#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 2.83 -0.43 -3.48 0.04 -1.26 -4.58 135.00 128.13 1ron s PRO 2 Ca 0.00 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 1ron s PRO 2 Cb 0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ron s PRO 2 CO 0.00 -1.11 0.41 0.45 0.04 0.00 0.00 177.00 176.78 1ron n SER 3 N -3.10 -5.27 -4.87 6.66 2.88 -1.26 -5.03 113.62 103.62 1ron n SER 3 Ca 0.07 -0.06 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 1ron n SER 3 Cb 0.55 -3.44 -0.05 0.00 -0.75 0.00 0.00 64.21 60.52 1ron n SER 3 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ron s LYS 4 N -3.05 3.81 0.00 -1.46 1.02 -1.26 -5.09 119.74 113.71 1ron s LYS 4 Ca 0.02 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1ron s LYS 4 Cb -0.00 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1ron s LYS 4 CO 0.43 0.22 0.00 -0.35 -0.92 0.00 0.00 175.35 174.73 1ron n PRO 5 N -0.47 2.10 -0.06 -1.68 -0.04 -1.26 -5.07 135.00 128.51 1ron n PRO 5 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1ron n PRO 5 Cb 0.53 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.00 -0.28 -4.77 3.54 5.75 -1.26 -4.94 116.55 114.58 1ron n ASP 6 Ca 0.00 -0.88 -0.40 0.00 -0.01 0.00 0.00 54.79 53.49 1ron n ASP 6 Cb 0.00 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.06 1ron n ASP 6 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ron s ASN 7 N -1.31 6.07 0.00 -1.12 2.20 -1.26 -4.82 114.94 114.71 1ron s ASN 7 Ca 0.03 2.99 -0.02 0.00 -0.94 0.00 0.00 52.86 54.92 1ron s ASN 7 Cb -0.00 -2.66 -0.08 0.00 -2.00 0.00 0.00 41.25 36.51 1ron s ASN 7 CO 0.02 -1.05 1.83 -0.81 -2.94 0.00 0.00 177.10 174.15 1ron n PRO 8 N 0.09 0.93 0.00 3.55 -0.04 -1.26 -4.76 135.00 133.51 1ron n PRO 8 Ca 0.03 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1ron n PRO 8 Cb 0.41 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.14 6.84 3.61 0.55 0.00 -1.26 -5.03 105.19 112.04 1ron n GLY 9 Ca 0.13 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1ron n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ron s GLU 10 N 1.35 3.37 0.00 1.61 2.56 -1.26 -4.80 118.70 121.54 1ron s GLU 10 Ca 0.00 1.95 0.29 0.00 0.00 0.00 0.00 54.97 57.21 1ron s GLU 10 Cb 0.00 -4.28 1.27 0.00 2.00 0.00 0.00 34.13 33.12 1ron s GLU 10 CO 0.00 -1.82 1.93 -0.25 -0.56 0.00 0.00 175.26 174.56 1ron n ASP 11 N 10.54 0.04 -2.20 -1.70 9.92 -1.26 -4.09 116.55 127.79 1ron n ASP 11 Ca 0.26 0.29 -0.27 0.00 -0.53 0.00 0.00 54.79 54.54 1ron n ASP 11 Cb 0.45 -0.40 0.13 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.44 5.82 -0.09 2.24 0.00 -1.26 -4.72 120.51 121.07 1ron n ALA 12 Ca 0.09 -3.18 -0.13 0.00 0.00 0.00 0.00 53.44 50.21 1ron n ALA 12 Cb 0.32 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 1.45 0.87 -0.26 0.00 0.13 -2.00 -0.20 132.00 132.00 1ron h PRO 13 Ca 0.59 -0.51 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 1ron h PRO 13 Cb 1.91 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 33.07 1ron h PRO 13 CO 1.26 1.15 0.70 0.00 -0.23 0.00 0.00 178.00 180.88 1ron h ALA 14 N 0.77 1.96 0.06 -0.56 0.00 -1.93 0.97 119.26 120.52 1ron h ALA 14 Ca 0.04 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1ron h ALA 14 Cb 1.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1ron h ALA 14 CO 0.11 -0.84 -1.98 0.39 0.00 0.00 0.00 179.25 176.93 1ron n GLU 15 N -2.99 0.70 -0.05 0.00 -0.58 -0.10 -3.03 120.64 114.59 1ron n GLU 15 Ca 0.05 0.24 -0.16 0.00 -0.42 0.00 0.00 57.16 56.87 1ron n GLU 15 Cb 0.81 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.84 1ron n GLU 15 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1ron h ASP 16 N 0.03 0.09 -0.87 1.62 3.32 0.84 0.23 116.42 121.68 1ron h ASP 16 Ca -0.40 -0.95 0.17 0.00 0.02 0.00 0.00 57.03 55.87 1ron h ASP 16 Cb 2.03 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 41.49 1ron h ASP 16 CO 0.06 1.12 0.57 0.24 -1.72 0.00 0.00 179.24 179.52 1ron h MET 17 N -0.88 0.50 0.86 3.56 0.00 -0.69 1.91 114.93 120.19 1ron h MET 17 Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 59.70 59.57 1ron h MET 17 Cb 1.15 -0.11 0.01 0.00 0.00 0.00 0.00 31.60 32.65 1ron h MET 17 CO 0.01 0.33 -0.41 0.00 0.00 0.00 0.00 176.91 176.84 1ron h ALA 18 N 1.62 -1.24 0.00 6.32 0.00 -1.45 0.28 119.26 124.78 1ron h ALA 18 Ca 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ron h ALA 18 Cb 0.96 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ron h ALA 18 CO -0.19 -1.16 0.01 0.54 0.00 0.00 0.00 179.25 178.46 1ron n ARG 19 N -5.27 0.00 -0.06 0.00 1.74 0.13 -0.93 116.66 112.27 1ron n ARG 19 Ca -0.14 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 1ron n ARG 19 Cb 0.45 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.19 0.51 0.45 -1.55 4.02 0.60 0.12 117.16 120.12 1ron n TYR 20 Ca 0.00 0.17 0.07 0.00 -0.01 0.00 0.00 57.90 58.13 1ron n TYR 20 Cb 0.01 -1.09 0.31 0.00 -0.02 0.00 0.00 39.34 38.55 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 -2.96 0.10 -0.12 -0.72 4.01 -0.09 0.96 117.16 118.34 1ron n TYR 21 Ca -0.27 0.04 -0.25 0.00 -0.16 0.00 0.00 57.90 57.26 1ron n TYR 21 Cb 1.09 -0.57 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.60 1.64 0.37 7.72 2.88 -1.21 -3.97 113.62 119.46 1ron n SER 22 Ca 0.03 0.28 -0.17 0.00 -1.33 0.00 0.00 58.87 57.68 1ron n SER 22 Cb 0.16 -0.68 -0.09 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 -0.83 -0.94 -0.53 -1.46 0.00 0.17 0.86 119.26 116.53 1ron h ALA 23 Ca -0.59 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1ron h ALA 23 Cb 1.52 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1ron h ALA 23 CO -0.36 -0.97 0.12 -0.07 0.00 0.00 0.00 179.25 177.96 1ron h LEU 24 N -1.05 0.77 -0.10 0.00 -0.00 0.36 0.84 115.31 116.13 1ron h LEU 24 Ca -0.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1ron h LEU 24 Cb 0.75 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1ron h LEU 24 CO 0.16 0.76 0.05 -0.09 -0.00 0.00 0.00 178.44 179.32 1ron h ARG 25 N 0.79 0.14 -0.09 1.13 2.43 -1.46 0.27 114.38 117.59 1ron h ARG 25 Ca 0.17 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1ron h ARG 25 Cb 0.31 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1ron h ARG 25 CO 0.00 0.18 0.06 1.25 -1.51 0.00 0.00 179.97 179.95 1ron h HIS 26 N 0.06 0.10 0.46 2.20 2.76 0.23 -1.27 115.15 119.69 1ron h HIS 26 Ca 0.04 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1ron h HIS 26 Cb 0.08 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1ron h HIS 26 CO -0.04 0.06 -0.22 1.88 -1.30 0.00 0.00 177.93 178.31 1ron h TYR 27 N 0.10 -0.57 -1.02 5.26 -1.99 0.23 0.21 116.97 119.19 1ron h TYR 27 Ca 0.04 -0.01 0.28 0.00 2.00 0.00 0.00 58.73 61.04 1ron h TYR 27 Cb 0.02 0.19 -0.05 0.00 2.00 0.00 0.00 36.73 38.88 1ron h TYR 27 CO -0.00 -0.26 0.71 0.97 -0.00 0.00 0.00 178.16 179.58 1ron h ILE 28 N -0.81 0.51 0.04 -2.88 6.09 0.62 1.43 117.51 122.50 1ron h ILE 28 Ca -0.06 -0.04 -0.23 0.00 -1.37 0.00 0.00 64.86 63.16 1ron h ILE 28 Cb 0.56 0.39 -0.00 0.00 0.47 0.00 0.00 36.82 38.24 1ron h ILE 28 CO 0.10 0.02 -1.00 0.78 -3.07 0.00 0.00 178.15 174.98 1ron h ASN 29 N 0.11 0.42 0.08 2.19 2.35 -0.76 -1.43 115.58 118.54 1ron h ASN 29 Ca 0.51 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1ron h ASN 29 Cb 1.81 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 40.05 1ron h ASN 29 CO -0.08 1.20 -0.69 -0.11 -1.65 0.00 0.00 177.43 176.10 1ron n LEU 30 N -3.66 1.28 -0.09 1.61 -0.00 0.65 -4.20 117.00 112.59 1ron n LEU 30 Ca -0.06 -0.50 -0.18 0.00 -0.00 0.00 0.00 56.01 55.27 1ron n LEU 30 Cb 0.88 -0.04 -0.13 0.00 -0.00 0.00 0.00 43.42 44.13 1ron n LEU 30 CO 0.51 0.27 -1.17 0.00 -0.00 0.00 0.00 177.39 177.00 1ron n ILE 31 N -0.93 1.56 -0.26 1.96 3.06 0.46 -3.90 119.36 121.31 1ron n ILE 31 Ca 0.07 -0.63 0.06 0.00 -2.50 0.00 0.00 62.75 59.75 1ron n ILE 31 Cb 0.38 -1.39 0.18 0.00 0.54 0.00 0.00 39.64 39.35 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 0.02 0.37 -0.12 9.51 1.03 -1.41 0.94 112.91 123.24 1ron h THR 32 Ca -0.53 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 65.80 1ron h THR 32 Cb 1.97 0.21 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 1ron h THR 32 CO -0.03 0.03 -0.01 0.08 -0.01 0.00 0.00 175.52 175.58 1ron h ARG 33 N 0.15 0.17 0.25 0.00 0.11 -1.76 -1.99 114.38 111.32 1ron h ARG 33 Ca 0.43 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.48 1ron h ARG 33 Cb 0.78 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1ron h ARG 33 CO -0.63 0.21 -0.12 1.96 0.10 0.00 0.00 179.97 181.48 1ron h GLN 34 N 0.17 -0.33 -0.57 0.08 1.08 0.66 -3.26 115.11 112.94 1ron h GLN 34 Ca 0.04 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 1ron h GLN 34 Cb 0.14 0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 27.55 1ron h GLN 34 CO 0.00 0.01 -0.07 0.00 -0.95 0.00 0.00 178.83 177.83 1ron h ARG 35 N -0.73 0.06 -0.01 1.46 3.08 -0.42 -3.51 114.38 114.30 1ron h ARG 35 Ca -0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ron h ARG 35 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1ron h ARG 35 CO 0.06 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.65