#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 1.47 0.25 -0.72 0.04 -1.26 -5.09 135.00 129.68 1ron s PRO 2 Ca 0.00 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 1ron s PRO 2 Cb 0.00 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1ron s PRO 2 CO 0.00 -2.01 0.68 -1.54 0.04 0.00 0.00 177.00 174.17 1ron s SER 3 N -3.90 -0.34 0.28 6.66 1.04 -1.26 -5.10 113.70 111.08 1ron s SER 3 Ca 0.63 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1ron s SER 3 Cb -0.15 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1ron s SER 3 CO 0.54 -1.24 0.00 0.29 0.98 0.00 0.00 173.24 173.81 1ron n LYS 4 N -0.44 -2.11 -0.87 4.02 4.76 -1.26 -4.49 118.16 117.78 1ron n LYS 4 Ca -0.08 1.61 -0.22 0.00 -2.87 0.00 0.00 58.31 56.76 1ron n LYS 4 Cb 0.61 -1.94 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1ron n LYS 4 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ron n PRO 5 N -1.66 2.27 0.00 1.97 -0.04 -1.26 -4.65 135.00 131.63 1ron n PRO 5 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1ron n PRO 5 Cb 0.15 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1ron n PRO 5 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ron n ASP 6 N 3.55 0.00 -4.93 3.54 -0.08 -1.26 -5.16 116.55 112.22 1ron n ASP 6 Ca 0.48 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.49 1ron n ASP 6 Cb 0.32 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.75 1ron n ASP 6 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ron s ASN 7 N 1.00 6.39 -0.86 1.67 4.22 -1.26 -4.99 114.94 121.11 1ron s ASN 7 Ca 0.00 0.40 -0.07 0.00 -2.14 0.00 0.00 52.86 51.06 1ron s ASN 7 Cb 0.00 -2.01 -0.06 0.00 1.28 0.00 0.00 41.25 40.46 1ron s ASN 7 CO 0.00 -0.03 2.04 -0.81 -2.04 0.00 0.00 177.10 176.25 1ron n PRO 8 N -0.61 1.94 -4.04 3.55 -0.04 -1.26 -4.78 135.00 129.75 1ron n PRO 8 Ca -0.05 -1.44 -0.10 0.00 -0.04 0.00 0.00 63.50 61.88 1ron n PRO 8 Cb 0.54 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 1ron n PRO 8 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ron s GLY 9 N 3.61 0.40 -1.47 0.55 0.00 -1.26 -5.03 107.32 104.13 1ron s GLY 9 Ca 0.39 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 44.17 1ron s GLY 9 CO -0.02 -0.92 2.50 -2.21 0.00 0.00 0.00 173.10 172.45 1ron n GLU 10 N 1.08 3.66 -0.19 2.90 4.07 -1.26 -4.58 120.64 126.32 1ron n GLU 10 Ca -0.20 -2.76 0.05 0.00 -0.06 0.00 0.00 57.16 54.18 1ron n GLU 10 Cb 0.57 -2.91 0.14 0.00 -0.06 0.00 0.00 31.44 29.18 1ron n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1ron n ASP 11 N 3.89 1.85 -1.99 4.31 9.92 -1.26 -4.40 116.55 128.86 1ron n ASP 11 Ca 0.63 -2.06 -0.04 0.00 -0.53 0.00 0.00 54.79 52.79 1ron n ASP 11 Cb 0.29 -0.26 0.33 0.00 -0.64 0.00 0.00 41.12 40.84 1ron n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ron n ALA 12 N 0.38 4.48 1.69 2.24 0.00 -1.26 -4.56 120.51 123.48 1ron n ALA 12 Ca 0.11 -2.28 0.15 0.00 0.00 0.00 0.00 53.44 51.41 1ron n ALA 12 Cb 0.32 -1.23 0.74 0.00 0.00 0.00 0.00 19.45 19.28 1ron n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ron n PRO 13 N -0.02 1.09 0.24 0.00 -0.04 -1.26 -2.36 135.00 132.65 1ron n PRO 13 Ca 0.39 -0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1ron n PRO 13 Cb 1.36 -1.49 0.62 0.00 -0.04 0.00 0.00 33.50 33.95 1ron n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ron h ALA 14 N 3.98 1.34 0.10 0.55 0.00 -1.95 0.50 119.26 123.78 1ron h ALA 14 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 1ron h ALA 14 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ron h ALA 14 CO 0.00 0.21 -2.07 -1.91 0.00 0.00 0.00 179.25 175.49 1ron n GLU 15 N -3.79 0.74 -0.10 0.00 2.13 -1.00 -2.59 120.64 116.04 1ron n GLU 15 Ca -0.02 0.24 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 1ron n GLU 15 Cb 0.27 -1.68 -0.04 0.00 0.27 0.00 0.00 31.44 30.27 1ron n GLU 15 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1ron h ASP 16 N 0.06 0.85 0.58 4.31 3.58 -1.51 0.46 116.42 124.76 1ron h ASP 16 Ca -0.44 -0.48 -0.04 0.00 0.42 0.00 0.00 57.03 56.49 1ron h ASP 16 Cb 2.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.82 1ron h ASP 16 CO 0.06 1.16 -0.18 0.00 -2.88 0.00 0.00 179.24 177.40 1ron h MET 17 N 0.57 0.00 0.12 0.28 -0.00 -0.18 0.30 114.93 116.01 1ron h MET 17 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 1ron h MET 17 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 1ron h MET 17 CO 0.08 0.18 -0.06 0.00 -0.00 0.00 0.00 176.91 177.12 1ron h ALA 18 N 1.82 -0.16 0.00 -3.00 0.00 -1.08 0.16 119.26 117.00 1ron h ALA 18 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ron h ALA 18 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ron h ALA 18 CO 0.02 -0.44 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1ron n ARG 19 N -5.02 0.05 -0.05 0.00 1.74 0.16 -0.85 116.66 112.67 1ron n ARG 19 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 1ron n ARG 19 Cb 0.20 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 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 -0.94 0.38 0.35 -1.55 4.02 0.77 0.73 117.16 120.91 1ron n TYR 20 Ca 0.01 0.13 0.08 0.00 -0.01 0.00 0.00 57.90 58.11 1ron n TYR 20 Cb 0.00 -1.01 0.34 0.00 -0.02 0.00 0.00 39.34 38.65 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 -2.80 0.31 -0.09 -0.72 4.01 -0.03 0.10 117.16 117.95 1ron n TYR 21 Ca -0.23 0.13 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1ron n TYR 21 Cb 1.03 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.80 1.68 0.21 7.72 2.88 -1.23 -3.97 113.62 119.12 1ron n SER 22 Ca 0.02 0.29 -0.16 0.00 -1.33 0.00 0.00 58.87 57.69 1ron n SER 22 Cb 0.14 -0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.82 -0.87 -0.62 -1.46 0.00 0.12 1.05 119.26 116.67 1ron h ALA 23 Ca -0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1ron h ALA 23 Cb 1.21 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1ron h ALA 23 CO -0.20 -1.03 0.16 -0.07 0.00 0.00 0.00 179.25 178.10 1ron h LEU 24 N -0.79 0.93 -0.13 0.00 -0.00 0.46 0.87 115.31 116.64 1ron h LEU 24 Ca -0.02 -0.23 0.02 0.00 -0.00 0.00 0.00 57.88 57.65 1ron h LEU 24 Cb 0.73 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1ron h LEU 24 CO -0.12 0.92 0.01 -0.09 -0.00 0.00 0.00 178.44 179.16 1ron h ARG 25 N 0.91 0.06 -0.34 1.13 2.43 -1.45 0.30 114.38 117.42 1ron h ARG 25 Ca 0.20 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1ron h ARG 25 Cb 0.34 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ron h ARG 25 CO 0.00 0.04 0.16 1.25 -1.51 0.00 0.00 179.97 179.92 1ron h HIS 26 N 0.06 0.46 0.62 2.20 2.76 0.18 -1.25 115.15 120.18 1ron h HIS 26 Ca 0.06 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1ron h HIS 26 Cb 0.06 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 28.88 1ron h HIS 26 CO -0.13 0.34 -0.30 1.88 -1.30 0.00 0.00 177.93 178.42 1ron h TYR 27 N 0.47 -0.77 -1.07 5.26 0.05 0.24 0.14 116.97 121.29 1ron h TYR 27 Ca 0.12 -0.02 0.31 0.00 0.05 0.00 0.00 58.73 59.19 1ron h TYR 27 Cb 0.05 0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 1ron h TYR 27 CO 0.00 -0.45 0.76 0.82 -1.05 0.00 0.00 178.16 178.24 1ron h ILE 28 N -0.91 0.47 0.04 -2.88 5.03 0.68 1.08 117.51 121.02 1ron h ILE 28 Ca -0.08 -0.01 -0.23 0.00 -0.12 0.00 0.00 64.86 64.41 1ron h ILE 28 Cb 0.66 0.42 -0.00 0.00 -3.03 0.00 0.00 36.82 34.87 1ron h ILE 28 CO 0.14 0.01 -1.02 0.78 -0.68 0.00 0.00 178.15 177.38 1ron h ASN 29 N 0.04 0.36 0.39 1.72 2.35 -0.61 -0.26 115.58 119.58 1ron h ASN 29 Ca 0.52 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1ron h ASN 29 Cb 1.99 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1ron h ASN 29 CO -0.04 1.17 -1.07 -0.11 -1.65 0.00 0.00 177.43 175.74 1ron n LEU 30 N -3.61 0.60 -0.07 1.61 -0.00 0.87 -4.18 117.00 112.22 1ron n LEU 30 Ca -0.06 -0.04 -0.22 0.00 -0.00 0.00 0.00 56.01 55.69 1ron n LEU 30 Cb 0.89 -0.09 -0.12 0.00 -0.00 0.00 0.00 43.42 44.10 1ron n LEU 30 CO 0.51 0.05 -0.78 0.00 -0.00 0.00 0.00 177.39 177.17 1ron n ILE 31 N -1.96 1.62 -0.46 1.96 3.06 0.34 -3.98 119.36 119.94 1ron n ILE 31 Ca 0.02 -0.32 0.38 0.00 -2.50 0.00 0.00 62.75 60.32 1ron n ILE 31 Cb 0.44 -1.88 0.67 0.00 0.54 0.00 0.00 39.64 39.41 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 -0.55 0.13 -0.33 9.51 1.03 -1.20 1.06 112.91 122.56 1ron h THR 32 Ca -0.43 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 65.93 1ron h THR 32 Cb 1.64 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 1ron h THR 32 CO -0.12 0.01 0.15 0.03 -0.01 0.00 0.00 175.52 175.58 1ron h ARG 33 N 0.08 0.48 -0.97 0.00 3.08 -1.75 -3.01 114.38 112.29 1ron h ARG 33 Ca 0.82 -0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.98 1ron h ARG 33 Cb 2.66 -0.08 -0.18 0.00 0.08 0.00 0.00 29.97 32.45 1ron h ARG 33 CO -0.35 0.46 -0.24 -0.56 -1.07 0.00 0.00 179.97 178.20 1ron h GLN 34 N 0.39 -0.00 -1.00 0.04 -0.00 0.11 0.58 115.11 115.23 1ron h GLN 34 Ca 0.11 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.99 1ron h GLN 34 Cb 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.53 1ron h GLN 34 CO -0.01 -0.00 0.63 0.00 -0.00 0.00 0.00 178.83 179.44 1ron h ARG 35 N -0.00 0.54 -0.01 0.06 3.08 -1.46 -3.52 114.38 113.06 1ron h ARG 35 Ca 0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1ron h ARG 35 Cb 0.71 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1ron h ARG 35 CO -1.00 0.36 0.00 0.66 -1.07 0.00 0.00 179.97 178.91