#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 5.25 -3.91 0.44 5.41 -1.26 -4.88 119.36 120.41 1rqt n ILE 2 Ca 0.00 -5.87 -0.21 0.00 1.00 0.00 0.00 62.75 57.67 1rqt n ILE 2 Cb 0.00 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 37.35 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 5.19 0.27 1.39 -4.23 -1.26 -5.00 115.64 107.76 1rqt s THR 3 Ca 0.41 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1rqt s THR 3 Cb 0.20 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1rqt s THR 3 CO -0.11 -0.34 1.89 0.11 -0.54 0.00 0.00 174.62 175.63 1rqt h LYS 4 N 1.13 1.07 -0.64 3.99 6.56 -2.00 -2.12 116.57 124.56 1rqt h LYS 4 Ca -0.52 -0.13 0.02 0.00 -1.06 0.00 0.00 60.65 58.97 1rqt h LYS 4 Cb 1.23 -0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 32.64 1rqt h LYS 4 CO 0.61 0.80 0.40 -0.44 -2.06 0.00 0.00 179.45 178.76 1rqt h ASP 5 N 1.08 0.67 -0.23 0.86 3.32 -1.99 -0.44 116.42 119.69 1rqt h ASP 5 Ca 0.27 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.38 1rqt h ASP 5 Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1rqt h ASP 5 CO -0.04 0.47 0.22 1.56 -1.72 0.00 0.00 179.24 179.73 1rqt h GLN 6 N 0.80 0.00 0.05 3.56 1.08 -1.72 0.28 115.11 119.15 1rqt h GLN 6 Ca 0.25 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.22 1rqt h GLN 6 Cb -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1rqt h GLN 6 CO -0.09 0.00 -1.04 0.82 -0.95 0.00 0.00 178.83 177.57 1rqt h ILE 7 N 0.00 1.57 -0.14 2.54 1.08 -0.98 -3.09 117.51 118.50 1rqt h ILE 7 Ca 0.11 -3.04 0.01 0.00 -0.39 0.00 0.00 64.86 61.54 1rqt h ILE 7 Cb 0.54 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.04 1rqt h ILE 7 CO -0.00 0.88 0.07 0.40 -0.69 0.00 0.00 178.15 178.81 1rqt h ILE 8 N 0.06 0.99 0.00 -0.67 2.04 0.02 -0.65 117.51 119.29 1rqt h ILE 8 Ca -0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1rqt h ILE 8 Cb 1.75 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1rqt h ILE 8 CO 0.16 0.03 0.00 -0.62 0.00 0.00 0.00 178.15 177.71 1rqt n GLU 9 N -5.03 0.15 0.00 2.37 1.02 -0.92 -1.80 120.64 116.42 1rqt n GLU 9 Ca -0.04 0.50 -0.17 0.00 -0.02 0.00 0.00 57.16 57.43 1rqt n GLU 9 Cb 0.05 -1.85 -0.11 0.00 -0.02 0.00 0.00 31.44 29.50 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 2.16 0.07 0.00 0.62 0.00 -1.04 -2.83 119.26 118.23 1rqt h ALA 10 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1rqt h ALA 10 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rqt h ALA 10 CO 0.00 0.33 -0.23 0.28 0.00 0.00 0.00 179.25 179.63 1rqt h VAL 11 N -0.14 0.72 -0.13 0.00 2.07 -0.98 -0.86 116.25 116.92 1rqt h VAL 11 Ca -0.07 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1rqt h VAL 11 Cb 1.30 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1rqt h VAL 11 CO 0.11 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1rqt n ALA 12 N -2.29 2.53 -0.09 1.67 0.00 -0.96 -3.31 120.51 118.06 1rqt n ALA 12 Ca -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1rqt n ALA 12 Cb 0.37 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.01 1.58 -2.00 0.00 0.00 -0.33 -4.98 120.51 114.76 1rqt n ALA 13 Ca 0.14 -1.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.15 1rqt n ALA 13 Cb 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.56 2.73 0.75 0.00 -1.94 -1.19 -5.11 119.30 111.99 1rqt s MET 14 Ca -0.09 -1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 52.59 1rqt s MET 14 Cb 0.07 -2.70 0.04 0.00 2.01 0.00 0.00 34.83 34.25 1rqt s MET 14 CO 0.83 -0.40 1.13 -1.54 -0.01 0.00 0.00 175.02 175.03 1rqt s SER 15 N -4.39 5.06 0.14 3.03 1.04 -1.26 -4.88 113.70 112.43 1rqt s SER 15 Ca 0.56 0.99 -0.17 0.00 0.48 0.00 0.00 55.95 57.81 1rqt s SER 15 Cb -0.10 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.35 1rqt s SER 15 CO 0.34 -1.58 1.77 0.58 0.98 0.00 0.00 173.24 175.33 1rqt h VAL 16 N -0.82 1.12 -0.39 5.02 2.07 -1.98 -0.72 116.25 120.54 1rqt h VAL 16 Ca -0.45 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1rqt h VAL 16 Cb 1.28 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1rqt h VAL 16 CO 0.65 0.12 0.20 0.24 0.02 0.00 0.00 177.57 178.79 1rqt h MET 17 N 0.45 0.39 -0.55 1.57 2.86 -1.99 0.24 114.93 117.89 1rqt h MET 17 Ca 0.12 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1rqt h MET 17 Cb 0.01 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1rqt h MET 17 CO -0.02 0.26 0.37 0.22 1.06 0.00 0.00 176.91 178.79 1rqt h ASP 18 N 0.40 0.55 0.74 1.22 3.58 -1.84 -0.79 116.42 120.27 1rqt h ASP 18 Ca 0.17 -0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.42 1rqt h ASP 18 Cb 0.07 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1rqt h ASP 18 CO -0.11 0.38 -0.86 0.58 -2.88 0.00 0.00 179.24 176.34 1rqt h VAL 19 N 0.63 1.56 -0.80 2.25 2.07 0.12 -2.72 116.25 119.36 1rqt h VAL 19 Ca 0.22 -2.78 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 1rqt h VAL 19 Cb 0.10 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1rqt h VAL 19 CO -0.06 0.80 0.36 0.58 0.02 0.00 0.00 177.57 179.27 1rqt h VAL 20 N 0.04 1.26 -0.06 2.57 2.07 0.84 0.11 116.25 123.07 1rqt h VAL 20 Ca -0.03 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1rqt h VAL 20 Cb 1.50 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1rqt h VAL 20 CO 0.12 0.31 0.02 -0.33 0.02 0.00 0.00 177.57 177.71 1rqt h GLU 21 N 1.14 0.09 0.33 1.57 4.39 -1.25 0.45 114.58 121.31 1rqt h GLU 21 Ca 0.27 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1rqt h GLU 21 Cb 0.15 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1rqt h GLU 21 CO -0.03 0.27 -0.31 1.25 -1.16 0.00 0.00 179.01 179.03 1rqt h LEU 22 N -0.10 -0.86 -0.98 1.33 5.85 -1.23 0.27 115.31 119.59 1rqt h LEU 22 Ca 0.02 0.07 0.26 0.00 0.84 0.00 0.00 57.88 59.07 1rqt h LEU 22 Cb 0.22 0.28 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 1rqt h LEU 22 CO -0.00 -0.42 0.55 0.40 -0.34 0.00 0.00 178.44 178.63 1rqt h ILE 23 N -0.64 0.46 -0.60 4.05 1.08 -0.80 0.51 117.51 121.57 1rqt h ILE 23 Ca -0.04 -0.17 -0.10 0.00 -0.39 0.00 0.00 64.86 64.16 1rqt h ILE 23 Cb 0.55 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1rqt h ILE 23 CO -0.03 0.09 -0.02 0.28 -0.69 0.00 0.00 178.15 177.78 1rqt h SER 24 N 0.48 1.05 0.56 1.72 0.02 -0.28 0.45 113.55 117.56 1rqt h SER 24 Ca 0.65 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1rqt h SER 24 Cb 1.30 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.57 1rqt h SER 24 CO -0.52 1.12 -0.27 0.00 -1.14 0.00 0.00 176.83 176.02 1rqt h ALA 25 N 0.98 -0.75 -0.60 3.77 0.00 0.35 -2.76 119.26 120.24 1rqt h ALA 25 Ca 0.17 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rqt h ALA 25 Cb 0.59 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1rqt h ALA 25 CO 0.04 -0.87 0.20 0.52 0.00 0.00 0.00 179.25 179.14 1rqt h MET 26 N -0.86 0.36 -0.71 0.00 2.07 -0.93 0.28 114.93 115.13 1rqt h MET 26 Ca -0.08 -0.02 0.15 0.00 -2.07 0.00 0.00 59.70 57.68 1rqt h MET 26 Cb 0.62 -0.08 -0.13 0.00 -1.87 0.00 0.00 31.60 30.14 1rqt h MET 26 CO 0.13 0.24 -0.06 0.93 1.07 0.00 0.00 176.91 179.21 1rqt h GLU 27 N 0.37 0.06 0.04 1.72 4.39 -0.75 0.36 114.58 120.77 1rqt h GLU 27 Ca 0.31 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.91 1rqt h GLU 27 Cb 0.40 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1rqt h GLU 27 CO -0.33 0.04 -0.40 1.49 -1.16 0.00 0.00 179.01 178.66 1rqt h GLU 28 N 0.06 0.20 0.08 2.33 4.81 -1.04 -0.45 114.58 120.58 1rqt h GLU 28 Ca 0.37 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1rqt h GLU 28 Cb 0.62 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1rqt h GLU 28 CO -0.66 1.05 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.28 1rqt h LYS 29 N -0.53 -0.27 0.00 1.92 1.63 0.29 -0.89 116.57 118.73 1rqt h LYS 29 Ca -0.06 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1rqt h LYS 29 Cb 1.23 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1rqt h LYS 29 CO 0.08 -0.18 0.00 1.19 -3.45 0.00 0.00 179.45 177.09 1rqt n PHE 30 N -3.40 0.00 -4.05 1.91 3.72 0.12 -4.88 117.46 110.87 1rqt n PHE 30 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 1rqt n PHE 30 Cb 0.14 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.49 -0.44 2.77 1.37 0.00 -0.30 -4.86 105.19 104.21 1rqt n GLY 31 Ca 0.14 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.58 3.79 -3.67 1.61 3.14 -0.47 -4.90 118.33 113.24 1rqt n VAL 32 Ca -0.24 -5.40 -0.30 0.00 -2.96 0.00 0.00 64.34 55.44 1rqt n VAL 32 Cb 0.65 -1.39 -0.14 0.00 -1.06 0.00 0.00 33.84 31.90 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 -2.65 3.66 -0.46 6.55 0.15 -1.26 -4.94 113.70 114.75 1rqt s SER 33 Ca 0.47 -2.19 0.06 0.00 0.70 0.00 0.00 55.95 54.98 1rqt s SER 33 Cb 0.30 -0.85 0.30 0.00 -1.71 0.00 0.00 66.02 64.06 1rqt s SER 33 CO -0.18 -0.33 1.09 0.00 1.20 0.00 0.00 173.24 175.02 1rqt n ALA 34 N 4.10 -1.12 -2.68 5.45 0.00 -1.26 -5.03 120.51 119.97 1rqt n ALA 34 Ca 0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 53.44 52.09 1rqt n ALA 34 Cb 0.38 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.52 1rqt n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqt n ALA 35 N 0.67 -3.49 -1.43 0.00 0.00 -1.26 -5.15 120.51 109.85 1rqt n ALA 35 Ca 0.06 -0.23 0.19 0.00 0.00 0.00 0.00 53.44 53.46 1rqt n ALA 35 Cb 0.69 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 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 2.06 -3.77 -0.99 0.00 0.00 -1.26 -5.29 120.51 111.26 1rqt n ALA 36 Ca 0.07 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1rqt n ALA 36 Cb 0.67 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50