#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 5.61 -1.97 2.46 5.41 -1.26 -4.88 119.36 124.74 1rqt n ILE 2 Ca 0.00 -5.79 -0.31 0.00 1.00 0.00 0.00 62.75 57.64 1rqt n ILE 2 Cb 0.00 -1.51 0.00 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 -4.43 4.68 0.22 1.39 -4.23 -1.26 -4.95 115.64 107.06 1rqt s THR 3 Ca 0.41 0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 61.77 1rqt s THR 3 Cb 0.22 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.38 1rqt s THR 3 CO -0.16 -1.07 1.79 0.11 -0.54 0.00 0.00 174.62 174.76 1rqt h LYS 4 N -0.10 0.63 -0.32 3.99 6.56 -2.00 -1.42 116.57 123.91 1rqt h LYS 4 Ca -0.45 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.12 1rqt h LYS 4 Cb 1.19 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.69 1rqt h LYS 4 CO 0.62 0.41 0.19 -0.44 -2.06 0.00 0.00 179.45 178.17 1rqt h ASP 5 N 0.65 0.31 -0.29 0.86 3.32 -1.99 -0.89 116.42 118.39 1rqt h ASP 5 Ca 0.33 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.47 1rqt h ASP 5 Cb 0.29 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1rqt h ASP 5 CO -0.23 0.23 0.29 1.56 -1.72 0.00 0.00 179.24 179.36 1rqt h GLN 6 N 0.39 0.00 0.04 3.56 1.08 -1.61 0.39 115.11 118.95 1rqt h GLN 6 Ca 0.12 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.10 1rqt h GLN 6 Cb -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1rqt h GLN 6 CO -0.05 0.00 -1.04 0.82 -0.95 0.00 0.00 178.83 177.61 1rqt h ILE 7 N 0.00 1.62 -0.06 2.54 1.08 -0.66 -3.14 117.51 118.89 1rqt h ILE 7 Ca 0.14 -3.18 0.02 0.00 -0.39 0.00 0.00 64.86 61.44 1rqt h ILE 7 Cb 0.71 2.81 -0.02 0.00 -3.07 0.00 0.00 36.82 37.25 1rqt h ILE 7 CO -0.00 0.92 -0.04 0.40 -0.69 0.00 0.00 178.15 178.73 1rqt h ILE 8 N 0.03 0.87 0.00 -0.67 1.08 0.34 0.43 117.51 119.60 1rqt h ILE 8 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1rqt h ILE 8 Cb 1.77 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1rqt h ILE 8 CO 0.15 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.28 1rqt h GLU 9 N -0.04 0.00 0.03 2.37 3.07 -1.55 -1.91 114.58 116.55 1rqt h GLU 9 Ca 0.04 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 1rqt h GLU 9 Cb 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1rqt h GLU 9 CO -0.09 0.00 -0.78 0.00 -1.40 0.00 0.00 179.01 176.74 1rqt h ALA 10 N 2.07 0.05 0.00 3.43 0.00 -0.90 -2.93 119.26 120.98 1rqt h ALA 10 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rqt h ALA 10 Cb 0.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rqt h ALA 10 CO 0.00 0.45 0.00 0.28 0.00 0.00 0.00 179.25 179.98 1rqt h VAL 11 N -0.01 0.00 -0.48 0.00 2.07 -0.56 -1.22 116.25 116.06 1rqt h VAL 11 Ca -0.11 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1rqt h VAL 11 Cb 1.49 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1rqt h VAL 11 CO 0.15 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1rqt n ALA 12 N -2.05 2.65 -0.05 1.67 0.00 -0.89 -3.75 120.51 118.08 1rqt n ALA 12 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 1rqt n ALA 12 Cb 0.34 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 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 0.85 1.77 -1.98 0.00 0.00 -0.47 -5.02 120.51 115.67 1rqt n ALA 13 Ca 0.17 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 1rqt n ALA 13 Cb 0.53 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.35 2.13 0.82 0.00 -1.94 -1.18 -5.09 119.30 111.70 1rqt s MET 14 Ca -0.06 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 52.94 1rqt s MET 14 Cb 0.04 -2.39 0.09 0.00 2.01 0.00 0.00 34.83 34.58 1rqt s MET 14 CO 0.50 -1.09 1.11 -1.54 -0.01 0.00 0.00 175.02 174.00 1rqt s SER 15 N -4.57 4.28 0.12 3.03 1.04 -1.26 -4.92 113.70 111.41 1rqt s SER 15 Ca 0.61 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 1rqt s SER 15 Cb -0.08 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 1rqt s SER 15 CO 0.42 -2.09 1.59 0.58 0.98 0.00 0.00 173.24 174.72 1rqt h VAL 16 N -1.17 1.24 -0.37 5.02 2.07 -1.98 -2.28 116.25 118.77 1rqt h VAL 16 Ca -0.48 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.21 1rqt h VAL 16 Cb 1.29 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1rqt h VAL 16 CO 0.61 0.29 0.20 0.24 0.02 0.00 0.00 177.57 178.92 1rqt h MET 17 N 0.43 0.40 -0.80 1.57 2.86 -1.99 0.23 114.93 117.64 1rqt h MET 17 Ca 0.11 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1rqt h MET 17 Cb 0.36 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1rqt h MET 17 CO 0.01 0.26 0.52 0.22 1.06 0.00 0.00 176.91 178.98 1rqt h ASP 18 N 0.41 0.75 0.63 1.22 3.58 -1.91 -0.19 116.42 120.91 1rqt h ASP 18 Ca 0.15 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.41 1rqt h ASP 18 Cb 0.03 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1rqt h ASP 18 CO -0.08 0.48 -0.87 0.58 -2.88 0.00 0.00 179.24 176.47 1rqt h VAL 19 N 0.85 1.51 -0.34 2.25 2.07 -0.72 -2.81 116.25 119.06 1rqt h VAL 19 Ca 0.35 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1rqt h VAL 19 Cb 0.25 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1rqt h VAL 19 CO -0.12 0.77 0.17 0.58 0.02 0.00 0.00 177.57 178.99 1rqt h VAL 20 N 0.09 1.15 -0.66 2.57 2.07 0.11 -0.89 116.25 120.69 1rqt h VAL 20 Ca -0.04 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1rqt h VAL 20 Cb 1.50 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1rqt h VAL 20 CO 0.13 0.16 0.37 -0.33 0.02 0.00 0.00 177.57 177.92 1rqt h GLU 21 N 0.42 0.67 0.17 1.57 4.39 -1.08 0.14 114.58 120.86 1rqt h GLU 21 Ca 0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1rqt h GLU 21 Cb 0.10 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1rqt h GLU 21 CO -0.02 0.45 -0.13 1.25 -1.16 0.00 0.00 179.01 179.40 1rqt h LEU 22 N 0.69 -0.35 -1.15 1.33 6.46 -1.18 0.41 115.31 121.53 1rqt h LEU 22 Ca 0.29 0.02 0.27 0.00 -0.12 0.00 0.00 57.88 58.35 1rqt h LEU 22 Cb 0.16 0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 40.09 1rqt h LEU 22 CO -0.17 -0.19 0.63 0.40 -0.62 0.00 0.00 178.44 178.49 1rqt h ILE 23 N -0.29 0.48 -0.49 4.05 1.08 -1.01 0.60 117.51 121.93 1rqt h ILE 23 Ca -0.02 -0.16 -0.12 0.00 -0.39 0.00 0.00 64.86 64.17 1rqt h ILE 23 Cb 0.24 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 1rqt h ILE 23 CO 0.00 0.08 -0.18 0.28 -0.69 0.00 0.00 178.15 177.65 1rqt h SER 24 N 0.46 1.00 0.53 1.72 0.02 -0.29 -2.05 113.55 114.94 1rqt h SER 24 Ca 0.65 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1rqt h SER 24 Cb 1.46 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1rqt h SER 24 CO -0.43 1.15 -0.32 0.00 -1.14 0.00 0.00 176.83 176.09 1rqt h ALA 25 N 0.93 -1.15 -0.84 3.77 0.00 0.47 -2.38 119.26 120.05 1rqt h ALA 25 Ca 0.12 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1rqt h ALA 25 Cb 0.75 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1rqt h ALA 25 CO 0.06 -1.12 0.35 0.52 0.00 0.00 0.00 179.25 179.05 1rqt h MET 26 N -0.80 0.41 -0.63 0.00 2.07 -1.41 0.34 114.93 114.92 1rqt h MET 26 Ca -0.07 -0.02 0.13 0.00 -2.07 0.00 0.00 59.70 57.66 1rqt h MET 26 Cb 0.64 -0.09 -0.10 0.00 -1.87 0.00 0.00 31.60 30.17 1rqt h MET 26 CO 0.08 0.27 0.03 0.93 1.07 0.00 0.00 176.91 179.29 1rqt h GLU 27 N 0.42 0.14 0.00 1.72 5.08 -1.07 0.24 114.58 121.11 1rqt h GLU 27 Ca 0.49 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1rqt h GLU 27 Cb 0.85 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1rqt h GLU 27 CO -0.48 0.09 -0.00 1.49 -1.00 0.00 0.00 179.01 179.11 1rqt h GLU 28 N 0.14 -0.00 0.00 2.33 4.81 -0.49 0.22 114.58 121.60 1rqt h GLU 28 Ca 0.33 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1rqt h GLU 28 Cb 0.54 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1rqt h GLU 28 CO -0.52 0.87 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.15 1rqt h LYS 29 N -0.96 -0.32 0.00 1.92 3.11 -0.10 0.52 116.57 120.74 1rqt h LYS 29 Ca -0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1rqt h LYS 29 Cb 0.88 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1rqt h LYS 29 CO 0.00 -0.21 0.00 1.19 -2.81 0.00 0.00 179.45 177.62 1rqt n PHE 30 N -3.93 0.00 -3.68 1.91 3.72 0.80 -4.90 117.46 111.39 1rqt n PHE 30 Ca -0.04 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 1rqt n PHE 30 Cb 0.19 -0.31 0.04 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.85 2.34 1.37 0.00 0.17 -4.95 105.19 103.76 1rqt n GLY 31 Ca 0.09 0.40 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.14 -0.28 -3.44 1.61 0.31 0.67 -4.99 118.33 108.07 1rqt n VAL 32 Ca -0.13 -4.06 -0.27 0.00 -0.01 0.00 0.00 64.34 59.87 1rqt n VAL 32 Cb 0.61 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.82 3.48 0.00 4.52 3.41 -1.26 -4.73 113.62 120.86 1rqt n SER 33 Ca 0.25 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.48 1rqt n SER 33 Cb 0.48 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.96 0.00 -2.73 7.33 0.00 -1.26 -5.10 120.51 119.71 1rqt n ALA 34 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1rqt n ALA 34 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.27 -1.52 0.00 0.00 -1.26 -5.13 120.51 110.33 1rqt n ALA 35 Ca 0.00 -0.87 -0.56 0.00 0.00 0.00 0.00 53.44 52.00 1rqt n ALA 35 Cb 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 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 2.28 -2.88 -0.47 0.00 0.00 -1.26 -5.31 120.51 112.86 1rqt n ALA 36 Ca 0.12 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1rqt n ALA 36 Cb 0.62 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1rqt n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50