#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ILE 2 N 0.00 0.75 -1.93 1.55 2.08 -1.26 -4.76 119.36 115.79 2pdd n ILE 2 Ca 0.00 -0.28 -0.40 0.00 0.56 0.00 0.00 62.75 62.63 2pdd n ILE 2 Cb 0.00 -0.67 -0.01 0.00 -0.75 0.00 0.00 39.64 38.21 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pdd n ALA 3 N -3.09 6.72 0.09 -1.39 0.00 -1.26 -4.45 120.51 117.12 2pdd n ALA 3 Ca 0.08 -4.02 0.02 0.00 0.00 0.00 0.00 53.44 49.52 2pdd n ALA 3 Cb 0.52 -2.91 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 2pdd n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pdd n MET 4 N 2.37 2.27 0.00 0.00 0.00 -1.26 -2.76 117.12 117.73 2pdd n MET 4 Ca 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 58.29 2pdd n MET 4 Cb 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 33.22 32.52 2pdd n MET 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2pdd n PRO 5 N -1.44 0.00 -1.24 3.17 -0.04 -1.26 -4.72 135.00 129.46 2pdd n PRO 5 Ca -0.00 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2pdd n PRO 5 Cb 0.10 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 2pdd n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2pdd n SER 6 N -1.99 0.31 -0.08 3.54 2.88 -1.26 -4.90 113.62 112.12 2pdd n SER 6 Ca 0.00 -1.96 -0.07 0.00 -1.33 0.00 0.00 58.87 55.50 2pdd n SER 6 Cb 0.00 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2pdd n VAL 7 N 0.30 1.40 -0.31 2.46 0.31 -1.26 -4.11 118.33 117.12 2pdd n VAL 7 Ca -0.05 0.18 -0.04 0.00 -0.01 0.00 0.00 64.34 64.42 2pdd n VAL 7 Cb 0.96 -2.32 0.09 0.00 -0.91 0.00 0.00 33.84 31.66 2pdd n VAL 7 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2pdd h ARG 8 N -0.95 1.21 -0.99 5.55 2.43 -1.86 -2.42 114.38 117.35 2pdd h ARG 8 Ca 0.00 -0.17 0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2pdd h ARG 8 Cb 0.81 -0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2pdd h ARG 8 CO 0.00 0.92 0.62 0.87 -1.51 0.00 0.00 179.97 180.87 2pdd h LYS 9 N 1.21 0.94 -0.33 0.20 1.57 -1.84 -0.44 116.57 117.88 2pdd h LYS 9 Ca 0.29 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2pdd h LYS 9 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2pdd h LYS 9 CO -0.04 0.63 0.19 -0.92 -0.57 0.00 0.00 179.45 178.73 2pdd h TYR 10 N 0.97 0.35 -0.78 -1.35 5.03 -1.59 -1.91 116.97 117.68 2pdd h TYR 10 Ca 0.49 0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.99 2pdd h TYR 10 Cb 0.49 -0.11 -0.11 0.00 1.55 0.00 0.00 36.73 38.55 2pdd h TYR 10 CO -0.01 0.20 0.25 0.00 -1.32 0.00 0.00 178.16 177.28 2pdd h ALA 11 N 1.16 1.09 -0.30 1.82 0.00 -1.01 -0.00 119.26 122.02 2pdd h ALA 11 Ca 0.13 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2pdd h ALA 11 Cb 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2pdd h ALA 11 CO -0.07 -0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.05 2pdd h ARG 12 N 0.32 0.38 -0.92 0.00 3.08 -0.94 0.71 114.38 117.01 2pdd h ARG 12 Ca 0.45 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.66 2pdd h ARG 12 Cb 0.79 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.65 2pdd h ARG 12 CO -0.51 0.25 0.49 0.93 -1.07 0.00 0.00 179.97 180.07 2pdd h GLU 13 N 0.39 0.61 0.00 0.04 5.08 -0.56 0.20 114.58 120.34 2pdd h GLU 13 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pdd h GLU 13 Cb -0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2pdd h GLU 13 CO -0.04 0.40 -0.53 0.87 -1.00 0.00 0.00 179.01 178.71 2pdd h LYS 14 N 0.62 0.00 -0.13 2.33 1.79 -0.95 -3.48 116.57 116.76 2pdd h LYS 14 Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2pdd h LYS 14 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2pdd h LYS 14 CO -0.41 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 2pdd n GLY 15 N 1.16 0.70 3.75 3.86 0.00 0.23 -5.06 105.19 109.83 2pdd n GLY 15 Ca 0.02 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2pdd n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pdd s VAL 16 N -2.13 4.56 -0.52 1.61 1.01 0.09 -4.98 120.40 120.04 2pdd s VAL 16 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2pdd s VAL 16 Cb 0.00 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.36 2pdd s VAL 16 CO 0.00 0.35 0.75 -0.62 0.00 0.00 0.00 175.10 175.58 2pdd s ASP 17 N -1.70 6.27 0.35 3.32 -1.08 -1.26 -4.37 116.67 118.19 2pdd s ASP 17 Ca 0.22 -0.69 0.15 0.00 -0.52 0.00 0.00 52.55 51.70 2pdd s ASP 17 Cb -0.12 -2.35 1.14 0.00 -1.46 0.00 0.00 42.92 40.14 2pdd s ASP 17 CO 0.13 -1.03 1.59 -0.29 0.52 0.00 0.00 175.17 176.10 2pdd h ILE 18 N 5.92 0.07 0.06 4.11 2.10 -1.95 0.18 117.51 128.00 2pdd h ILE 18 Ca -0.27 -0.02 0.02 0.00 1.08 0.00 0.00 64.86 65.67 2pdd h ILE 18 Cb 1.09 -0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.77 2pdd h ILE 18 CO 1.01 0.01 -0.42 -0.09 -1.08 0.00 0.00 178.15 177.59 2pdd h ARG 19 N 0.06 -0.59 -0.76 2.19 2.43 -1.91 -1.05 114.38 114.75 2pdd h ARG 19 Ca 0.76 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 60.19 2pdd h ARG 19 Cb 1.88 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 31.53 2pdd h ARG 19 CO -0.77 -0.39 0.54 -0.07 -1.51 0.00 0.00 179.97 177.76 2pdd h LEU 20 N -0.61 0.02-10.00 3.80 3.38 -1.37 -3.42 115.31 107.11 2pdd h LEU 20 Ca 0.03 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.46 2pdd h LEU 20 Cb 0.67 -0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.53 2pdd h LEU 20 CO -0.28 0.01 0.66 -0.69 0.09 0.00 0.00 178.44 178.23 2pdd s VAL 21 N -5.01 2.17 -0.34 1.22 1.01 -0.40 -4.95 120.40 114.09 2pdd s VAL 21 Ca -0.05 0.15 0.16 0.00 0.00 0.00 0.00 61.98 62.23 2pdd s VAL 21 Cb 0.21 -3.08 0.42 0.00 0.00 0.00 0.00 36.38 33.93 2pdd s VAL 21 CO 0.76 0.02 0.94 0.00 0.00 0.00 0.00 175.10 176.81 2pdd n GLN 22 N -0.34 1.10 0.00 2.72 6.02 -1.26 -4.41 117.38 121.21 2pdd n GLN 22 Ca 0.06 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 2pdd n GLN 22 Cb 0.43 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.44 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pdd n GLY 23 N -0.01 -0.07 0.15 1.08 0.00 -1.26 -4.73 105.19 100.35 2pdd n GLY 23 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2pdd n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pdd h THR 24 N 0.00 1.40 -1.95 2.61 1.35 -1.94 -3.45 112.91 110.92 2pdd h THR 24 Ca 0.00 -1.96 0.07 0.00 -0.55 0.00 0.00 66.41 63.97 2pdd h THR 24 Cb 0.00 2.43 -0.20 0.00 -1.73 0.00 0.00 68.15 68.64 2pdd h THR 24 CO 0.00 0.58 -0.08 -0.83 -0.25 0.00 0.00 175.52 174.94 2pdd s GLY 25 N -4.00 -0.68 0.00 5.82 0.00 -1.24 -5.02 107.32 102.20 2pdd s GLY 25 Ca -0.13 2.40 -0.00 0.00 0.00 0.00 0.00 44.72 46.99 2pdd s GLY 25 CO 0.82 2.95 1.70 0.58 0.00 0.00 0.00 173.10 179.15 2pdd n LYS 26 N 5.20 0.85 0.00 2.90 2.85 -1.26 -2.71 118.16 125.99 2pdd n LYS 26 Ca -0.13 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2pdd n LYS 26 Cb 0.51 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pdd n ASN 27 N 1.59 0.00 0.00 -5.58 6.94 -1.26 -4.92 115.26 112.03 2pdd n ASN 27 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 2pdd n ASN 27 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pdd n GLY 28 N 0.00 -0.27 1.97 4.83 0.00 -1.26 -0.34 105.19 110.12 2pdd n GLY 28 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2pdd n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pdd n ARG 29 N -1.25 2.46 -2.85 1.61 5.12 -1.26 -3.99 116.66 116.50 2pdd n ARG 29 Ca 0.00 -3.06 -0.41 0.00 -1.93 0.00 0.00 57.85 52.45 2pdd n ARG 29 Cb 0.17 -2.12 -0.04 0.00 -1.16 0.00 0.00 32.46 29.31 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pdd s VAL 30 N -3.23 4.93 0.54 1.55 1.01 0.54 -3.61 120.40 122.13 2pdd s VAL 30 Ca 0.54 1.77 0.09 0.00 0.00 0.00 0.00 61.98 64.39 2pdd s VAL 30 Cb 0.46 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2pdd s VAL 30 CO 0.09 0.16 0.74 -0.76 0.00 0.00 0.00 175.10 175.33 2pdd s LEU 31 N 1.22 3.22 0.15 3.92 1.02 -1.26 -4.81 118.68 122.14 2pdd s LEU 31 Ca 0.44 -0.76 -0.04 0.00 0.02 0.00 0.00 54.13 53.80 2pdd s LEU 31 Cb -0.19 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 2pdd s LEU 31 CO 0.21 -1.21 1.37 0.50 0.02 0.00 0.00 176.35 177.23 2pdd h LYS 32 N 0.28 0.46 0.00 1.70 3.64 -1.96 -2.55 116.57 118.15 2pdd h LYS 32 Ca -0.32 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 2pdd h LYS 32 Cb 1.29 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2pdd h LYS 32 CO 0.42 1.06 0.00 0.39 -2.27 0.00 0.00 179.45 179.05 2pdd n GLU 33 N -3.82 0.18 0.07 1.90 -0.58 -1.26 -3.13 120.64 114.00 2pdd n GLU 33 Ca -0.06 0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 2pdd n GLU 33 Cb 0.76 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2pdd h ASP 34 N 0.00 -0.16 0.47 1.62 1.82 -1.77 -2.92 116.42 115.49 2pdd h ASP 34 Ca 0.00 -0.25 -0.18 0.00 -0.39 0.00 0.00 57.03 56.21 2pdd h ASP 34 Cb 0.32 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2pdd h ASP 34 CO 0.00 0.17 -0.79 0.40 -1.61 0.00 0.00 179.24 177.41 2pdd h ILE 35 N -0.50 1.45 -0.95 2.25 2.04 -1.48 -3.05 117.51 117.28 2pdd h ILE 35 Ca -0.02 -2.38 0.16 0.00 1.00 0.00 0.00 64.86 63.62 2pdd h ILE 35 Cb 0.39 2.30 -0.10 0.00 -0.74 0.00 0.00 36.82 38.67 2pdd h ILE 35 CO 0.03 0.70 0.55 0.44 0.00 0.00 0.00 178.15 179.88 2pdd h ASP 36 N 0.15 0.72 0.35 1.72 5.19 -1.53 0.22 116.42 123.24 2pdd h ASP 36 Ca -0.03 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 2pdd h ASP 36 Cb 1.38 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 2pdd h ASP 36 CO 0.12 0.29 -0.59 0.00 -3.12 0.00 0.00 179.24 175.94 2pdd h ALA 37 N 1.60 0.85 -0.16 3.45 0.00 -1.45 -2.59 119.26 120.96 2pdd h ALA 37 Ca 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pdd h ALA 37 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pdd h ALA 37 CO -0.36 0.72 0.00 0.34 0.00 0.00 0.00 179.25 179.95 2pdd n PHE 38 N -3.88 0.00 0.23 0.00 7.35 0.78 -1.37 117.46 120.57 2pdd n PHE 38 Ca -0.02 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.77 2pdd n PHE 38 Cb 0.61 -0.47 0.56 0.00 0.35 0.00 0.00 39.48 40.53 2pdd n PHE 38 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pdd h LEU 39 N 0.00 0.00 0.79 -2.13 5.85 -1.66 -3.45 115.31 114.71 2pdd h LEU 39 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2pdd h LEU 39 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2pdd h LEU 39 CO 0.00 0.21 -0.05 0.00 -0.34 0.00 0.00 178.44 178.26 2pdd n ALA 40 N -2.28 -0.04 0.77 1.25 0.00 -0.47 -4.63 120.51 115.09 2pdd n ALA 40 Ca -0.01 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2pdd n ALA 40 Cb 0.35 -0.50 0.21 0.00 0.00 0.00 0.00 19.45 19.51 2pdd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdd n GLY 41 N -0.02 -0.38 0.00 0.00 0.00 -1.26 -3.37 105.19 100.16 2pdd n GLY 41 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2pdd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdd n GLY 42 N -0.18 0.67 0.00 -0.02 0.00 -1.26 -5.24 105.19 99.15 2pdd n GLY 42 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32