#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 5.66 -1.88 2.46 5.41 -1.26 -4.88 119.36 124.88 1rqt n ILE 2 Ca 0.00 -5.77 -0.31 0.00 1.00 0.00 0.00 62.75 57.67 1rqt n ILE 2 Cb 0.00 -1.51 0.01 0.00 -0.71 0.00 0.00 39.64 37.43 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 -4.44 4.69 0.18 1.39 -4.23 -1.26 -4.96 115.64 107.02 1rqt s THR 3 Ca 0.41 0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1rqt s THR 3 Cb 0.22 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 70.28 1rqt s THR 3 CO -0.16 -1.13 1.75 0.11 -0.54 0.00 0.00 174.62 174.64 1rqt h LYS 4 N -0.29 0.32 -0.80 3.99 1.57 -2.00 -1.46 116.57 117.89 1rqt h LYS 4 Ca -0.44 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1rqt h LYS 4 Cb 1.19 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 1rqt h LYS 4 CO 0.62 0.21 0.46 -0.44 -0.57 0.00 0.00 179.45 179.73 1rqt h ASP 5 N 0.33 0.98 -0.16 0.86 5.19 -1.99 -1.03 116.42 120.60 1rqt h ASP 5 Ca 0.22 -0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.60 1rqt h ASP 5 Cb 0.23 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1rqt h ASP 5 CO -0.23 0.78 0.19 1.56 -3.12 0.00 0.00 179.24 178.42 1rqt h GLN 6 N 1.11 0.00 0.06 3.56 1.08 -1.61 0.35 115.11 119.65 1rqt h GLN 6 Ca 0.29 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.22 1rqt h GLN 6 Cb -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1rqt h GLN 6 CO -0.05 0.00 -1.35 0.82 -0.95 0.00 0.00 178.83 177.30 1rqt h ILE 7 N 0.00 1.33 0.16 2.54 2.04 -0.85 -3.02 117.51 119.72 1rqt h ILE 7 Ca 0.08 -3.03 -0.01 0.00 1.00 0.00 0.00 64.86 62.90 1rqt h ILE 7 Cb 0.46 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1rqt h ILE 7 CO -0.00 0.82 -0.08 0.40 0.00 0.00 0.00 178.15 179.29 1rqt h ILE 8 N 0.03 0.87 0.00 -0.67 2.04 0.12 -1.32 117.51 118.58 1rqt h ILE 8 Ca -0.16 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1rqt h ILE 8 Cb 1.93 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1rqt h ILE 8 CO 0.14 0.03 0.00 1.05 0.00 0.00 0.00 178.15 179.37 1rqt h GLU 9 N -0.28 0.00 -0.06 2.37 -0.00 -1.42 -1.77 114.58 113.42 1rqt h GLU 9 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.09 1rqt h GLU 9 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.98 1rqt h GLU 9 CO 0.04 0.00 -0.93 0.00 -0.00 0.00 0.00 179.01 178.12 1rqt h ALA 10 N 2.03 0.24 0.00 1.06 0.00 -1.23 -2.80 119.26 118.55 1rqt h ALA 10 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1rqt h ALA 10 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rqt h ALA 10 CO 0.00 0.70 -0.32 0.28 0.00 0.00 0.00 179.25 179.91 1rqt h VAL 11 N 0.43 1.12 -0.14 0.00 2.07 -0.39 -0.27 116.25 119.07 1rqt h VAL 11 Ca -0.09 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1rqt h VAL 11 Cb 1.57 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1rqt h VAL 11 CO 0.18 0.31 0.00 0.00 0.02 0.00 0.00 177.57 178.08 1rqt n ALA 12 N -2.43 2.52 -0.09 1.67 0.00 -0.99 -3.28 120.51 117.92 1rqt n ALA 12 Ca -0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.98 1rqt n ALA 12 Cb 0.38 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.03 1.63 -2.04 0.00 0.00 -0.13 -4.99 120.51 114.95 1rqt n ALA 13 Ca 0.12 -1.20 -0.18 0.00 0.00 0.00 0.00 53.44 52.19 1rqt n ALA 13 Cb 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.53 2.64 0.76 0.00 -1.94 -1.11 -5.11 119.30 112.01 1rqt s MET 14 Ca -0.09 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.38 1rqt s MET 14 Cb 0.06 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.26 1rqt s MET 14 CO 0.78 -0.45 1.11 -1.54 -0.01 0.00 0.00 175.02 174.91 1rqt s SER 15 N -4.43 4.94 0.15 3.03 1.04 -1.26 -4.92 113.70 112.24 1rqt s SER 15 Ca 0.56 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 57.96 1rqt s SER 15 Cb -0.08 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.21 1rqt s SER 15 CO 0.34 -1.66 1.76 0.58 0.98 0.00 0.00 173.24 175.24 1rqt h VAL 16 N -0.88 1.15 -0.52 5.02 2.07 -1.99 -2.23 116.25 118.87 1rqt h VAL 16 Ca -0.46 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1rqt h VAL 16 Cb 1.27 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1rqt h VAL 16 CO 0.63 0.16 0.21 0.24 0.02 0.00 0.00 177.57 178.82 1rqt h MET 17 N 0.56 0.39 -0.49 1.57 2.86 -1.98 0.42 114.93 118.25 1rqt h MET 17 Ca 0.15 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1rqt h MET 17 Cb 0.04 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1rqt h MET 17 CO -0.03 0.26 0.33 0.22 1.06 0.00 0.00 176.91 178.75 1rqt h ASP 18 N 0.41 0.46 1.01 1.22 1.82 -1.85 -0.56 116.42 118.94 1rqt h ASP 18 Ca 0.25 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.68 1rqt h ASP 18 Cb 0.25 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.12 1rqt h ASP 18 CO -0.23 0.32 -0.99 0.58 -1.61 0.00 0.00 179.24 177.30 1rqt h VAL 19 N 0.54 1.64 -0.32 2.25 2.07 -0.42 -2.74 116.25 119.27 1rqt h VAL 19 Ca 0.20 -3.33 -0.03 0.00 0.82 0.00 0.00 66.70 64.36 1rqt h VAL 19 Cb 0.13 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1rqt h VAL 19 CO -0.05 0.93 0.07 0.58 0.02 0.00 0.00 177.57 179.13 1rqt h VAL 20 N 0.00 1.22 -0.25 2.57 2.07 0.12 0.03 116.25 122.01 1rqt h VAL 20 Ca -0.02 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1rqt h VAL 20 Cb 1.75 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1rqt h VAL 20 CO 0.12 0.25 0.13 -0.33 0.02 0.00 0.00 177.57 177.76 1rqt h GLU 21 N 0.36 0.35 0.29 1.57 5.08 -1.25 0.30 114.58 121.29 1rqt h GLU 21 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1rqt h GLU 21 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1rqt h GLU 21 CO 0.00 0.34 -0.31 1.25 -1.00 0.00 0.00 179.01 179.28 1rqt h LEU 22 N 0.28 -0.87 -0.98 1.33 5.85 -1.33 0.39 115.31 119.99 1rqt h LEU 22 Ca 0.09 0.07 0.22 0.00 0.84 0.00 0.00 57.88 59.10 1rqt h LEU 22 Cb 0.09 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.29 1rqt h LEU 22 CO -0.01 -0.41 0.57 0.40 -0.34 0.00 0.00 178.44 178.65 1rqt h ILE 23 N -0.61 0.59 -0.59 4.05 1.08 -0.95 0.46 117.51 121.54 1rqt h ILE 23 Ca -0.04 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 1rqt h ILE 23 Cb 0.53 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1rqt h ILE 23 CO -0.05 0.11 0.04 0.28 -0.69 0.00 0.00 178.15 177.85 1rqt h SER 24 N 0.62 0.96 0.68 1.72 0.02 -0.30 -1.51 113.55 115.74 1rqt h SER 24 Ca 0.60 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1rqt h SER 24 Cb 1.07 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1rqt h SER 24 CO -0.45 0.99 -0.33 0.00 -1.14 0.00 0.00 176.83 175.91 1rqt h ALA 25 N 1.11 -1.18 -0.96 3.77 0.00 0.42 -2.81 119.26 119.62 1rqt h ALA 25 Ca 0.18 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1rqt h ALA 25 Cb 0.48 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1rqt h ALA 25 CO 0.02 -1.11 0.53 0.52 0.00 0.00 0.00 179.25 179.20 1rqt h MET 26 N -0.96 0.57 -0.41 0.00 2.07 -1.23 0.36 114.93 115.32 1rqt h MET 26 Ca -0.09 -0.03 0.09 0.00 -2.07 0.00 0.00 59.70 57.59 1rqt h MET 26 Cb 0.70 -0.13 -0.09 0.00 -1.87 0.00 0.00 31.60 30.21 1rqt h MET 26 CO 0.15 0.38 -0.19 0.93 1.07 0.00 0.00 176.91 179.25 1rqt h GLU 27 N 0.59 -0.11 0.02 1.72 5.08 -1.09 0.13 114.58 120.91 1rqt h GLU 27 Ca 0.58 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1rqt h GLU 27 Cb 1.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rqt h GLU 27 CO -0.45 -0.07 -0.20 1.49 -1.00 0.00 0.00 179.01 178.78 1rqt h GLU 28 N -0.12 0.10 -0.02 2.33 4.81 -0.87 -1.20 114.58 119.61 1rqt h GLU 28 Ca 0.20 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1rqt h GLU 28 Cb 0.42 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1rqt h GLU 28 CO -0.48 0.97 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.44 1rqt h LYS 29 N -0.70 -0.10 0.00 1.92 1.63 -0.08 -0.97 116.57 118.26 1rqt h LYS 29 Ca -0.03 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1rqt h LYS 29 Cb 1.05 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1rqt h LYS 29 CO 0.04 -0.07 0.00 1.19 -3.45 0.00 0.00 179.45 177.16 1rqt n PHE 30 N -3.09 0.21 -3.15 1.91 3.72 0.42 -4.85 117.46 112.64 1rqt n PHE 30 Ca -0.01 0.07 -0.16 0.00 -0.05 0.00 0.00 57.45 57.30 1rqt n PHE 30 Cb 0.07 -0.62 -0.03 0.00 -0.94 0.00 0.00 39.48 37.96 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 0.60 -0.42 2.37 1.37 0.00 -0.37 -4.77 105.19 103.96 1rqt n GLY 31 Ca 0.05 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.91 0.69 -3.86 1.61 0.31 -1.24 -5.03 118.33 107.90 1rqt n VAL 32 Ca 0.04 -4.71 -0.11 0.00 -0.01 0.00 0.00 64.34 59.55 1rqt n VAL 32 Cb 0.44 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.03 1rqt n VAL 32 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rqt s SER 33 N -2.28 0.03 -0.34 4.52 0.01 -1.26 -5.03 113.70 109.34 1rqt s SER 33 Ca 0.40 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.38 1rqt s SER 33 Cb 0.25 0.24 0.27 0.00 0.21 0.00 0.00 66.02 66.99 1rqt s SER 33 CO -0.09 -0.44 1.20 0.00 0.41 0.00 0.00 173.24 174.32 1rqt n ALA 34 N 1.16 -3.41 -3.16 1.44 0.00 -1.26 -5.11 120.51 110.17 1rqt n ALA 34 Ca -0.21 -0.37 0.04 0.00 0.00 0.00 0.00 53.44 52.89 1rqt n ALA 34 Cb 0.57 -3.08 -0.01 0.00 0.00 0.00 0.00 19.45 16.92 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 0.23 -2.23 0.36 0.00 0.00 -1.26 -5.14 121.76 113.71 1rqt s ALA 35 Ca 0.26 1.78 -0.23 0.00 0.00 0.00 0.00 51.96 53.78 1rqt s ALA 35 Cb 0.20 -2.18 -0.15 0.00 0.00 0.00 0.00 23.12 20.99 1rqt s ALA 35 CO -0.10 -1.35 0.29 0.00 0.00 0.00 0.00 175.76 174.60 1rqt n ALA 36 N 5.43 -2.61 -1.23 0.00 0.00 -1.26 -5.25 120.51 115.59 1rqt n ALA 36 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1rqt n ALA 36 Cb 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50