#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ron s PRO 2 N 0.00 1.78 -0.73 -3.48 0.04 -1.26 -5.00 135.00 126.35 1ron s PRO 2 Ca 0.00 0.71 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 1ron s PRO 2 Cb 0.00 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1ron s PRO 2 CO 0.00 -1.85 0.76 -1.12 0.04 0.00 0.00 177.00 174.83 1ron s SER 3 N -3.72 6.50 -0.76 6.66 0.01 -1.26 -4.99 113.70 116.14 1ron s SER 3 Ca 0.62 -2.12 -0.12 0.00 1.31 0.00 0.00 55.95 55.64 1ron s SER 3 Cb -0.16 -2.26 0.20 0.00 0.21 0.00 0.00 66.02 64.01 1ron s SER 3 CO 0.55 -0.83 0.67 -0.54 0.41 0.00 0.00 173.24 173.50 1ron s LYS 4 N 1.43 3.32 0.00 12.44 3.01 -1.26 -4.94 119.74 133.75 1ron s LYS 4 Ca 0.16 -2.40 0.00 0.00 -1.01 0.00 0.00 55.97 52.72 1ron s LYS 4 Cb -0.16 -4.27 0.00 0.00 -1.01 0.00 0.00 37.83 32.39 1ron s LYS 4 CO -0.03 -1.27 0.62 -0.35 0.51 0.00 0.00 175.35 174.83 1ron n PRO 5 N 4.00 0.63 -0.79 -1.68 -0.04 -1.26 -4.43 135.00 131.43 1ron n PRO 5 Ca 0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1ron n PRO 5 Cb 0.44 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1ron n PRO 5 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ron n ASP 6 N 0.68 5.64 -2.49 3.54 5.75 -1.26 -4.80 116.55 123.61 1ron n ASP 6 Ca 0.00 -2.62 -0.13 0.00 -0.01 0.00 0.00 54.79 52.03 1ron n ASP 6 Cb 0.31 -1.20 -0.02 0.00 -1.03 0.00 0.00 41.12 39.18 1ron n ASP 6 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1ron n ASN 7 N 1.47 -0.83 -3.23 -1.12 0.23 -1.26 -4.36 115.26 106.17 1ron n ASN 7 Ca 0.21 -0.23 -0.08 0.00 -0.53 0.00 0.00 54.58 53.94 1ron n ASN 7 Cb 0.62 -0.76 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 1ron n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ron n PRO 8 N -2.02 0.00 -0.31 -0.53 -0.04 -1.26 -0.66 135.00 130.17 1ron n PRO 8 Ca 0.04 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1ron n PRO 8 Cb 0.27 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1ron n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ron n GLY 9 N 3.88 1.18 0.56 0.55 0.00 -1.26 -4.92 105.19 105.18 1ron n GLY 9 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ron n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ron n GLU 10 N -0.28 0.00 -0.09 1.61 2.13 0.16 -4.98 120.64 119.19 1ron n GLU 10 Ca 0.00 0.50 0.09 0.00 0.66 0.00 0.00 57.16 58.40 1ron n GLU 10 Cb 0.06 -0.06 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1ron n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ron n ASP 11 N 0.00 2.77 -2.28 4.31 8.00 -1.26 -4.70 116.55 123.39 1ron n ASP 11 Ca 0.00 -1.81 -0.32 0.00 0.71 0.00 0.00 54.79 53.37 1ron n ASP 11 Cb 0.00 -0.12 0.10 0.00 -0.02 0.00 0.00 41.12 41.07 1ron n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ron n ALA 12 N 1.00 6.14 0.14 2.24 0.00 -1.26 -4.58 120.51 124.18 1ron n ALA 12 Ca 0.13 -3.38 -0.24 0.00 0.00 0.00 0.00 53.44 49.95 1ron n ALA 12 Cb 0.46 -1.65 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 1ron n ALA 12 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ron h PRO 13 N 1.81 0.52 -0.56 0.00 0.13 -1.99 -3.03 132.00 128.87 1ron h PRO 13 Ca 0.60 -0.87 0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1ron h PRO 13 Cb 1.23 0.32 -0.02 0.00 0.13 0.00 0.00 31.00 32.66 1ron h PRO 13 CO 1.46 1.41 0.78 0.00 -0.23 0.00 0.00 178.00 181.42 1ron h ALA 14 N 0.22 2.33 0.00 -0.56 0.00 -1.98 1.01 119.26 120.28 1ron h ALA 14 Ca -0.24 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1ron h ALA 14 Cb 2.13 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 1ron h ALA 14 CO 0.27 -1.07 -1.76 0.39 0.00 0.00 0.00 179.25 177.08 1ron n GLU 15 N -3.32 0.64 -0.02 0.00 1.02 -1.15 -2.99 120.64 114.82 1ron n GLU 15 Ca 0.12 0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 57.23 1ron n GLU 15 Cb 0.97 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 30.54 1ron n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ron h ASP 16 N 0.00 0.22 -0.69 1.62 3.58 0.92 0.23 116.42 122.31 1ron h ASP 16 Ca -0.28 -0.86 0.05 0.00 0.42 0.00 0.00 57.03 56.36 1ron h ASP 16 Cb 1.83 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.76 1ron h ASP 16 CO 0.05 1.35 0.45 0.24 -2.88 0.00 0.00 179.24 178.45 1ron h MET 17 N -0.65 0.74 0.82 0.28 0.00 -0.84 1.02 114.93 116.30 1ron h MET 17 Ca -0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 59.70 59.44 1ron h MET 17 Cb 1.42 -0.17 -0.00 0.00 0.00 0.00 0.00 31.60 32.85 1ron h MET 17 CO 0.02 0.49 -0.49 0.00 0.00 0.00 0.00 176.91 176.93 1ron h ALA 18 N 1.61 -1.27 0.00 6.32 0.00 -1.51 0.26 119.26 124.68 1ron h ALA 18 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ron h ALA 18 Cb 0.16 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ron h ALA 18 CO -0.09 -1.23 0.08 0.54 0.00 0.00 0.00 179.25 178.56 1ron n ARG 19 N -5.63 0.00 -0.05 0.00 1.74 0.80 -0.59 116.66 112.93 1ron n ARG 19 Ca -0.15 0.35 -0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1ron n ARG 19 Cb 0.51 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 1ron n ARG 19 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ron n TYR 20 N -1.33 0.69 0.43 -1.55 4.02 0.32 0.13 117.16 119.86 1ron n TYR 20 Ca 0.00 0.23 0.08 0.00 -0.01 0.00 0.00 57.90 58.19 1ron n TYR 20 Cb 0.08 -1.12 0.33 0.00 -0.02 0.00 0.00 39.34 38.62 1ron n TYR 20 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1ron n TYR 21 N -3.04 0.20 -0.12 -0.72 4.01 0.24 0.84 117.16 118.58 1ron n TYR 21 Ca -0.25 0.08 -0.23 0.00 -0.16 0.00 0.00 57.90 57.34 1ron n TYR 21 Cb 1.08 -0.63 -0.09 0.00 -0.31 0.00 0.00 39.34 39.39 1ron n TYR 21 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ron n SER 22 N -1.69 1.80 0.14 7.72 2.88 -1.15 -4.03 113.62 119.29 1ron n SER 22 Ca 0.03 0.19 -0.13 0.00 -1.33 0.00 0.00 58.87 57.62 1ron n SER 22 Cb 0.17 -0.60 -0.08 0.00 -0.75 0.00 0.00 64.21 62.94 1ron n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ron h ALA 23 N -0.63 -0.35 -0.62 -1.46 0.00 0.18 1.11 119.26 117.49 1ron h ALA 23 Ca -0.57 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 1ron h ALA 23 Cb 1.58 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1ron h ALA 23 CO -0.29 -0.55 0.04 -0.07 0.00 0.00 0.00 179.25 178.38 1ron h LEU 24 N -0.65 1.01 -0.16 0.00 -0.00 0.21 0.94 115.31 116.66 1ron h LEU 24 Ca -0.04 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1ron h LEU 24 Cb 0.46 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1ron h LEU 24 CO 0.06 1.04 0.10 -0.09 -0.00 0.00 0.00 178.44 179.55 1ron h ARG 25 N 0.97 0.22 -0.33 1.13 2.43 -1.51 0.30 114.38 117.60 1ron h ARG 25 Ca 0.18 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1ron h ARG 25 Cb 0.50 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ron h ARG 25 CO 0.02 0.20 0.22 1.25 -1.51 0.00 0.00 179.97 180.15 1ron h HIS 26 N 0.19 0.36 0.62 2.20 2.76 0.26 -2.04 115.15 119.50 1ron h HIS 26 Ca 0.06 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1ron h HIS 26 Cb 0.03 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 28.88 1ron h HIS 26 CO -0.05 0.22 -0.30 1.88 -1.30 0.00 0.00 177.93 178.38 1ron h TYR 27 N 0.38 -0.77 -0.96 5.26 0.05 0.28 0.24 116.97 121.45 1ron h TYR 27 Ca 0.13 -0.02 0.28 0.00 0.05 0.00 0.00 58.73 59.17 1ron h TYR 27 Cb 0.04 0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 1ron h TYR 27 CO -0.00 -0.44 0.70 0.97 -1.05 0.00 0.00 178.16 178.35 1ron h ILE 28 N -0.99 0.49 0.09 -2.88 6.09 0.20 1.42 117.51 121.94 1ron h ILE 28 Ca -0.09 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.15 1ron h ILE 28 Cb 0.68 0.51 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1ron h ILE 28 CO 0.14 0.00 -1.16 0.78 -3.07 0.00 0.00 178.15 174.84 1ron h ASN 29 N 0.00 0.40 0.11 2.19 2.35 -0.93 -1.97 115.58 117.74 1ron h ASN 29 Ca 0.46 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1ron h ASN 29 Cb 1.86 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 40.10 1ron h ASN 29 CO -0.00 1.29 -0.67 -0.11 -1.65 0.00 0.00 177.43 176.28 1ron n LEU 30 N -3.56 1.21 -0.08 1.61 -0.00 0.79 -4.19 117.00 112.79 1ron n LEU 30 Ca -0.07 -0.46 -0.15 0.00 -0.00 0.00 0.00 56.01 55.32 1ron n LEU 30 Cb 0.98 -0.06 -0.14 0.00 -0.00 0.00 0.00 43.42 44.20 1ron n LEU 30 CO 0.53 0.26 -1.10 0.00 -0.00 0.00 0.00 177.39 177.07 1ron n ILE 31 N -0.97 1.53 -0.26 1.96 3.06 0.45 -3.91 119.36 121.23 1ron n ILE 31 Ca 0.07 -0.69 0.06 0.00 -2.50 0.00 0.00 62.75 59.69 1ron n ILE 31 Cb 0.37 -1.18 0.19 0.00 0.54 0.00 0.00 39.64 39.57 1ron n ILE 31 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ron h THR 32 N 0.01 0.55 0.00 9.51 1.03 -1.52 0.85 112.91 123.34 1ron h THR 32 Ca -0.51 -0.11 -0.03 0.00 -0.01 0.00 0.00 66.41 65.75 1ron h THR 32 Cb 2.03 0.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1ron h THR 32 CO -0.00 0.06 -0.15 0.08 -0.01 0.00 0.00 175.52 175.49 1ron h ARG 33 N 0.32 0.00 0.14 0.00 -0.00 -1.76 -2.07 114.38 111.02 1ron h ARG 33 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.40 1ron h ARG 33 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.69 1ron h ARG 33 CO -0.48 0.15 -0.07 1.96 -0.00 0.00 0.00 179.97 181.53 1ron h GLN 34 N 0.00 -0.18 -0.37 0.08 1.08 0.49 -3.34 115.11 112.86 1ron h GLN 34 Ca -0.00 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1ron h GLN 34 Cb 0.37 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1ron h GLN 34 CO 0.02 -0.12 0.25 0.07 -0.95 0.00 0.00 178.83 178.10 1ron h ARG 35 N -0.70 0.30 -0.02 1.46 0.11 -0.91 -3.51 114.38 111.10 1ron h ARG 35 Ca -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ron h ARG 35 Cb 0.15 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1ron h ARG 35 CO 0.03 0.20 0.00 0.66 0.10 0.00 0.00 179.97 180.96