#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 4.82 -2.23 2.46 5.41 -1.26 -4.92 119.36 123.64 1rqt n ILE 2 Ca 0.00 -5.81 -0.30 0.00 1.00 0.00 0.00 62.75 57.65 1rqt n ILE 2 Cb 0.00 -1.58 0.00 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 -4.15 4.77 0.18 1.39 -4.23 -1.26 -4.97 115.64 107.38 1rqt s THR 3 Ca 0.42 0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 61.45 1rqt s THR 3 Cb 0.21 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 70.28 1rqt s THR 3 CO -0.11 -0.98 1.77 0.11 -0.54 0.00 0.00 174.62 174.88 1rqt h LYS 4 N 0.05 0.42 -0.49 3.99 1.57 -2.00 -1.56 116.57 118.55 1rqt h LYS 4 Ca -0.45 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1rqt h LYS 4 Cb 1.19 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1rqt h LYS 4 CO 0.62 0.28 0.29 -0.44 -0.57 0.00 0.00 179.45 179.63 1rqt h ASP 5 N 0.43 0.47 -0.62 0.86 5.19 -2.00 -0.40 116.42 120.35 1rqt h ASP 5 Ca 0.23 0.01 0.18 0.00 -0.62 0.00 0.00 57.03 56.83 1rqt h ASP 5 Cb 0.20 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1rqt h ASP 5 CO -0.20 0.33 0.49 1.56 -3.12 0.00 0.00 179.24 178.30 1rqt h GLN 6 N 0.58 0.00 0.08 3.56 1.08 -1.65 0.46 115.11 119.21 1rqt h GLN 6 Ca 0.20 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.14 1rqt h GLN 6 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1rqt h GLN 6 CO -0.09 0.00 -1.19 0.82 -0.95 0.00 0.00 178.83 177.41 1rqt h ILE 7 N 0.00 1.53 -0.51 2.54 2.04 -0.66 -3.03 117.51 119.42 1rqt h ILE 7 Ca 0.30 -3.17 0.02 0.00 1.00 0.00 0.00 64.86 63.01 1rqt h ILE 7 Cb 1.26 2.88 -0.03 0.00 -0.74 0.00 0.00 36.82 40.19 1rqt h ILE 7 CO -0.00 0.91 0.32 0.40 0.00 0.00 0.00 178.15 179.77 1rqt h ILE 8 N 0.04 1.08 0.00 -0.67 1.08 0.61 -0.03 117.51 119.63 1rqt h ILE 8 Ca -0.10 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1rqt h ILE 8 Cb 1.90 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1rqt h ILE 8 CO 0.17 0.12 0.00 -0.33 -0.69 0.00 0.00 178.15 177.42 1rqt h GLU 9 N 0.64 0.00 0.06 2.37 5.08 -1.35 -2.43 114.58 118.95 1rqt h GLU 9 Ca 0.20 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 1rqt h GLU 9 Cb -0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.25 1rqt h GLU 9 CO -0.07 0.00 -0.91 0.00 -1.00 0.00 0.00 179.01 177.03 1rqt h ALA 10 N 2.20 0.03 0.00 3.43 0.00 -0.90 -2.81 119.26 121.21 1rqt h ALA 10 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1rqt h ALA 10 Cb 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rqt h ALA 10 CO 0.00 0.52 -0.20 0.28 0.00 0.00 0.00 179.25 179.85 1rqt h VAL 11 N 0.06 0.48 -0.33 0.00 2.07 -1.02 -1.59 116.25 115.91 1rqt h VAL 11 Ca -0.13 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1rqt h VAL 11 Cb 1.62 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1rqt h VAL 11 CO 0.18 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1rqt n ALA 12 N -2.20 2.45 -0.07 1.67 0.00 -0.95 -3.53 120.51 117.88 1rqt n ALA 12 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 1rqt n ALA 12 Cb 0.43 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 0.51 1.78 -2.01 0.00 0.00 -0.60 -5.01 120.51 115.18 1rqt n ALA 13 Ca 0.12 -0.94 -0.19 0.00 0.00 0.00 0.00 53.44 52.44 1rqt n ALA 13 Cb 0.30 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 2.72 0.77 0.00 -1.94 -1.19 -5.10 119.30 112.05 1rqt s MET 14 Ca -0.08 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 52.75 1rqt s MET 14 Cb 0.06 -2.65 0.05 0.00 2.01 0.00 0.00 34.83 34.30 1rqt s MET 14 CO 0.66 -0.45 1.09 -1.54 -0.01 0.00 0.00 175.02 174.77 1rqt s SER 15 N -4.38 4.80 0.22 3.03 1.04 -1.26 -4.90 113.70 112.25 1rqt s SER 15 Ca 0.56 1.29 -0.08 0.00 0.48 0.00 0.00 55.95 58.20 1rqt s SER 15 Cb -0.10 -2.05 0.30 0.00 0.10 0.00 0.00 66.02 64.27 1rqt s SER 15 CO 0.35 -1.77 1.79 0.58 0.98 0.00 0.00 173.24 175.17 1rqt h VAL 16 N -0.95 0.91 -0.66 5.02 2.07 -1.99 -1.09 116.25 119.56 1rqt h VAL 16 Ca -0.46 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1rqt h VAL 16 Cb 1.26 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 1rqt h VAL 16 CO 0.60 0.12 0.21 0.24 0.02 0.00 0.00 177.57 178.76 1rqt h MET 17 N 0.66 0.35 -0.20 1.57 2.86 -1.99 0.29 114.93 118.46 1rqt h MET 17 Ca 0.33 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1rqt h MET 17 Cb 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1rqt h MET 17 CO -0.23 0.23 0.06 0.22 1.06 0.00 0.00 176.91 178.25 1rqt h ASP 18 N 0.36 0.25 0.93 1.22 1.82 -1.57 -0.08 116.42 119.35 1rqt h ASP 18 Ca 0.35 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.78 1rqt h ASP 18 Cb 0.51 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 1rqt h ASP 18 CO -0.38 0.25 -0.92 0.58 -1.61 0.00 0.00 179.24 177.16 1rqt h VAL 19 N 0.28 1.65 0.00 2.25 2.07 -0.14 -1.74 116.25 120.62 1rqt h VAL 19 Ca 0.07 -3.15 -0.00 0.00 0.82 0.00 0.00 66.70 64.44 1rqt h VAL 19 Cb 0.10 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1rqt h VAL 19 CO -0.00 0.90 -0.00 0.58 0.02 0.00 0.00 177.57 179.06 1rqt h VAL 20 N 0.00 1.38 -0.32 2.57 2.07 0.70 -0.94 116.25 121.72 1rqt h VAL 20 Ca -0.01 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1rqt h VAL 20 Cb 1.63 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 1rqt h VAL 20 CO 0.12 0.30 0.18 -0.33 0.02 0.00 0.00 177.57 177.86 1rqt h GLU 21 N -0.49 0.43 0.36 1.57 4.39 -1.11 0.86 114.58 120.60 1rqt h GLU 21 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1rqt h GLU 21 Cb 0.49 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1rqt h GLU 21 CO 0.00 0.35 -0.30 1.25 -1.16 0.00 0.00 179.01 179.15 1rqt h LEU 22 N 0.40 -0.79 -1.00 1.33 5.85 -1.33 0.10 115.31 119.86 1rqt h LEU 22 Ca 0.11 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.08 1rqt h LEU 22 Cb 0.03 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 1rqt h LEU 22 CO -0.02 -0.42 0.61 0.40 -0.34 0.00 0.00 178.44 178.67 1rqt h ILE 23 N -0.64 0.69 -0.86 4.05 1.08 -1.13 0.26 117.51 120.96 1rqt h ILE 23 Ca -0.05 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1rqt h ILE 23 Cb 0.54 -0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1rqt h ILE 23 CO -0.00 0.14 0.43 0.28 -0.69 0.00 0.00 178.15 178.31 1rqt h SER 24 N 0.75 1.11 0.72 1.72 0.02 -0.32 -0.42 113.55 117.12 1rqt h SER 24 Ca 0.58 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1rqt h SER 24 Cb 0.92 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.18 1rqt h SER 24 CO -0.39 0.92 -0.35 0.00 -1.14 0.00 0.00 176.83 175.87 1rqt h ALA 25 N 1.25 -1.20 -0.81 3.77 0.00 0.21 -2.59 119.26 119.89 1rqt h ALA 25 Ca 0.30 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1rqt h ALA 25 Cb 0.09 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1rqt h ALA 25 CO -0.04 -1.13 0.36 0.52 0.00 0.00 0.00 179.25 178.95 1rqt h MET 26 N -1.01 0.48 -0.61 0.00 2.07 -1.31 0.32 114.93 114.86 1rqt h MET 26 Ca -0.10 -0.03 0.13 0.00 -2.07 0.00 0.00 59.70 57.63 1rqt h MET 26 Cb 0.74 -0.11 -0.10 0.00 -1.87 0.00 0.00 31.60 30.26 1rqt h MET 26 CO 0.16 0.32 0.01 0.93 1.07 0.00 0.00 176.91 179.41 1rqt h GLU 27 N 0.50 0.13 0.01 1.72 5.08 -0.93 0.16 114.58 121.24 1rqt h GLU 27 Ca 0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1rqt h GLU 27 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1rqt h GLU 27 CO -0.41 0.08 -0.00 1.49 -1.00 0.00 0.00 179.01 179.17 1rqt h GLU 28 N 0.13 -0.01 -0.02 2.33 4.81 -0.72 -0.93 114.58 120.17 1rqt h GLU 28 Ca 0.32 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1rqt h GLU 28 Cb 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1rqt h GLU 28 CO -0.52 0.80 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.19 1rqt h LYS 29 N -0.95 -0.17 0.00 1.92 3.64 -0.14 -0.48 116.57 120.39 1rqt h LYS 29 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rqt h LYS 29 Cb 0.82 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1rqt h LYS 29 CO 0.00 -0.11 0.00 1.19 -2.27 0.00 0.00 179.45 178.26 1rqt n PHE 30 N -3.34 0.00 -4.19 1.91 3.72 0.54 -4.87 117.46 111.23 1rqt n PHE 30 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 1rqt n PHE 30 Cb 0.11 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.59 -0.41 2.45 1.37 0.00 -0.19 -4.87 105.19 104.13 1rqt n GLY 31 Ca 0.08 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 1.74 -2.27 1.61 0.31 -0.98 -4.93 118.33 109.43 1rqt n VAL 32 Ca 0.01 -5.02 -0.39 0.00 -0.01 0.00 0.00 64.34 58.93 1rqt n VAL 32 Cb 0.52 -1.83 0.03 0.00 -0.91 0.00 0.00 33.84 31.65 1rqt n VAL 32 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1rqt n SER 33 N 0.72 7.25 0.00 4.52 3.41 -1.26 -4.72 113.62 123.53 1rqt n SER 33 Ca 0.28 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1rqt n SER 33 Cb 0.45 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1rqt n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqt n ALA 34 N -0.33 0.00 -2.71 7.33 0.00 -1.26 -5.10 120.51 118.44 1rqt n ALA 34 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.89 1rqt n ALA 34 Cb 0.27 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 -2.66 -1.33 0.00 0.00 -1.26 -5.15 120.51 110.11 1rqt n ALA 35 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 53.44 52.35 1rqt n ALA 35 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.11 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 -2.42 -0.54 0.00 0.00 -1.26 -5.26 120.51 113.08 1rqt n ALA 36 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1rqt n ALA 36 Cb 0.64 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50