#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abz h TRP 2 N 0.00 0.06 -0.88 1.24 5.08 -2.05 0.14 115.95 119.53 1abz h TRP 2 Ca 0.00 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.02 1abz h TRP 2 Cb 0.00 -0.02 -0.05 0.00 -3.00 0.00 0.00 29.16 26.09 1abz h TRP 2 CO 0.00 0.02 0.58 -0.07 -1.28 0.00 0.00 178.44 177.69 1abz h LEU 3 N 0.05 0.93 -1.33 0.11 4.07 -2.02 0.18 115.31 117.29 1abz h LEU 3 Ca 0.34 -0.01 0.34 0.00 0.08 0.00 0.00 57.88 58.63 1abz h LEU 3 Cb 1.28 -0.21 -0.12 0.00 1.08 0.00 0.00 40.66 42.70 1abz h LEU 3 CO -0.02 0.63 0.73 0.11 -1.08 0.00 0.00 178.44 178.80 1abz h LYS 4 N 1.07 0.25 -0.13 1.13 1.57 -1.37 1.42 116.57 120.52 1abz h LYS 4 Ca 0.36 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1abz h LYS 4 Cb 0.08 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1abz h LYS 4 CO -0.12 0.17 -0.63 0.00 -0.57 0.00 0.00 179.45 178.30 1abz h ALA 5 N 1.64 0.25 -0.85 3.86 0.00 -1.11 -2.42 119.26 120.63 1abz h ALA 5 Ca 0.70 -0.55 0.24 0.00 0.00 0.00 0.00 54.91 55.31 1abz h ALA 5 Cb 1.96 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1abz h ALA 5 CO -0.39 0.52 0.61 0.00 0.00 0.00 0.00 179.25 179.99 1abz h ARG 6 N 0.31 0.03 0.20 0.00 2.47 0.22 0.34 114.38 117.96 1abz h ARG 6 Ca -0.04 -0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 1abz h ARG 6 Cb 1.27 -0.01 0.02 0.00 -1.65 0.00 0.00 29.97 29.60 1abz h ARG 6 CO 0.13 0.02 -1.62 0.28 0.56 0.00 0.00 179.97 179.34 1abz h VAL 7 N 0.03 1.10 0.39 2.04 2.07 -0.92 -3.20 116.25 117.76 1abz h VAL 7 Ca 0.41 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 1abz h VAL 7 Cb 1.58 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 34.21 1abz h VAL 7 CO -0.02 0.84 -0.30 -0.08 0.02 0.00 0.00 177.57 178.03 1abz h GLU 8 N 0.12 -0.66 -0.22 1.57 4.81 -0.46 0.05 114.58 119.79 1abz h GLU 8 Ca -0.30 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1abz h GLU 8 Cb 2.12 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.64 1abz h GLU 8 CO 0.21 -0.44 0.25 1.96 -0.73 0.00 0.00 179.01 180.26 1abz h GLN 9 N -0.69 0.00 0.33 1.92 4.20 -1.53 0.37 115.11 119.72 1abz h GLN 9 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1abz h GLN 9 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1abz h GLN 9 CO -0.01 0.00 -0.16 1.49 -0.67 0.00 0.00 178.83 179.49 1abz h GLU 10 N 0.00 -0.43 0.00 1.46 4.81 -1.01 -3.14 114.58 116.27 1abz h GLU 10 Ca 0.10 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1abz h GLU 10 Cb 0.61 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1abz h GLU 10 CO -0.00 -0.28 0.00 1.47 -0.73 0.00 0.00 179.01 179.46 1abz n LEU 11 N -3.84 0.00 0.08 1.64 -0.00 -0.72 -3.50 117.00 110.66 1abz n LEU 11 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.87 1abz n LEU 11 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.54 1abz n LEU 11 CO 0.13 0.00 0.28 1.56 -0.00 0.00 0.00 177.39 179.36 1abz h GLN 12 N 0.00 -0.27 0.00 1.47 4.20 -0.22 -2.25 115.11 118.04 1abz h GLN 12 Ca 0.00 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1abz h GLN 12 Cb 0.00 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1abz h GLN 12 CO 0.00 0.04 -0.64 0.00 -0.67 0.00 0.00 178.83 177.56 1abz h ALA 13 N -0.67 0.90 0.48 3.87 0.00 -1.65 -1.73 119.26 120.47 1abz h ALA 13 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1abz h ALA 13 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1abz h ALA 13 CO 0.05 0.79 -0.23 -0.07 0.00 0.00 0.00 179.25 179.79 1abz h LEU 14 N 0.00 -0.55 -0.87 0.00 -0.00 -1.65 -2.94 115.31 109.30 1abz h LEU 14 Ca -0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1abz h LEU 14 Cb 1.16 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1abz h LEU 14 CO 0.08 -0.16 0.00 -0.08 -0.00 0.00 0.00 178.44 178.28 1abz h GLU 15 N -1.01 0.00 0.00 1.13 4.57 -1.47 -1.92 114.58 115.87 1abz h GLU 15 Ca -0.07 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1abz h GLU 15 Cb 0.59 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1abz h GLU 15 CO 0.11 0.00 -0.39 0.00 -1.18 0.00 0.00 179.01 177.55 1abz h ALA 16 N 2.21 1.23 -0.12 2.92 0.00 -1.13 -3.21 119.26 121.17 1abz h ALA 16 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1abz h ALA 16 Cb 0.36 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.83 1abz h ALA 16 CO 0.00 0.49 -0.83 0.54 0.00 0.00 0.00 179.25 179.44 1abz n ARG 17 N -3.89 1.13 -3.93 0.00 1.74 -0.97 -5.01 116.66 105.73 1abz n ARG 17 Ca -0.01 -2.86 -0.30 0.00 -0.77 0.00 0.00 57.85 53.91 1abz n ARG 17 Cb 0.44 -0.99 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 1abz n ARG 17 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1abz s GLY 18 N -2.81 1.22 -0.73 -0.13 0.00 -0.76 -5.00 107.32 99.11 1abz s GLY 18 Ca 0.36 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1abz s GLY 18 CO -0.10 0.91 1.97 -0.37 0.00 0.00 0.00 173.10 175.52 1abz n THR 19 N 4.72 3.54 -2.71 0.90 5.66 -1.26 -4.51 114.28 120.61 1abz n THR 19 Ca -0.12 -3.65 -0.08 0.00 -3.05 0.00 0.00 64.05 57.15 1abz n THR 19 Cb 0.45 -1.20 0.10 0.00 -1.55 0.00 0.00 70.33 68.13 1abz n THR 19 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1abz n ASP 20 N -0.73 -2.09 -1.79 1.09 5.68 -1.26 -4.97 116.55 112.48 1abz n ASP 20 Ca 0.58 -3.08 -0.03 0.00 -0.50 0.00 0.00 54.79 51.75 1abz n ASP 20 Cb 0.48 1.53 0.04 0.00 -1.14 0.00 0.00 41.12 42.03 1abz n ASP 20 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1abz n SER 21 N -0.02 -0.94 -0.74 -1.12 7.64 -1.26 -4.94 113.62 112.24 1abz n SER 21 Ca 0.01 -1.72 0.04 0.00 1.01 0.00 0.00 58.87 58.20 1abz n SER 21 Cb 0.76 0.39 0.14 0.00 -1.01 0.00 0.00 64.21 64.49 1abz n SER 21 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1abz n ASN 22 N -0.71 2.06 0.00 6.43 6.94 -1.26 -3.86 115.26 124.86 1abz n ASN 22 Ca -0.16 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 1abz n ASN 22 Cb 0.70 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1abz n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1abz n ALA 23 N 0.29 2.31 0.29 -2.53 0.00 -1.26 -4.65 120.51 114.96 1abz n ALA 23 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1abz n ALA 23 Cb 0.40 0.41 0.23 0.00 0.00 0.00 0.00 19.45 20.49 1abz n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1abz n GLU 24 N -2.51 0.03 -0.23 0.00 1.02 -1.25 -2.90 120.64 114.79 1abz n GLU 24 Ca 0.00 0.38 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 1abz n GLU 24 Cb 0.41 -1.56 0.14 0.00 -0.02 0.00 0.00 31.44 30.42 1abz n GLU 24 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1abz h LEU 25 N 0.00 0.24 0.66 -4.62 3.38 -1.83 -2.27 115.31 110.87 1abz h LEU 25 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1abz h LEU 25 Cb 0.16 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1abz h LEU 25 CO 0.00 0.12 -0.40 0.03 0.09 0.00 0.00 178.44 178.28 1abz h ARG 26 N 0.42 -0.95 -0.83 1.13 -0.00 -1.88 -1.23 114.38 111.05 1abz h ARG 26 Ca 0.36 0.07 0.24 0.00 -0.50 0.00 0.00 59.98 60.14 1abz h ARG 26 Cb 0.49 0.22 -0.03 0.00 0.00 0.00 0.00 29.97 30.64 1abz h ARG 26 CO -0.36 -0.64 0.94 0.00 0.00 0.00 0.00 179.97 179.92 1abz h ALA 27 N -1.33 2.68 0.25 0.04 0.00 -1.68 0.11 119.26 119.34 1abz h ALA 27 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1abz h ALA 27 Cb 0.79 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1abz h ALA 27 CO 0.09 -1.37 -0.12 1.98 0.00 0.00 0.00 179.25 179.84 1abz h MET 28 N 0.00 -0.33 -1.20 0.00 -1.53 -0.66 -3.10 114.93 108.11 1abz h MET 28 Ca 0.39 0.02 0.35 0.00 -3.44 0.00 0.00 59.70 57.03 1abz h MET 28 Cb 2.27 0.07 -0.10 0.00 -0.55 0.00 0.00 31.60 33.30 1abz h MET 28 CO -0.00 0.03 0.79 1.49 0.14 0.00 0.00 176.91 179.36 1abz h GLU 29 N -0.88 0.20 0.58 0.39 4.22 -0.49 0.07 114.58 118.67 1abz h GLU 29 Ca -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1abz h GLU 29 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1abz h GLU 29 CO 0.06 0.13 -0.40 0.00 -2.18 0.00 0.00 179.01 176.62 1abz h ALA 30 N 1.55 -0.98 0.00 2.92 0.00 -1.45 -1.36 119.26 119.95 1abz h ALA 30 Ca 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1abz h ALA 30 Cb 2.10 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 20.41 1abz h ALA 30 CO -0.28 -1.07 -0.01 0.87 0.00 0.00 0.00 179.25 178.76 1abz h LYS 31 N -0.94 0.00 0.00 0.00 6.56 -1.04 -3.17 116.57 117.98 1abz h LYS 31 Ca -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1abz h LYS 31 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1abz h LYS 31 CO 0.04 0.01 0.00 -0.11 -2.06 0.00 0.00 179.45 177.33 1abz n LEU 32 N -3.39 0.00 -0.06 2.94 7.94 -0.51 -1.32 117.00 122.60 1abz n LEU 32 Ca -0.03 0.96 0.11 0.00 -1.11 0.00 0.00 56.01 55.95 1abz n LEU 32 Cb 0.10 -0.46 0.51 0.00 0.53 0.00 0.00 43.42 44.10 1abz n LEU 32 CO 0.24 -0.46 1.18 0.50 -1.11 0.00 0.00 177.39 177.74 1abz h LYS 33 N 0.00 0.37 -0.89 1.96 3.64 -1.61 -0.77 116.57 119.27 1abz h LYS 33 Ca 0.00 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 1abz h LYS 33 Cb 0.00 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.67 1abz h LYS 33 CO 0.00 0.25 0.58 0.00 -2.27 0.00 0.00 179.45 178.01 1abz h ALA 34 N 1.72 2.11 -0.08 5.00 0.00 -1.19 -0.42 119.26 126.40 1abz h ALA 34 Ca 0.25 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1abz h ALA 34 Cb 0.49 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1abz h ALA 34 CO -0.06 -0.39 -0.79 0.93 0.00 0.00 0.00 179.25 178.94 1abz h GLU 35 N 0.47 0.68 -0.12 0.00 5.08 -0.26 -3.04 114.58 117.38 1abz h GLU 35 Ca 0.46 -0.62 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1abz h GLU 35 Cb 1.05 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1abz h GLU 35 CO -0.19 1.23 0.30 0.82 -1.00 0.00 0.00 179.01 180.17 1abz h ILE 36 N 0.35 0.16 -0.33 3.13 2.04 -1.03 -1.73 117.51 120.09 1abz h ILE 36 Ca -0.08 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.57 1abz h ILE 36 Cb 1.44 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 38.15 1abz h ILE 36 CO 0.16 0.00 0.19 1.67 0.00 0.00 0.00 178.15 180.17 1abz n GLN 37 N -3.23 1.62 0.00 2.37 7.27 -1.07 -5.07 117.38 119.27 1abz n GLN 37 Ca 0.01 -1.06 0.00 0.00 0.07 0.00 0.00 57.00 56.02 1abz n GLN 37 Cb 0.39 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.54 1abz n GLN 37 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76