#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ALA 3 N 0.00 -3.25 -1.45 -1.39 0.00 -1.26 -4.75 120.51 108.40 2pdd n ALA 3 Ca 0.00 0.70 -0.35 0.00 0.00 0.00 0.00 53.44 53.79 2pdd n ALA 3 Cb 0.00 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.20 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pdd s MET 4 N -4.24 2.24 1.21 0.00 -1.94 -1.26 -4.97 119.30 110.35 2pdd s MET 4 Ca 0.00 1.85 -0.15 0.00 -1.71 0.00 0.00 55.69 55.68 2pdd s MET 4 Cb 0.00 -1.83 0.30 0.00 2.01 0.00 0.00 34.83 35.30 2pdd s MET 4 CO 0.00 -1.78 1.01 -1.25 -0.01 0.00 0.00 175.02 172.99 2pdd s PRO 5 N -3.75 -1.30 0.00 2.03 0.04 -1.26 -3.05 135.00 127.71 2pdd s PRO 5 Ca 0.77 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2pdd s PRO 5 Cb -0.31 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2pdd s PRO 5 CO 0.44 -3.91 0.00 0.43 0.04 0.00 0.00 177.00 173.99 2pdd n SER 6 N -5.01 0.00 -0.03 6.66 7.64 -1.26 -4.73 113.62 116.89 2pdd n SER 6 Ca 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 2pdd n SER 6 Cb 0.56 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.00 0.00 -0.91 0.44 2.07 -1.91 -3.25 116.25 112.69 2pdd h VAL 7 Ca 0.00 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2pdd h VAL 7 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2pdd h VAL 7 CO 0.00 0.00 0.56 -0.09 0.02 0.00 0.00 177.57 178.06 2pdd h ARG 8 N -0.49 1.22 -0.82 1.57 2.43 -1.85 -2.38 114.38 114.07 2pdd h ARG 8 Ca 0.00 -0.10 0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2pdd h ARG 8 Cb 0.06 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 29.26 2pdd h ARG 8 CO 0.00 0.84 0.42 0.87 -1.51 0.00 0.00 179.97 180.60 2pdd h LYS 9 N 1.25 0.62 -0.10 0.20 1.57 -1.93 -0.54 116.57 117.63 2pdd h LYS 9 Ca 0.33 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2pdd h LYS 9 Cb -0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2pdd h LYS 9 CO -0.06 0.41 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.27 2pdd h TYR 10 N 0.64 -0.09 -0.76 -1.35 3.20 -1.46 -1.64 116.97 115.52 2pdd h TYR 10 Ca 0.43 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.47 2pdd h TYR 10 Cb 0.56 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.78 2pdd h TYR 10 CO -0.09 -0.06 0.24 0.00 -1.64 0.00 0.00 178.16 176.60 2pdd h ALA 11 N 1.08 1.03 -0.41 1.82 0.00 -1.06 -0.25 119.26 121.48 2pdd h ALA 11 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pdd h ALA 11 Cb 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pdd h ALA 11 CO -0.12 -0.30 0.26 0.00 0.00 0.00 0.00 179.25 179.09 2pdd h ARG 12 N 0.33 0.55 -0.26 0.00 3.08 -0.54 0.55 114.38 118.10 2pdd h ARG 12 Ca 0.43 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.50 2pdd h ARG 12 Cb 0.72 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 2pdd h ARG 12 CO -0.48 0.39 -0.18 0.93 -1.07 0.00 0.00 179.97 179.56 2pdd h GLU 13 N 0.55 -0.16 -0.00 0.04 5.08 -0.16 0.35 114.58 120.27 2pdd h GLU 13 Ca 0.15 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2pdd h GLU 13 Cb -0.03 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2pdd h GLU 13 CO -0.03 -0.11 -0.06 1.63 -1.00 0.00 0.00 179.01 179.45 2pdd n LYS 14 N -5.34 0.15 -2.19 2.33 5.02 -0.94 -4.96 118.16 112.24 2pdd n LYS 14 Ca -0.00 -0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.25 2pdd n LYS 14 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2pdd n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pdd n GLY 15 N 1.43 -0.88 2.93 0.72 0.00 0.18 -5.07 105.19 104.50 2pdd n GLY 15 Ca 0.09 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.33 -0.13 -0.63 1.61 1.01 -0.12 -4.99 120.40 114.81 2pdd s VAL 16 Ca 0.06 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 2pdd s VAL 16 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 2pdd s VAL 16 CO 0.36 0.10 1.68 -0.62 0.00 0.00 0.00 175.10 176.61 2pdd s ASP 17 N 1.59 5.58 0.35 3.32 -1.08 -1.26 -4.54 116.67 120.62 2pdd s ASP 17 Ca -0.05 0.17 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 2pdd s ASP 17 Cb -0.12 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.94 2pdd s ASP 17 CO -0.07 -2.17 1.60 -0.29 0.52 0.00 0.00 175.17 174.76 2pdd h ILE 18 N 6.63 0.08 -0.21 4.11 2.10 -1.95 0.89 117.51 129.16 2pdd h ILE 18 Ca -0.27 -0.02 0.06 0.00 1.08 0.00 0.00 64.86 65.70 2pdd h ILE 18 Cb 1.13 -0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.79 2pdd h ILE 18 CO 1.22 0.01 -0.23 -0.09 -1.08 0.00 0.00 178.15 177.99 2pdd h ARG 19 N 0.07 -0.24 -0.19 2.19 9.65 -1.91 -0.98 114.38 122.96 2pdd h ARG 19 Ca 0.76 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.71 2pdd h ARG 19 Cb 1.85 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.48 2pdd h ARG 19 CO -0.77 -0.16 0.15 -0.07 2.80 0.00 0.00 179.97 181.92 2pdd h LEU 20 N -0.25 0.00 -9.91 3.80 3.38 -1.22 -3.43 115.31 107.68 2pdd h LEU 20 Ca 0.12 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.55 2pdd h LEU 20 Cb 0.44 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.31 2pdd h LEU 20 CO -0.35 0.00 0.72 0.52 0.09 0.00 0.00 178.44 179.42 2pdd n VAL 21 N -4.33 2.08 -3.18 1.22 0.31 -0.37 -4.95 118.33 109.11 2pdd n VAL 21 Ca 0.02 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.65 2pdd n VAL 21 Cb 0.29 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.28 2pdd n VAL 21 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pdd n GLN 22 N 0.39 0.89 0.00 5.55 7.27 -1.26 -4.51 117.38 125.71 2pdd n GLN 22 Ca 0.02 -3.29 0.00 0.00 0.07 0.00 0.00 57.00 53.80 2pdd n GLN 22 Cb 0.39 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.50 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pdd n GLY 23 N 0.64 1.83 0.13 1.69 0.00 -1.26 -4.83 105.19 103.39 2pdd n GLY 23 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 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 1.36 -1.41 2.61 1.35 -1.94 -3.46 112.91 111.43 2pdd h THR 24 Ca 0.00 -2.58 0.09 0.00 -0.55 0.00 0.00 66.41 63.38 2pdd h THR 24 Cb 0.00 3.08 -0.21 0.00 -1.73 0.00 0.00 68.15 69.29 2pdd h THR 24 CO 0.00 0.75 -0.17 -0.83 -0.25 0.00 0.00 175.52 175.02 2pdd s GLY 25 N -4.58 -0.82 -0.95 5.82 0.00 -1.26 -5.04 107.32 100.49 2pdd s GLY 25 Ca -0.13 2.15 -0.07 0.00 0.00 0.00 0.00 44.72 46.67 2pdd s GLY 25 CO 0.87 3.26 2.67 0.58 0.00 0.00 0.00 173.10 180.48 2pdd n LYS 26 N 5.42 2.58 -0.21 2.90 2.85 -1.26 -3.34 118.16 127.10 2pdd n LYS 26 Ca -0.06 -1.57 0.00 0.00 -1.05 0.00 0.00 58.31 55.63 2pdd n LYS 26 Cb 0.50 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 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 3.53 0.00 0.04 -5.58 0.23 -1.26 -4.96 115.26 107.26 2pdd n ASN 27 Ca 0.55 -0.14 0.01 0.00 -0.53 0.00 0.00 54.58 54.48 2pdd n ASN 27 Cb 0.33 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.10 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdd n GLY 28 N 0.00 -0.32 2.08 4.83 0.00 -1.26 -0.41 105.19 110.11 2pdd n GLY 28 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.43 2.54 -2.81 1.61 5.12 -1.26 -4.77 116.66 115.67 2pdd n ARG 29 Ca -0.00 -3.31 -0.41 0.00 -1.93 0.00 0.00 57.85 52.21 2pdd n ARG 29 Cb 0.28 -2.18 -0.05 0.00 -1.16 0.00 0.00 32.46 29.35 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 -4.11 4.53 0.49 1.55 1.01 0.46 -4.28 120.40 120.05 2pdd s VAL 30 Ca 0.58 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.58 2pdd s VAL 30 Cb 0.47 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2pdd s VAL 30 CO 0.03 0.35 0.62 -0.76 0.00 0.00 0.00 175.10 175.34 2pdd s LEU 31 N -0.13 3.34 0.16 3.92 1.02 -1.26 -4.93 118.68 120.80 2pdd s LEU 31 Ca 0.44 -0.69 -0.00 0.00 0.02 0.00 0.00 54.13 53.90 2pdd s LEU 31 Cb -0.23 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.90 2pdd s LEU 31 CO 0.28 -1.00 1.37 0.50 0.02 0.00 0.00 176.35 177.52 2pdd h LYS 32 N 0.51 0.31 0.00 1.70 3.64 -1.96 -2.50 116.57 118.27 2pdd h LYS 32 Ca -0.36 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 2pdd h LYS 32 Cb 1.28 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2pdd h LYS 32 CO 0.46 0.99 0.00 1.49 -2.27 0.00 0.00 179.45 180.12 2pdd h GLU 33 N 0.18 0.00 0.37 1.90 4.57 -1.95 -1.89 114.58 117.76 2pdd h GLU 33 Ca -0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2pdd h GLU 33 Cb 1.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 2pdd h GLU 33 CO 0.14 0.00 -0.18 0.22 -1.18 0.00 0.00 179.01 178.01 2pdd h ASP 34 N 0.00 -0.42 0.32 1.04 1.82 -1.76 -2.62 116.42 114.80 2pdd h ASP 34 Ca 0.00 -0.08 -0.17 0.00 -0.39 0.00 0.00 57.03 56.39 2pdd h ASP 34 Cb 0.45 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2pdd h ASP 34 CO 0.00 -0.18 -0.71 0.40 -1.61 0.00 0.00 179.24 177.14 2pdd h ILE 35 N -0.66 1.39 -0.94 2.25 2.04 -1.27 -3.07 117.51 117.26 2pdd h ILE 35 Ca -0.05 -2.15 0.19 0.00 1.00 0.00 0.00 64.86 63.85 2pdd h ILE 35 Cb 0.47 2.12 -0.11 0.00 -0.74 0.00 0.00 36.82 38.56 2pdd h ILE 35 CO 0.08 0.64 0.51 -0.78 0.00 0.00 0.00 178.15 178.61 2pdd h ASP 36 N 0.23 0.61 -0.09 1.72 3.58 -1.25 0.32 116.42 121.53 2pdd h ASP 36 Ca -0.02 0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 2pdd h ASP 36 Cb 1.27 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2pdd h ASP 36 CO 0.12 0.18 -0.40 0.00 -2.88 0.00 0.00 179.24 176.27 2pdd h ALA 37 N 1.64 0.82 -0.00 -0.78 0.00 -1.38 -0.13 119.26 119.44 2pdd h ALA 37 Ca 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pdd h ALA 37 Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2pdd h ALA 37 CO -0.42 0.65 -0.00 0.35 0.00 0.00 0.00 179.25 179.83 2pdd h PHE 38 N 0.50 -0.01 0.00 0.00 3.57 -0.29 -3.17 116.94 117.55 2pdd h PHE 38 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pdd h PHE 38 Cb 0.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 2pdd h PHE 38 CO 0.04 -0.00 -0.00 1.25 -2.23 0.00 0.00 178.31 177.37 2pdd h LEU 39 N -0.00 -0.00 -1.67 0.59 7.12 -1.63 -3.47 115.31 116.24 2pdd h LEU 39 Ca 0.00 -0.79 -0.47 0.00 0.13 0.00 0.00 57.88 56.75 2pdd h LEU 39 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2pdd h LEU 39 CO -0.00 0.80 -0.84 0.00 -0.13 0.00 0.00 178.44 178.26 2pdd n ALA 40 N -2.51 -1.86 1.88 1.25 0.00 -0.06 -4.81 120.51 114.40 2pdd n ALA 40 Ca -0.09 -0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.30 2pdd n ALA 40 Cb 0.39 -2.22 0.58 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.74 -0.80 3.37 0.00 0.00 -1.26 -4.61 105.19 100.14 2pdd n GLY 41 Ca -0.23 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 0.88 1.56 0.00 -0.02 0.00 -1.26 -5.28 105.19 101.06 2pdd n GLY 42 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32