#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 5.42 -2.27 0.44 5.41 -1.26 -4.89 119.36 122.21 1rqt n ILE 2 Ca 0.00 -5.88 -0.30 0.00 1.00 0.00 0.00 62.75 57.57 1rqt n ILE 2 Cb 0.00 -1.51 -0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 4.76 0.22 1.39 -4.23 -1.26 -4.96 115.64 107.17 1rqt s THR 3 Ca 0.41 0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 61.53 1rqt s THR 3 Cb 0.21 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.38 1rqt s THR 3 CO -0.14 -0.93 1.79 0.11 -0.54 0.00 0.00 174.62 174.91 1rqt h LYS 4 N 0.17 0.62 -0.59 3.99 6.56 -2.00 -1.22 116.57 124.09 1rqt h LYS 4 Ca -0.46 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1rqt h LYS 4 Cb 1.19 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 32.68 1rqt h LYS 4 CO 0.62 0.41 0.38 -0.44 -2.06 0.00 0.00 179.45 178.36 1rqt h ASP 5 N 0.64 0.68 -0.62 0.86 5.19 -1.99 -0.89 116.42 120.28 1rqt h ASP 5 Ca 0.32 -0.02 0.18 0.00 -0.62 0.00 0.00 57.03 56.89 1rqt h ASP 5 Cb 0.28 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1rqt h ASP 5 CO -0.23 0.50 0.47 1.56 -3.12 0.00 0.00 179.24 178.42 1rqt h GLN 6 N 0.79 0.00 0.06 3.56 1.08 -1.57 0.39 115.11 119.42 1rqt h GLN 6 Ca 0.21 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.17 1rqt h GLN 6 Cb -0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1rqt h GLN 6 CO -0.05 0.00 -1.07 0.82 -0.95 0.00 0.00 178.83 177.59 1rqt h ILE 7 N 0.00 1.48 -0.36 2.54 1.08 -0.85 -3.16 117.51 118.23 1rqt h ILE 7 Ca 0.30 -2.80 0.04 0.00 -0.39 0.00 0.00 64.86 62.00 1rqt h ILE 7 Cb 1.23 2.68 -0.04 0.00 -3.07 0.00 0.00 36.82 37.63 1rqt h ILE 7 CO -0.00 0.82 0.15 0.40 -0.69 0.00 0.00 178.15 178.83 1rqt h ILE 8 N 0.13 0.93 0.00 -0.67 2.04 0.21 0.61 117.51 120.75 1rqt h ILE 8 Ca -0.09 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1rqt h ILE 8 Cb 1.75 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1rqt h ILE 8 CO 0.17 0.06 0.00 -0.33 0.00 0.00 0.00 178.15 178.05 1rqt h GLU 9 N 0.31 0.00 0.01 2.37 4.39 -1.46 -1.68 114.58 118.53 1rqt h GLU 9 Ca 0.16 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.63 1rqt h GLU 9 Cb 0.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1rqt h GLU 9 CO -0.15 0.00 -0.92 0.00 -1.16 0.00 0.00 179.01 176.78 1rqt h ALA 10 N 2.07 0.10 0.00 3.43 0.00 -0.86 -2.79 119.26 121.21 1rqt h ALA 10 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1rqt h ALA 10 Cb 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1rqt h ALA 10 CO 0.00 0.58 -0.40 0.28 0.00 0.00 0.00 179.25 179.71 1rqt h VAL 11 N 0.23 1.15 -0.30 0.00 2.07 -0.78 -1.68 116.25 116.93 1rqt h VAL 11 Ca -0.12 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1rqt h VAL 11 Cb 1.59 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1rqt h VAL 11 CO 0.18 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.16 1rqt n ALA 12 N -2.40 2.54 -0.09 1.67 0.00 -0.87 -3.42 120.51 117.94 1rqt n ALA 12 Ca -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 1rqt n ALA 12 Cb 0.46 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 0.39 1.56 -2.12 0.00 0.00 -0.64 -5.00 120.51 114.71 1rqt n ALA 13 Ca 0.11 -1.17 -0.19 0.00 0.00 0.00 0.00 53.44 52.18 1rqt n ALA 13 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.43 2.60 0.71 0.00 -1.94 -1.21 -5.11 119.30 111.93 1rqt s MET 14 Ca -0.09 -1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 52.31 1rqt s MET 14 Cb 0.05 -2.55 0.02 0.00 2.01 0.00 0.00 34.83 34.36 1rqt s MET 14 CO 0.73 -0.35 1.07 -1.54 -0.01 0.00 0.00 175.02 174.92 1rqt s SER 15 N -4.31 5.28 0.19 3.03 1.04 -1.26 -4.90 113.70 112.77 1rqt s SER 15 Ca 0.52 1.42 -0.12 0.00 0.48 0.00 0.00 55.95 58.24 1rqt s SER 15 Cb -0.06 -2.27 0.17 0.00 0.10 0.00 0.00 66.02 63.95 1rqt s SER 15 CO 0.31 -1.48 1.78 0.58 0.98 0.00 0.00 173.24 175.41 1rqt h VAL 16 N -0.75 0.92 -0.55 5.02 2.07 -1.99 -1.80 116.25 119.17 1rqt h VAL 16 Ca -0.45 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1rqt h VAL 16 Cb 1.23 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1rqt h VAL 16 CO 0.59 0.09 0.27 0.24 0.02 0.00 0.00 177.57 178.78 1rqt h MET 17 N 0.49 0.49 0.00 1.57 2.86 -1.99 0.15 114.93 118.50 1rqt h MET 17 Ca 0.24 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1rqt h MET 17 Cb 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1rqt h MET 17 CO -0.19 0.32 -0.06 0.22 1.06 0.00 0.00 176.91 178.27 1rqt h ASP 18 N 0.51 0.00 1.04 1.22 1.82 -1.72 -0.64 116.42 118.64 1rqt h ASP 18 Ca 0.25 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.71 1rqt h ASP 18 Cb 0.19 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1rqt h ASP 18 CO -0.19 0.06 -1.00 0.58 -1.61 0.00 0.00 179.24 177.08 1rqt h VAL 19 N 0.00 1.18 -0.51 2.25 2.07 -0.08 -2.82 116.25 118.34 1rqt h VAL 19 Ca -0.00 -2.77 -0.11 0.00 0.82 0.00 0.00 66.70 64.63 1rqt h VAL 19 Cb 0.13 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1rqt h VAL 19 CO 0.01 0.67 -0.12 0.58 0.02 0.00 0.00 177.57 178.73 1rqt h VAL 20 N 0.00 1.27 -0.16 2.57 2.07 0.67 -0.28 116.25 122.40 1rqt h VAL 20 Ca -0.07 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 1rqt h VAL 20 Cb 1.66 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1rqt h VAL 20 CO 0.09 0.44 -0.02 -0.33 0.02 0.00 0.00 177.57 177.77 1rqt h GLU 21 N 0.86 0.29 0.35 1.57 4.39 -1.44 0.76 114.58 121.36 1rqt h GLU 21 Ca 0.13 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1rqt h GLU 21 Cb 0.67 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1rqt h GLU 21 CO 0.05 0.55 -0.47 1.25 -1.16 0.00 0.00 179.01 179.24 1rqt h LEU 22 N 0.01 -1.32 -1.17 1.33 5.85 -1.36 0.77 115.31 119.43 1rqt h LEU 22 Ca 0.04 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1rqt h LEU 22 Cb 0.44 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1rqt h LEU 22 CO 0.01 -0.57 0.58 0.40 -0.34 0.00 0.00 178.44 178.52 1rqt h ILE 23 N -0.84 1.01 -0.81 4.05 2.04 -1.07 -0.29 117.51 121.60 1rqt h ILE 23 Ca -0.04 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1rqt h ILE 23 Cb 0.76 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1rqt h ILE 23 CO -0.12 0.17 0.53 0.28 0.00 0.00 0.00 178.15 179.01 1rqt h SER 24 N 0.95 0.94 0.47 1.72 0.02 -0.21 0.65 113.55 118.09 1rqt h SER 24 Ca 0.40 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1rqt h SER 24 Cb 0.32 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1rqt h SER 24 CO -0.17 0.69 -0.26 0.00 -1.14 0.00 0.00 176.83 175.96 1rqt h ALA 25 N 1.29 -0.68 -0.74 3.77 0.00 0.91 -2.34 119.26 121.48 1rqt h ALA 25 Ca 0.30 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1rqt h ALA 25 Cb -0.11 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1rqt h ALA 25 CO -0.06 -0.89 0.39 0.52 0.00 0.00 0.00 179.25 179.20 1rqt h MET 26 N -0.68 0.63 -0.57 0.00 2.07 -1.11 0.30 114.93 115.58 1rqt h MET 26 Ca -0.06 -0.04 0.12 0.00 -2.07 0.00 0.00 59.70 57.65 1rqt h MET 26 Cb 0.55 -0.14 -0.10 0.00 -1.87 0.00 0.00 31.60 30.03 1rqt h MET 26 CO 0.08 0.42 -0.07 0.93 1.07 0.00 0.00 176.91 179.33 1rqt h GLU 27 N 0.65 0.05 -0.00 1.72 5.08 -0.48 0.32 114.58 121.93 1rqt h GLU 27 Ca 0.36 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 1rqt h GLU 27 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1rqt h GLU 27 CO -0.26 0.03 -0.12 1.49 -1.00 0.00 0.00 179.01 179.15 1rqt h GLU 28 N 0.05 0.08 0.06 2.33 4.81 -0.82 0.17 114.58 121.26 1rqt h GLU 28 Ca 0.28 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1rqt h GLU 28 Cb 0.44 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1rqt h GLU 28 CO -0.54 0.85 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.25 1rqt h LYS 29 N -0.65 -0.19 0.00 1.92 3.64 0.03 -1.03 116.57 120.29 1rqt h LYS 29 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rqt h LYS 29 Cb 0.89 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1rqt h LYS 29 CO 0.02 -0.13 0.00 1.19 -2.27 0.00 0.00 179.45 178.26 1rqt n PHE 30 N -3.14 0.00 -4.09 1.91 3.72 0.11 -4.88 117.46 111.10 1rqt n PHE 30 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 1rqt n PHE 30 Cb 0.10 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.26 2.46 1.37 0.00 -0.09 -4.89 105.19 104.27 1rqt n GLY 31 Ca 0.15 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.50 1.72 -3.45 1.61 0.31 -0.40 -4.95 118.33 108.67 1rqt n VAL 32 Ca -0.30 -5.01 -0.30 0.00 -0.01 0.00 0.00 64.34 58.72 1rqt n VAL 32 Cb 0.68 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.70 4.10 -3.17 4.52 3.41 -1.26 -4.81 113.62 117.11 1rqt n SER 33 Ca 0.28 -3.38 -0.21 0.00 -0.26 0.00 0.00 58.87 55.29 1rqt n SER 33 Cb 0.45 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.55 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 1.19 2.12 -2.73 7.33 0.00 -1.26 -4.84 120.51 122.32 1rqt n ALA 34 Ca 0.27 -3.32 -0.05 0.00 0.00 0.00 0.00 53.44 50.34 1rqt n ALA 34 Cb 0.39 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 0.99 -2.34 -3.57 0.00 0.00 -1.26 -4.98 120.51 109.36 1rqt n ALA 35 Ca 0.22 -0.85 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 1rqt n ALA 35 Cb 0.58 -2.04 0.05 0.00 0.00 0.00 0.00 19.45 18.04 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 2.21 -2.52 0.02 0.00 0.00 -1.26 -5.29 120.51 113.66 1rqt n ALA 36 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rqt n ALA 36 Cb 0.62 -4.55 0.01 0.00 0.00 0.00 0.00 19.45 15.54 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50