#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 n LYS 2 N 0.00 2.78 -0.02 1.61 3.00 -1.26 -4.82 118.16 119.44 1x22 n LYS 2 Ca 0.00 -4.29 -0.22 0.00 -0.00 0.00 0.00 58.31 53.81 1x22 n LYS 2 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 35.03 32.87 1x22 n LYS 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1x22 n ILE 3 N -0.28 1.72 -1.50 3.15 -0.00 -1.26 -4.86 119.36 116.33 1x22 n ILE 3 Ca 0.31 -0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 62.14 1x22 n ILE 3 Cb 0.62 -1.81 -0.11 0.00 -0.00 0.00 0.00 39.64 38.34 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1x22 n PRO 4 N -3.71 0.37 -0.27 0.38 -0.02 -1.26 -4.77 135.00 125.71 1x22 n PRO 4 Ca -0.32 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1x22 n PRO 4 Cb 0.96 -2.11 0.38 0.00 -0.02 0.00 0.00 33.50 32.71 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1x22 h VAL 5 N 7.80 0.82 0.00 -1.45 2.07 -1.99 1.35 116.25 124.86 1x22 h VAL 5 Ca -0.12 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1x22 h VAL 5 Cb 1.31 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1x22 h VAL 5 CO 1.28 0.12 0.00 0.11 0.02 0.00 0.00 177.57 179.11 1x22 h LYS 6 N 0.68 0.00 0.09 1.57 1.57 -1.99 -0.11 116.57 118.37 1x22 h LYS 6 Ca 0.45 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.95 1x22 h LYS 6 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1x22 h LYS 6 CO -0.21 0.00 -1.52 0.00 -0.57 0.00 0.00 179.45 177.15 1x22 h ALA 7 N 2.05 0.26 -0.51 3.86 0.00 0.13 -2.70 119.26 122.36 1x22 h ALA 7 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 54.91 53.80 1x22 h ALA 7 Cb 0.27 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1x22 h ALA 7 CO 0.00 0.92 0.34 0.82 0.00 0.00 0.00 179.25 181.33 1x22 h ILE 8 N -0.36 0.92 -0.07 0.00 5.03 -0.08 0.13 117.51 123.09 1x22 h ILE 8 Ca -0.34 -0.12 -0.23 0.00 -0.12 0.00 0.00 64.86 64.05 1x22 h ILE 8 Cb 1.73 0.54 0.01 0.00 -3.03 0.00 0.00 36.82 36.07 1x22 h ILE 8 CO 0.01 0.06 -0.89 0.11 -0.68 0.00 0.00 178.15 176.77 1x22 h LYS 9 N 0.35 0.63 -1.00 2.37 1.57 -1.13 -2.46 116.57 116.90 1x22 h LYS 9 Ca 0.23 -0.60 0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1x22 h LYS 9 Cb 0.44 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 1x22 h LYS 9 CO -0.06 1.21 0.64 -0.22 -0.57 0.00 0.00 179.45 180.45 1x22 h LYS 10 N 0.40 1.06 -0.31 3.15 1.63 -0.44 0.17 116.57 122.22 1x22 h LYS 10 Ca -0.08 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.52 1x22 h LYS 10 Cb 1.51 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1x22 h LYS 10 CO 0.17 0.70 -0.36 0.00 -3.45 0.00 0.00 179.45 176.51 1x22 h ALA 11 N 1.49 0.47 0.00 5.00 0.00 -1.17 -2.22 119.26 122.83 1x22 h ALA 11 Ca 0.46 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x22 h ALA 11 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x22 h ALA 11 CO -0.22 0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1x22 n GLY 12 N 0.20 -0.89 0.07 0.00 0.00 -0.38 -1.40 105.19 102.80 1x22 n GLY 12 Ca -0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1x22 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x22 h ALA 13 N 2.45 0.04 -0.55 4.61 0.00 -0.11 -1.37 119.26 124.34 1x22 h ALA 13 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1x22 h ALA 13 Cb 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1x22 h ALA 13 CO 0.00 0.17 0.01 0.00 0.00 0.00 0.00 179.25 179.43 1x22 h ALA 14 N -0.47 0.74 -0.34 0.00 0.00 -1.36 -1.75 119.26 116.08 1x22 h ALA 14 Ca -0.06 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1x22 h ALA 14 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x22 h ALA 14 CO -0.03 0.55 -0.28 0.82 0.00 0.00 0.00 179.25 180.31 1x22 h ILE 15 N 0.84 1.28 -0.54 0.00 5.03 -1.39 -2.65 117.51 120.08 1x22 h ILE 15 Ca 0.16 -1.40 -0.05 0.00 -0.12 0.00 0.00 64.86 63.45 1x22 h ILE 15 Cb 0.52 1.32 -0.03 0.00 -3.03 0.00 0.00 36.82 35.61 1x22 h ILE 15 CO 0.03 0.46 0.15 1.23 -0.68 0.00 0.00 178.15 179.33 1x22 h GLY 16 N 0.98 0.88 1.56 5.37 0.00 -0.95 -1.85 103.07 109.05 1x22 h GLY 16 Ca 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1x22 h GLY 16 CO 0.06 0.46 -0.14 1.70 0.00 0.00 0.00 176.54 178.62 1x22 h LYS 17 N 0.79 0.53 -0.31 4.80 3.11 -1.08 -2.81 116.57 121.60 1x22 h LYS 17 Ca 0.18 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.81 1x22 h LYS 17 Cb 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1x22 h LYS 17 CO -0.00 0.66 0.03 0.78 -2.81 0.00 0.00 179.45 178.11 1x22 h GLY 18 N 0.95 0.58 0.31 5.01 0.00 -1.02 -2.45 103.07 106.45 1x22 h GLY 18 Ca 0.09 -0.40 0.15 0.00 0.00 0.00 0.00 47.33 47.17 1x22 h GLY 18 CO 0.03 0.37 0.62 1.41 0.00 0.00 0.00 176.54 178.98 1x22 h LEU 19 N 0.35 0.86 -0.40 3.11 3.38 -1.13 0.45 115.31 121.93 1x22 h LEU 19 Ca 0.09 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1x22 h LEU 19 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1x22 h LEU 19 CO 0.01 0.39 0.17 -0.09 0.09 0.00 0.00 178.44 179.01 1x22 h ARG 20 N 0.89 0.60 -0.43 1.13 2.43 -1.26 0.35 114.38 118.09 1x22 h ARG 20 Ca 0.54 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.51 1x22 h ARG 20 Cb 0.69 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1x22 h ARG 20 CO -0.32 0.55 -0.08 0.00 -1.51 0.00 0.00 179.97 178.61 1x22 h ALA 21 N 1.01 0.58 -0.24 2.80 0.00 -0.55 -2.85 119.26 120.01 1x22 h ALA 21 Ca 0.13 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1x22 h ALA 21 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x22 h ALA 21 CO -0.01 0.45 -0.23 0.82 0.00 0.00 0.00 179.25 180.27 1x22 h ILE 22 N 0.63 1.26 0.14 0.00 5.03 -0.00 -2.96 117.51 121.61 1x22 h ILE 22 Ca 0.11 -1.21 -0.00 0.00 -0.12 0.00 0.00 64.86 63.63 1x22 h ILE 22 Cb 0.61 1.33 -0.00 0.00 -3.03 0.00 0.00 36.82 35.73 1x22 h ILE 22 CO 0.04 0.38 -0.13 -1.13 -0.68 0.00 0.00 178.15 176.63 1x22 h ASN 23 N 0.40 -0.35 -0.94 1.72 -0.73 -0.08 0.41 115.58 116.01 1x22 h ASN 23 Ca 0.06 0.03 0.26 0.00 1.87 0.00 0.00 56.30 58.52 1x22 h ASN 23 Cb 0.63 0.11 -0.17 0.00 0.27 0.00 0.00 38.32 39.16 1x22 h ASN 23 CO 0.05 -0.17 0.09 -0.29 -0.37 0.00 0.00 177.43 176.73 1x22 h ILE 24 N -0.27 0.11 0.02 2.57 -0.00 -1.54 0.41 117.51 118.81 1x22 h ILE 24 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1x22 h ILE 24 Cb 0.23 0.05 0.00 0.00 -0.00 0.00 0.00 36.82 37.10 1x22 h ILE 24 CO -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 178.15 178.14 1x22 h ALA 25 N 1.91 -0.03 0.00 0.18 0.00 -1.28 0.19 119.26 120.24 1x22 h ALA 25 Ca 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1x22 h ALA 25 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x22 h ALA 25 CO -0.83 -0.47 0.21 1.03 0.00 0.00 0.00 179.25 179.18 1x22 h SER 26 N -0.12 0.00 0.67 0.00 0.87 0.40 0.75 113.55 116.13 1x22 h SER 26 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1x22 h SER 26 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1x22 h SER 26 CO 0.00 0.00 -1.43 0.41 -0.53 0.00 0.00 176.83 175.28 1x22 n THR 27 N -2.91 1.03 0.01 2.23 -1.04 -0.07 -4.14 114.28 109.40 1x22 n THR 27 Ca -0.02 -0.67 -0.01 0.00 -2.04 0.00 0.00 64.05 61.31 1x22 n THR 27 Cb 0.26 -0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x22 h ALA 28 N 1.53 -0.68 -0.91 2.41 0.00 0.35 0.12 119.26 122.08 1x22 h ALA 28 Ca -0.15 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.00 1x22 h ALA 28 Cb 1.49 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.51 1x22 h ALA 28 CO 0.03 -0.69 0.35 1.12 0.00 0.00 0.00 179.25 180.07 1x22 h HIS 29 N -0.05 0.56 -0.24 0.00 2.07 -1.77 1.18 115.15 116.91 1x22 h HIS 29 Ca -0.00 0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 57.56 1x22 h HIS 29 Cb 0.05 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 29.91 1x22 h HIS 29 CO -0.18 -0.15 0.11 0.22 -3.07 0.00 0.00 177.93 174.86 1x22 h ASP 30 N 0.29 0.28 0.00 3.10 1.82 -1.60 -0.46 116.42 119.85 1x22 h ASP 30 Ca 0.59 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 57.16 1x22 h ASP 30 Cb 1.21 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1x22 h ASP 30 CO -0.61 0.25 -0.31 0.58 -1.61 0.00 0.00 179.24 177.53 1x22 h VAL 31 N 0.32 1.14 0.00 2.25 2.07 0.39 -3.00 116.25 119.42 1x22 h VAL 31 Ca 0.08 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1x22 h VAL 31 Cb 0.04 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1x22 h VAL 31 CO -0.01 0.38 0.10 1.88 0.02 0.00 0.00 177.57 179.94 1x22 h TYR 32 N -1.00 0.00 0.00 1.57 0.05 -0.08 0.55 116.97 118.06 1x22 h TYR 32 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1x22 h TYR 32 Cb 0.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1x22 h TYR 32 CO 0.15 0.00 -0.08 1.03 -1.05 0.00 0.00 178.16 178.21 1x22 h SER 33 N 0.00 0.00 0.36 3.88 0.87 -1.16 -3.31 113.55 114.19 1x22 h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x22 h SER 33 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1x22 h SER 33 CO 0.00 0.48 0.00 0.49 -0.53 0.00 0.00 176.83 177.27 1x22 n PHE 34 N -4.42 0.14 0.00 2.24 3.72 -0.96 -4.00 117.46 114.17 1x22 n PHE 34 Ca -0.01 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1x22 n PHE 34 Cb 0.04 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1x22 n PHE 34 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1x22 n PHE 35 N -1.63 0.00 0.00 1.38 7.35 0.19 -3.86 117.46 120.89 1x22 n PHE 35 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1x22 n PHE 35 Cb 0.12 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.95 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1x22 n LYS 36 N -0.58 0.00 -1.73 -4.13 5.02 -1.26 -3.76 118.16 111.72 1x22 n LYS 36 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1x22 n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x22 s PRO 37 N 0.00 3.04 -0.37 1.97 0.04 -1.25 -1.75 135.00 136.68 1x22 s PRO 37 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1x22 s PRO 37 Cb 0.00 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1x22 s PRO 37 CO 0.00 -2.21 0.00 1.17 0.04 0.00 0.00 177.00 176.00 1x22 n LYS 38 N 8.72 -0.42 -4.27 4.56 3.00 -1.26 -5.01 118.16 123.48 1x22 n LYS 38 Ca 0.28 0.50 -0.15 0.00 -0.00 0.00 0.00 58.31 58.94 1x22 n LYS 38 Cb 0.47 -4.10 -0.10 0.00 0.00 0.00 0.00 35.03 31.29 1x22 n LYS 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1x22 s HIS 39 N -2.04 1.35 1.02 5.64 3.76 -0.72 -5.12 115.29 119.18 1x22 s HIS 39 Ca 0.00 -0.99 -0.13 0.00 -0.15 0.00 0.00 55.06 53.78 1x22 s HIS 39 Cb 0.00 -0.77 0.20 0.00 1.11 0.00 0.00 32.58 33.12 1x22 s HIS 39 CO 0.00 -0.16 1.10 0.15 -0.85 0.00 0.00 174.74 174.98 1x22 s LYS 40 N -3.90 0.22 0.35 1.40 1.02 -1.26 -4.50 119.74 113.07 1x22 s LYS 40 Ca 0.26 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1x22 s LYS 40 Cb 0.06 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1x22 s LYS 40 CO 0.06 -2.84 0.00 1.63 -0.92 0.00 0.00 175.35 173.28 1x22 n LYS 41 N -4.23 -2.67 -0.55 1.68 4.01 -1.26 -4.28 118.16 110.86 1x22 n LYS 41 Ca 0.06 2.04 0.00 0.00 -0.51 0.00 0.00 58.31 59.90 1x22 n LYS 41 Cb 0.58 -2.44 0.00 0.00 -0.51 0.00 0.00 35.03 32.66 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46