#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 0.00 -0.57 2.11 5.08 -2.05 -0.33 115.95 120.19 1abz h TRP 2 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1abz h TRP 2 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 1abz h TRP 2 CO 0.00 0.00 0.34 1.25 -1.28 0.00 0.00 178.44 178.75 1abz h LEU 3 N 0.00 0.68 -1.57 0.11 5.85 -2.00 -0.12 115.31 118.26 1abz h LEU 3 Ca 0.13 -0.04 0.31 0.00 0.84 0.00 0.00 57.88 59.12 1abz h LEU 3 Cb 0.61 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1abz h LEU 3 CO -0.00 0.53 0.75 0.07 -0.34 0.00 0.00 178.44 179.45 1abz h LYS 4 N 0.79 0.23 0.01 1.25 2.10 -1.47 1.22 116.57 120.69 1abz h LYS 4 Ca 0.21 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.58 1abz h LYS 4 Cb -0.02 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 31.28 1abz h LYS 4 CO -0.04 0.15 -1.05 0.00 -2.00 0.00 0.00 179.45 176.52 1abz h ALA 5 N 1.55 0.15 -0.88 0.07 0.00 -1.17 -1.70 119.26 117.28 1abz h ALA 5 Ca 0.61 -0.70 0.18 0.00 0.00 0.00 0.00 54.91 55.00 1abz h ALA 5 Cb 1.88 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 1abz h ALA 5 CO -0.22 0.70 0.58 0.00 0.00 0.00 0.00 179.25 180.31 1abz h ARG 6 N 0.38 0.47 0.00 0.00 2.47 0.18 0.31 114.38 118.19 1abz h ARG 6 Ca -0.13 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.42 1abz h ARG 6 Cb 1.70 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.89 1abz h ARG 6 CO 0.20 0.31 -1.27 0.28 0.56 0.00 0.00 179.97 180.05 1abz h VAL 7 N 0.48 0.48 -0.25 2.04 2.07 -1.13 -3.34 116.25 116.60 1abz h VAL 7 Ca 0.45 -1.91 -0.12 0.00 0.82 0.00 0.00 66.70 65.94 1abz h VAL 7 Cb 1.00 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1abz h VAL 7 CO -0.18 0.27 -0.36 -0.08 0.02 0.00 0.00 177.57 177.24 1abz h GLU 8 N 0.00 0.57 0.10 1.57 4.57 -0.01 -1.78 114.58 119.60 1abz h GLU 8 Ca -0.13 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1abz h GLU 8 Cb 1.50 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1abz h GLU 8 CO 0.04 0.85 -0.05 1.96 -1.18 0.00 0.00 179.01 180.63 1abz h GLN 9 N 0.48 -0.12 -0.51 1.92 4.20 -1.41 0.71 115.11 120.38 1abz h GLN 9 Ca 0.05 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1abz h GLN 9 Cb 0.85 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1abz h GLN 9 CO 0.07 0.16 0.31 0.93 -0.67 0.00 0.00 178.83 179.63 1abz h GLU 10 N -0.41 0.69 0.00 1.46 5.08 -1.67 -1.06 114.58 118.68 1abz h GLU 10 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1abz h GLU 10 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1abz h GLU 10 CO 0.02 0.50 0.00 1.28 -1.00 0.00 0.00 179.01 179.81 1abz n LEU 11 N -4.69 0.55 -0.16 1.33 4.77 -0.67 -2.88 117.00 115.25 1abz n LEU 11 Ca 0.02 0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1abz n LEU 11 Cb 0.05 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1abz n LEU 11 CO 0.36 -0.43 0.69 -0.61 -1.33 0.00 0.00 177.39 176.06 1abz h GLN 12 N 0.00 1.00 -0.26 3.23 4.15 0.53 -2.77 115.11 120.99 1abz h GLN 12 Ca 0.00 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 1abz h GLN 12 Cb 0.40 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1abz h GLN 12 CO 0.00 1.10 0.08 0.00 -1.93 0.00 0.00 178.83 178.07 1abz h ALA 13 N 0.89 1.65 -0.20 3.38 0.00 -1.52 -2.57 119.26 120.89 1abz h ALA 13 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1abz h ALA 13 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1abz h ALA 13 CO 0.06 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.52 1abz h LEU 14 N 0.36 0.35 -1.06 0.00 4.07 -1.62 -2.84 115.31 114.57 1abz h LEU 14 Ca 0.09 -0.31 0.13 0.00 0.08 0.00 0.00 57.88 57.88 1abz h LEU 14 Cb 0.12 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 41.68 1abz h LEU 14 CO -0.01 0.57 0.62 -0.08 -1.08 0.00 0.00 178.44 178.47 1abz h GLU 15 N 0.12 0.89 -0.69 1.13 4.81 -1.33 0.18 114.58 119.70 1abz h GLU 15 Ca 0.06 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1abz h GLU 15 Cb 0.39 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1abz h GLU 15 CO 0.01 0.59 0.45 0.00 -0.73 0.00 0.00 179.01 179.33 1abz h ALA 16 N 1.56 1.57 -1.15 2.92 0.00 -1.32 -2.75 119.26 120.09 1abz h ALA 16 Ca 0.50 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.79 1abz h ALA 16 Cb 0.58 -0.25 -0.42 0.00 0.00 0.00 0.00 17.79 17.71 1abz h ALA 16 CO -0.27 0.38 -0.66 2.89 0.00 0.00 0.00 179.25 181.58 1abz n ARG 17 N -4.45 3.47 0.00 0.00 1.85 0.35 -4.66 116.66 113.22 1abz n ARG 17 Ca 0.08 -4.29 0.09 0.00 -1.00 0.00 0.00 57.85 52.73 1abz n ARG 17 Cb 0.09 -2.27 0.07 0.00 -1.05 0.00 0.00 32.46 29.30 1abz n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1abz n GLY 18 N -0.60 0.37 2.46 2.89 0.00 0.35 -4.96 105.19 105.70 1abz n GLY 18 Ca 0.42 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1abz n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1abz n THR 19 N 0.94 -7.18 -3.61 2.61 -1.04 -1.26 -3.91 114.28 100.82 1abz n THR 19 Ca 0.10 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.98 1abz n THR 19 Cb 0.45 -5.83 0.05 0.00 -1.82 0.00 0.00 70.33 63.18 1abz n THR 19 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1abz n ASP 20 N -1.15 -1.50 -2.68 8.00 -0.08 -1.26 -4.84 116.55 113.04 1abz n ASP 20 Ca 0.02 -0.75 -0.28 0.00 -1.51 0.00 0.00 54.79 52.28 1abz n ASP 20 Cb 0.44 -4.41 -0.07 0.00 2.34 0.00 0.00 41.12 39.42 1abz n ASP 20 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1abz n SER 21 N -3.08 6.79 -1.54 1.67 3.41 -1.25 -4.39 113.62 115.23 1abz n SER 21 Ca -0.29 -2.94 0.09 0.00 -0.26 0.00 0.00 58.87 55.47 1abz n SER 21 Cb 0.67 -1.35 0.35 0.00 -0.26 0.00 0.00 64.21 63.63 1abz n SER 21 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1abz n ASN 22 N 1.78 4.73 0.00 4.04 0.23 -1.26 -4.19 115.26 120.60 1abz n ASN 22 Ca 0.54 -2.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 1abz n ASN 22 Cb 0.54 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1abz n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1abz n ALA 23 N 0.99 2.87 0.42 -2.53 0.00 -1.26 -4.64 120.51 116.36 1abz n ALA 23 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.74 1abz n ALA 23 Cb 0.90 0.48 0.24 0.00 0.00 0.00 0.00 19.45 21.06 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 -2.91 0.06 -0.35 0.00 -0.58 -1.26 -3.06 120.64 112.54 1abz n GLU 24 Ca 0.00 0.27 0.29 0.00 -0.42 0.00 0.00 57.16 57.30 1abz n GLU 24 Cb 0.48 -1.50 0.60 0.00 -0.57 0.00 0.00 31.44 30.45 1abz n GLU 24 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1abz h LEU 25 N 0.00 0.28 -0.06 -4.62 3.38 -1.82 0.21 115.31 112.68 1abz h LEU 25 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1abz h LEU 25 Cb 0.15 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1abz h LEU 25 CO 0.00 0.01 0.03 0.03 0.09 0.00 0.00 178.44 178.61 1abz h ARG 26 N 0.23 0.08 0.01 1.13 -0.00 -1.90 -0.31 114.38 113.61 1abz h ARG 26 Ca 0.63 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 60.11 1abz h ARG 26 Cb 1.94 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.88 1abz h ARG 26 CO -0.23 0.16 -0.05 0.00 0.00 0.00 0.00 179.97 179.84 1abz h ALA 27 N 0.92 -0.06 0.00 0.04 0.00 -0.85 -0.92 119.26 118.38 1abz h ALA 27 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1abz h ALA 27 Cb 0.10 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1abz h ALA 27 CO -0.00 -0.55 -0.00 1.98 0.00 0.00 0.00 179.25 180.67 1abz h MET 28 N -0.10 0.00 -0.24 0.00 1.85 -1.27 -1.04 114.93 114.13 1abz h MET 28 Ca 0.02 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.96 1abz h MET 28 Cb 0.12 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 1abz h MET 28 CO -0.05 0.00 -0.46 0.93 -0.40 0.00 0.00 176.91 176.93 1abz h GLU 29 N 0.00 0.62 0.76 0.39 5.08 0.32 -2.13 114.58 119.63 1abz h GLU 29 Ca -0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1abz h GLU 29 Cb 0.00 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1abz h GLU 29 CO 0.00 0.95 -0.37 0.00 -1.00 0.00 0.00 179.01 178.60 1abz h ALA 30 N 0.99 -1.02 -0.08 3.43 0.00 -0.60 -2.61 119.26 119.37 1abz h ALA 30 Ca 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1abz h ALA 30 Cb 1.00 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1abz h ALA 30 CO 0.09 -0.99 0.12 0.87 0.00 0.00 0.00 179.25 179.35 1abz h LYS 31 N -1.20 0.00 -0.01 0.00 6.56 -1.58 -2.85 116.57 117.50 1abz h LYS 31 Ca -0.10 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1abz h LYS 31 Cb 0.80 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.41 1abz h LYS 31 CO 0.17 0.00 -0.47 1.25 -2.06 0.00 0.00 179.45 178.35 1abz h LEU 32 N 0.00 -1.44 -2.10 2.94 5.85 -0.97 0.19 115.31 119.77 1abz h LEU 32 Ca 0.04 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1abz h LEU 32 Cb 0.28 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1abz h LEU 32 CO -0.00 -0.45 0.21 0.50 -0.34 0.00 0.00 178.44 178.36 1abz h LYS 33 N -0.58 0.00 -0.29 1.25 3.64 -1.57 0.23 116.57 119.25 1abz h LYS 33 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1abz h LYS 33 Cb 0.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1abz h LYS 33 CO -0.31 0.00 -0.13 0.00 -2.27 0.00 0.00 179.45 176.74 1abz h ALA 34 N 1.82 1.25 -0.01 5.00 0.00 -0.70 -2.77 119.26 123.84 1abz h ALA 34 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1abz h ALA 34 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1abz h ALA 34 CO -0.00 0.49 -0.16 1.49 0.00 0.00 0.00 179.25 181.07 1abz h GLU 35 N 0.45 0.13 -0.95 0.00 4.57 0.17 -3.16 114.58 115.79 1abz h GLU 35 Ca 0.08 -0.12 0.25 0.00 -1.18 0.00 0.00 59.36 58.39 1abz h GLU 35 Cb 0.49 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 1abz h GLU 35 CO 0.03 0.83 0.65 0.82 -1.18 0.00 0.00 179.01 180.16 1abz h ILE 36 N -0.53 0.58 0.13 2.32 2.04 -1.39 -0.04 117.51 120.62 1abz h ILE 36 Ca -0.02 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1abz h ILE 36 Cb 0.88 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1abz h ILE 36 CO 0.03 0.04 -0.08 -0.61 0.00 0.00 0.00 178.15 177.53 1abz h GLN 37 N 0.22 -0.20 0.00 2.37 5.75 -1.45 -3.51 115.11 118.28 1abz h GLN 37 Ca 0.48 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.00 1abz h GLN 37 Cb 1.53 0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.12 1abz h GLN 37 CO -0.12 -0.13 0.00 1.17 -2.65 0.00 0.00 178.83 177.10