.22 1.06 0.00 0.00 176.91 178.05 1rqt h ASP 18 N 0.19 0.00 0.14 1.22 1.82 -1.69 -1.51 116.42 116.59 1rqt h ASP 18 Ca 0.06 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.50 1rqt h ASP 18 Cb -0.00 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.03 1rqt h ASP 18 CO -0.01 0.06 -0.86 0.58 -1.61 0.00 0.00 179.24 177.39 1rqt h VAL 19 N 0.00 1.49 -0.98 2.25 2.07 -0.09 -2.39 116.25 118.60 1rqt h VAL 19 Ca -0.00 -2.52 0.11 0.00 0.82 0.00 0.00 66.70 65.11 1rqt h VAL 19 Cb 0.12 3.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.96 1rqt h VAL 19 CO 0.01 0.72 0.62 0.58 0.02 0.00 0.00 177.57 179.52 1rqt h VAL 20 N -0.30 0.95 -0.24 2.57 2.07 0.16 0.74 116.25 122.20 1rqt h VAL 20 Ca -0.15 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1rqt h VAL 20 Cb 1.67 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1rqt h VAL 20 CO 0.16 0.18 -0.15 -0.33 0.02 0.00 0.00 177.57 177.45 1rqt h GLU 21 N 0.99 0.52 0.28 1.57 5.08 -1.35 -1.19 114.58 120.48 1rqt h GLU 21 Ca 0.47 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1rqt h GLU 21 Cb 0.44 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1rqt h GLU 21 CO -0.23 0.81 -0.36 1.25 -1.00 0.00 0.00 179.01 179.48 1rqt h LEU 22 N 0.23 -1.02 -0.83 1.33 5.85 -0.64 0.19 115.31 120.42 1rqt h LEU 22 Ca 0.05 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.01 1rqt h LEU 22 Cb 0.68 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 1rqt h LEU 22 CO 0.04 -0.45 0.40 0.40 -0.34 0.00 0.00 178.44 178.50 1rqt h ILE 23 N -0.66 0.70 -0.89 4.05 5.03 -0.97 0.13 117.51 124.90 1rqt h ILE 23 Ca -0.03 -0.20 0.02 0.00 -0.12 0.00 0.00 64.86 64.53 1rqt h ILE 23 Cb 0.59 0.08 -0.05 0.00 -3.03 0.00 0.00 36.82 34.42 1rqt h ILE 23 CO -0.09 0.10 0.59 0.28 -0.68 0.00 0.00 178.15 178.36 1rqt h SER 24 N 0.57 0.99 0.36 1.72 0.02 -0.56 -0.55 113.55 116.10 1rqt h SER 24 Ca 0.46 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.37 1rqt h SER 24 Cb 0.66 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1rqt h SER 24 CO -0.38 0.70 -0.17 0.00 -1.14 0.00 0.00 176.83 175.84 1rqt h ALA 25 N 1.46 -1.06 -1.00 3.77 0.00 0.21 -2.75 119.26 119.89 1rqt h ALA 25 Ca 0.34 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.40 1rqt h ALA 25 Cb -0.06 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1rqt h ALA 25 CO -0.09 -1.02 0.59 0.52 0.00 0.00 0.00 179.25 179.25 1rqt h MET 26 N -0.52 0.55 -0.50 0.00 2.07 -1.27 0.48 114.93 115.74 1rqt h MET 26 Ca -0.05 -0.03 0.10 0.00 -2.07 0.00 0.00 59.70 57.64 1rqt h MET 26 Cb 0.37 -0.12 -0.08 0.00 -1.87 0.00 0.00 31.60 29.90 1rqt h MET 26 CO 0.08 0.36 -0.01 0.93 1.07 0.00 0.00 176.91 179.35 1rqt h GLU 27 N 0.56 0.10 0.11 1.72 4.39 -0.97 0.67 114.58 121.16 1rqt h GLU 27 Ca 0.65 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 60.20 1rqt h GLU 27 Cb 1.26 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1rqt h GLU 27 CO -0.49 0.07 -0.63 1.49 -1.16 0.00 0.00 179.01 178.29 1rqt h GLU 28 N 0.11 0.22 -0.01 2.33 4.81 -0.41 -0.63 114.58 121.00 1rqt h GLU 28 Ca 0.25 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1rqt h GLU 28 Cb 0.38 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1rqt h GLU 28 CO -0.42 1.18 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.71 1rqt h LYS 29 N -0.53 -0.12 0.00 1.92 1.63 0.09 -0.26 116.57 119.31 1rqt h LYS 29 Ca -0.11 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1rqt h LYS 29 Cb 1.49 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 1rqt h LYS 29 CO 0.11 -0.08 0.00 1.19 -3.45 0.00 0.00 179.45 177.22 1rqt n PHE 30 N -3.10 0.00 -3.83 1.91 3.72 0.20 -4.90 117.46 111.46 1rqt n PHE 30 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1rqt n PHE 30 Cb 0.08 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.65 -0.76 2.53 1.37 0.00 -0.11 -4.92 105.19 103.97 1rqt n GLY 31 Ca 0.11 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.39 1.99 -4.30 1.61 0.31 -0.37 -5.00 118.33 108.17 1rqt n VAL 32 Ca -0.15 -5.13 -0.33 0.00 -0.01 0.00 0.00 64.34 58.72 1rqt n VAL 32 Cb 0.61 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.75 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 -2.63 5.07 -0.09 4.52 1.04 -1.26 -4.87 113.70 115.48 1rqt s SER 33 Ca 0.42 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.78 1rqt s SER 33 Cb 0.21 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 65.04 1rqt s SER 33 CO -0.07 0.28 0.10 0.00 0.98 0.00 0.00 173.24 174.53 1rqt n ALA 34 N 1.42 -3.32 -3.02 5.32 0.00 -1.26 -5.07 120.51 114.59 1rqt n ALA 34 Ca -0.15 0.99 -0.03 0.00 0.00 0.00 0.00 53.44 54.26 1rqt n ALA 34 Cb 0.53 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.38 -2.07 0.98 0.00 0.00 -1.26 -5.15 121.76 113.88 1rqt s ALA 35 Ca -0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 1rqt s ALA 35 Cb 0.01 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 1rqt s ALA 35 CO 0.37 -2.22 -0.36 0.00 0.00 0.00 0.00 175.76 173.55 1rqt n ALA 36 N 3.69 -4.43 -0.53 0.00 0.00 -1.26 -5.28 120.51 112.70 1rqt n ALA 36 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1rqt n ALA 36 Cb 0.56 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50