#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 0.00 -4.33 1.61 2.85 -1.26 -5.18 118.16 111.85 1x22 n LYS 2 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 1x22 n LYS 2 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1x22 n LYS 2 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 1x22 s ILE 3 N -2.00 2.83 -0.84 0.58 -4.36 -1.26 -5.02 121.20 111.14 1x22 s ILE 3 Ca 0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1x22 s ILE 3 Cb 0.00 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.89 1x22 s ILE 3 CO 0.00 -0.27 2.24 -2.65 0.24 0.00 0.00 174.94 174.50 1x22 n PRO 4 N -0.91 2.10 0.08 0.37 -0.02 -1.26 -4.44 135.00 130.93 1x22 n PRO 4 Ca -0.05 -1.39 -0.07 0.00 -2.02 0.00 0.00 63.50 59.97 1x22 n PRO 4 Cb 0.61 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.23 1.60 0.00 -1.45 2.07 -1.99 -2.80 116.25 116.91 1x22 h VAL 5 Ca 0.47 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1x22 h VAL 5 Cb 0.29 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1x22 h VAL 5 CO 1.30 0.85 0.00 0.11 0.02 0.00 0.00 177.57 179.85 1x22 h LYS 6 N 0.03 0.00 0.11 1.57 1.57 -1.99 0.28 116.57 118.14 1x22 h LYS 6 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 1x22 h LYS 6 Cb 1.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 1x22 h LYS 6 CO 0.13 0.00 -1.94 0.00 -0.57 0.00 0.00 179.45 177.07 1x22 h ALA 7 N 2.03 0.46 -0.19 3.86 0.00 -1.88 -2.35 119.26 121.19 1x22 h ALA 7 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 54.91 53.39 1x22 h ALA 7 Cb 0.19 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x22 h ALA 7 CO 0.00 1.33 -0.46 0.97 0.00 0.00 0.00 179.25 181.09 1x22 h ILE 8 N 0.07 1.31 0.01 0.00 2.10 -1.08 -0.27 117.51 119.65 1x22 h ILE 8 Ca -0.40 -1.65 -0.03 0.00 1.08 0.00 0.00 64.86 63.86 1x22 h ILE 8 Cb 2.04 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 1x22 h ILE 8 CO 0.09 0.51 -0.13 0.50 -1.08 0.00 0.00 178.15 178.05 1x22 h LYS 9 N 0.39 0.07 -0.10 2.19 3.64 -0.63 -2.94 116.57 119.20 1x22 h LYS 9 Ca 0.03 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1x22 h LYS 9 Cb 0.95 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1x22 h LYS 9 CO 0.08 0.91 0.11 -0.22 -2.27 0.00 0.00 179.45 178.07 1x22 h LYS 10 N -0.72 0.00 0.20 1.90 1.63 -1.42 -1.69 116.57 116.47 1x22 h LYS 10 Ca -0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1x22 h LYS 10 Cb 0.96 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1x22 h LYS 10 CO 0.03 0.00 -0.10 0.00 -3.45 0.00 0.00 179.45 175.93 1x22 h ALA 11 N 1.86 -0.27 -0.18 5.00 0.00 -0.99 -0.42 119.26 124.27 1x22 h ALA 11 Ca 0.05 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1x22 h ALA 11 Cb 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x22 h ALA 11 CO -0.00 -0.42 0.45 0.78 0.00 0.00 0.00 179.25 180.05 1x22 h GLY 12 N -0.72 0.00 0.00 0.00 0.00 -1.14 0.58 103.07 101.79 1x22 h GLY 12 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1x22 h GLY 12 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1x22 n ALA 13 N -2.03 0.00 0.18 3.60 0.00 -0.95 -2.90 120.51 118.41 1x22 n ALA 13 Ca 0.02 -0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.64 1x22 n ALA 13 Cb 0.54 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.74 1x22 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x22 h ALA 14 N -2.00 1.85 0.66 0.00 0.00 -0.69 -1.14 119.26 117.95 1x22 h ALA 14 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x22 h ALA 14 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1x22 h ALA 14 CO 0.00 -0.57 -0.32 0.82 0.00 0.00 0.00 179.25 179.18 1x22 h ILE 15 N 0.00 0.00 -1.15 0.00 1.08 0.04 0.19 117.51 117.68 1x22 h ILE 15 Ca 0.13 -0.32 0.36 0.00 -0.39 0.00 0.00 64.86 64.64 1x22 h ILE 15 Cb 0.99 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.62 1x22 h ILE 15 CO -0.00 0.00 0.71 1.23 -0.69 0.00 0.00 178.15 179.40 1x22 h GLY 16 N -1.21 1.54 0.36 5.37 0.00 -1.07 0.47 103.07 108.52 1x22 h GLY 16 Ca -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1x22 h GLY 16 CO 0.15 -0.38 -0.01 0.50 0.00 0.00 0.00 176.54 176.81 1x22 h LYS 17 N 0.23 -0.02 0.18 4.80 1.57 -1.35 -1.61 116.57 120.36 1x22 h LYS 17 Ca 0.74 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.53 1x22 h LYS 17 Cb 2.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.32 1x22 h LYS 17 CO -0.45 0.61 -0.28 0.78 -0.57 0.00 0.00 179.45 179.53 1x22 h GLY 18 N -0.66 -0.57 2.00 3.86 0.00 0.27 0.13 103.07 108.10 1x22 h GLY 18 Ca -0.00 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1x22 h GLY 18 CO 0.00 -0.24 -0.02 1.41 0.00 0.00 0.00 176.54 177.69 1x22 h LEU 19 N -0.54 0.00 0.28 3.11 3.38 -0.37 -2.30 115.31 118.87 1x22 h LEU 19 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1x22 h LEU 19 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1x22 h LEU 19 CO -0.12 0.02 -0.14 -0.09 0.09 0.00 0.00 178.44 178.20 1x22 h ARG 20 N 0.00 -0.36 -0.71 1.13 9.65 0.04 -0.62 114.38 123.51 1x22 h ARG 20 Ca -0.00 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.01 1x22 h ARG 20 Cb 0.07 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.66 1x22 h ARG 20 CO 0.00 -0.14 0.33 0.00 2.80 0.00 0.00 179.97 182.97 1x22 h ALA 21 N 0.14 0.97 -0.53 2.80 0.00 -0.77 0.31 119.26 122.18 1x22 h ALA 21 Ca -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1x22 h ALA 21 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1x22 h ALA 21 CO 0.06 -0.09 0.18 0.82 0.00 0.00 0.00 179.25 180.23 1x22 h ILE 22 N 0.56 1.20 0.60 0.00 5.03 -1.37 0.34 117.51 123.88 1x22 h ILE 22 Ca 0.36 -0.67 -0.03 0.00 -0.12 0.00 0.00 64.86 64.39 1x22 h ILE 22 Cb 0.41 0.60 0.01 0.00 -3.03 0.00 0.00 36.82 34.81 1x22 h ILE 22 CO -0.29 0.26 -0.29 0.78 -0.68 0.00 0.00 178.15 177.93 1x22 h ASN 23 N 0.76 -0.69 -0.18 1.72 2.35 0.61 0.27 115.58 120.43 1x22 h ASN 23 Ca 0.18 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 1x22 h ASN 23 Cb 0.20 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1x22 h ASN 23 CO -0.01 -0.38 0.14 -0.29 -1.65 0.00 0.00 177.43 175.23 1x22 h ILE 24 N -1.02 0.81 -0.07 2.81 6.09 -1.01 -1.02 117.51 124.10 1x22 h ILE 24 Ca -0.08 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.35 1x22 h ILE 24 Cb 0.62 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1x22 h ILE 24 CO 0.14 0.00 -0.18 0.00 -3.07 0.00 0.00 178.15 175.04 1x22 h ALA 25 N 1.89 0.11 0.00 0.18 0.00 -0.17 -1.86 119.26 119.42 1x22 h ALA 25 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x22 h ALA 25 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x22 h ALA 25 CO -0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1x22 n SER 26 N -4.57 0.00 -0.10 0.00 3.41 0.94 -2.92 113.62 110.39 1x22 n SER 26 Ca -0.08 0.25 -0.18 0.00 -0.26 0.00 0.00 58.87 58.60 1x22 n SER 26 Cb 0.41 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 1x22 n SER 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1x22 n THR 27 N -1.37 1.51 0.00 6.66 -1.04 -0.47 -4.05 114.28 115.51 1x22 n THR 27 Ca 0.05 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1x22 n THR 27 Cb 0.13 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x22 n ALA 28 N -3.51 0.00 -0.32 2.41 0.00 -0.72 0.87 120.51 119.23 1x22 n ALA 28 Ca -0.28 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.35 1x22 n ALA 28 Cb 0.60 0.34 0.39 0.00 0.00 0.00 0.00 19.45 20.78 1x22 n ALA 28 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1x22 h HIS 29 N 0.00 0.76 -0.57 0.00 2.07 -1.81 0.40 115.15 116.00 1x22 h HIS 29 Ca 0.00 0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1x22 h HIS 29 Cb 0.00 -0.18 -0.03 0.00 2.57 0.00 0.00 27.41 29.77 1x22 h HIS 29 CO -0.58 -0.13 0.28 0.22 -3.07 0.00 0.00 177.93 174.66 1x22 h ASP 30 N 0.35 0.75 0.00 3.10 1.82 0.33 -2.41 116.42 120.37 1x22 h ASP 30 Ca 0.65 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1x22 h ASP 30 Cb 1.37 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1x22 h ASP 30 CO -0.59 0.66 0.00 0.52 -1.61 0.00 0.00 179.24 178.23 1x22 n VAL 31 N -4.55 0.00 -0.62 2.25 0.31 0.16 -1.63 118.33 114.24 1x22 n VAL 31 Ca 0.03 1.18 0.48 0.00 -0.01 0.00 0.00 64.34 66.02 1x22 n VAL 31 Cb 0.12 -2.11 0.74 0.00 -0.91 0.00 0.00 33.84 31.68 1x22 n VAL 31 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1x22 n TYR 32 N -1.11 0.12 0.24 3.52 4.02 -0.95 0.27 117.16 123.26 1x22 n TYR 32 Ca 0.00 0.12 -0.09 0.00 -0.01 0.00 0.00 57.90 57.92 1x22 n TYR 32 Cb 0.00 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 38.70 1x22 n TYR 32 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1x22 h SER 33 N 0.00 -0.52 -0.39 7.72 0.87 -0.89 -3.00 113.55 117.35 1x22 h SER 33 Ca 0.87 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 61.34 1x22 h SER 33 Cb 3.37 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 65.40 1x22 h SER 33 CO -0.09 -0.36 0.14 2.22 -0.53 0.00 0.00 176.83 178.21 1x22 n PHE 34 N -3.69 1.29 -0.10 2.24 -1.74 0.11 -4.14 117.46 111.43 1x22 n PHE 34 Ca -0.08 -0.71 -0.19 0.00 -0.56 0.00 0.00 57.45 55.92 1x22 n PHE 34 Cb 0.24 -0.44 -0.08 0.00 1.52 0.00 0.00 39.48 40.72 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1x22 n PHE 35 N 0.05 0.73 -0.35 2.97 3.01 0.14 -4.28 117.46 119.73 1x22 n PHE 35 Ca 0.21 0.32 0.29 0.00 1.01 0.00 0.00 57.45 59.27 1x22 n PHE 35 Cb 0.89 -0.97 0.59 0.00 -0.01 0.00 0.00 39.48 39.99 1x22 n PHE 35 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1x22 h LYS 36 N -1.00 0.23 -0.03 -1.08 -0.00 -1.71 2.47 116.57 115.45 1x22 h LYS 36 Ca -0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 1x22 h LYS 36 Cb 1.17 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 1x22 h LYS 36 CO -0.19 0.15 0.00 -0.35 -0.00 0.00 0.00 179.45 179.06 1x22 n PRO 37 N -4.53 1.10 0.17 0.07 -0.05 -1.26 -4.45 135.00 126.05 1x22 n PRO 37 Ca 0.28 -0.15 0.00 0.00 -0.05 0.00 0.00 63.50 63.57 1x22 n PRO 37 Cb 1.08 -1.17 0.00 0.00 -0.05 0.00 0.00 33.50 33.36 1x22 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1x22 n LYS 38 N -0.51 0.00 0.00 0.54 5.02 0.33 -5.02 118.16 118.52 1x22 n LYS 38 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1x22 n LYS 38 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1x22 n HIS 39 N -3.35 0.00 -3.37 2.13 8.25 0.75 -1.25 115.22 118.37 1x22 n HIS 39 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1x22 n HIS 39 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1x22 n HIS 39 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x22 n LYS 40 N 0.00 1.00 -3.57 -0.41 2.85 -1.26 -5.00 118.16 111.76 1x22 n LYS 40 Ca 0.00 -3.61 -0.27 0.00 -1.05 0.00 0.00 58.31 53.38 1x22 n LYS 40 Cb 0.00 -1.65 -0.11 0.00 -0.65 0.00 0.00 35.03 32.62 1x22 n LYS 40 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1x22 n LYS 41 N 1.80 0.90 0.00 -1.58 4.81 -0.38 -5.24 118.16 118.47 1x22 n LYS 41 Ca 0.25 -3.72 0.09 0.00 -0.87 0.00 0.00 58.31 54.06 1x22 n LYS 41 Cb 0.47 -1.90 0.56 0.00 0.02 0.00 0.00 35.03 34.18 1x22 n LYS 41 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20