#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x22 s LYS 2 N 0.00 0.36 -0.70 1.61 2.20 -1.26 -4.05 119.74 117.90 1x22 s LYS 2 Ca 0.00 1.19 -0.13 0.00 -0.36 0.00 0.00 55.97 56.67 1x22 s LYS 2 Cb 0.00 -1.68 0.02 0.00 -1.51 0.00 0.00 37.83 34.66 1x22 s LYS 2 CO 0.00 -2.96 0.62 1.51 -0.36 0.00 0.00 175.35 174.16 1x22 n ILE 3 N -4.43 -3.64 -1.71 5.43 3.06 -1.26 -4.66 119.36 112.15 1x22 n ILE 3 Ca 0.08 0.02 -0.18 0.00 -2.50 0.00 0.00 62.75 60.17 1x22 n ILE 3 Cb 0.53 -3.20 -0.09 0.00 0.54 0.00 0.00 39.64 37.42 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1x22 s PRO 4 N -4.10 1.57 0.14 9.51 0.04 -1.26 -4.69 135.00 136.22 1x22 s PRO 4 Ca 0.13 -0.37 -0.02 0.00 0.04 0.00 0.00 61.00 60.78 1x22 s PRO 4 Cb -0.01 -4.99 -0.07 0.00 0.04 0.00 0.00 34.50 29.47 1x22 s PRO 4 CO 0.89 -4.91 1.33 0.28 0.04 0.00 0.00 177.00 174.63 1x22 h VAL 5 N 6.84 1.44 0.00 -0.36 2.07 -1.92 -2.10 116.25 122.21 1x22 h VAL 5 Ca 0.05 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1x22 h VAL 5 Cb 0.99 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1x22 h VAL 5 CO 1.06 0.75 0.00 0.11 0.02 0.00 0.00 177.57 179.51 1x22 h LYS 6 N 0.18 0.00 0.11 1.57 1.57 -1.98 0.49 116.57 118.52 1x22 h LYS 6 Ca -0.07 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.38 1x22 h LYS 6 Cb 1.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1x22 h LYS 6 CO 0.15 0.00 -1.80 0.00 -0.57 0.00 0.00 179.45 177.23 1x22 h ALA 7 N 2.06 0.35 0.00 3.86 0.00 -1.89 -2.96 119.26 120.68 1x22 h ALA 7 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 54.91 53.50 1x22 h ALA 7 Cb 0.25 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1x22 h ALA 7 CO 0.00 1.14 -0.47 0.97 0.00 0.00 0.00 179.25 180.89 1x22 h ILE 8 N -0.13 1.26 0.04 0.00 2.10 -0.82 -2.26 117.51 117.71 1x22 h ILE 8 Ca -0.39 -1.67 -0.00 0.00 1.08 0.00 0.00 64.86 63.88 1x22 h ILE 8 Cb 1.90 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 39.55 1x22 h ILE 8 CO 0.05 0.46 -0.02 0.50 -1.08 0.00 0.00 178.15 178.07 1x22 h LYS 9 N 0.00 -0.05 -0.79 2.19 3.64 -0.16 0.62 116.57 122.03 1x22 h LYS 9 Ca -0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1x22 h LYS 9 Cb 0.88 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1x22 h LYS 9 CO 0.06 0.47 0.51 0.87 -2.27 0.00 0.00 179.45 179.10 1x22 h LYS 10 N -0.60 0.65 -0.23 1.90 1.57 -1.45 0.44 116.57 118.84 1x22 h LYS 10 Ca -0.01 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 1x22 h LYS 10 Cb 0.55 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1x22 h LYS 10 CO 0.01 0.43 -0.57 0.00 -0.57 0.00 0.00 179.45 178.75 1x22 h ALA 11 N 1.61 0.39 0.00 3.86 0.00 -1.33 -2.50 119.26 121.28 1x22 h ALA 11 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x22 h ALA 11 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x22 h ALA 11 CO -0.14 0.62 0.00 0.78 0.00 0.00 0.00 179.25 180.51 1x22 h GLY 12 N 0.55 0.00 0.00 0.00 0.00 0.12 0.16 103.07 103.91 1x22 h GLY 12 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1x22 h GLY 12 CO 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.48 1x22 h ALA 13 N 2.04 0.02 -0.76 3.60 0.00 -0.78 -2.54 119.26 120.85 1x22 h ALA 13 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1x22 h ALA 13 Cb 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1x22 h ALA 13 CO 0.00 0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.81 1x22 h ALA 14 N -0.71 1.31 -0.37 0.00 0.00 -1.24 -2.12 119.26 116.12 1x22 h ALA 14 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1x22 h ALA 14 Cb 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1x22 h ALA 14 CO -0.02 0.57 0.19 0.97 0.00 0.00 0.00 179.25 180.96 1x22 h ILE 15 N 1.06 1.16 -0.77 0.00 -0.00 -0.84 -2.19 117.51 115.93 1x22 h ILE 15 Ca 0.27 -0.45 0.18 0.00 -0.00 0.00 0.00 64.86 64.86 1x22 h ILE 15 Cb 0.02 0.77 -0.12 0.00 -0.00 0.00 0.00 36.82 37.49 1x22 h ILE 15 CO -0.04 0.17 0.16 1.23 -0.00 0.00 0.00 178.15 179.66 1x22 h GLY 16 N 0.47 1.06 1.77 8.18 0.00 -0.93 0.97 103.07 114.58 1x22 h GLY 16 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1x22 h GLY 16 CO -0.02 -0.26 -0.14 0.50 0.00 0.00 0.00 176.54 176.63 1x22 h LYS 17 N 0.22 0.29 -0.64 4.80 6.56 -1.22 -2.51 116.57 124.06 1x22 h LYS 17 Ca 0.45 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.92 1x22 h LYS 17 Cb 0.80 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.40 1x22 h LYS 17 CO -0.58 0.43 0.24 0.78 -2.06 0.00 0.00 179.45 178.27 1x22 h GLY 18 N 0.80 1.04 1.02 3.86 0.00 0.15 -1.83 103.07 108.12 1x22 h GLY 18 Ca 0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1x22 h GLY 18 CO 0.02 0.55 0.43 1.41 0.00 0.00 0.00 176.54 178.95 1x22 h LEU 19 N 0.91 1.02 -2.02 3.11 3.38 -0.66 0.20 115.31 121.25 1x22 h LEU 19 Ca 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x22 h LEU 19 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x22 h LEU 19 CO -0.01 0.83 -0.01 -0.09 0.09 0.00 0.00 178.44 179.24 1x22 h ARG 20 N 1.12 0.00 0.09 1.13 2.43 -1.21 -2.41 114.38 115.53 1x22 h ARG 20 Ca 0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1x22 h ARG 20 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1x22 h ARG 20 CO -0.04 0.01 -0.04 0.00 -1.51 0.00 0.00 179.97 178.39 1x22 h ALA 21 N 1.99 -0.12 -0.01 2.80 0.00 -0.14 -2.52 119.26 121.26 1x22 h ALA 21 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x22 h ALA 21 Cb 0.33 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x22 h ALA 21 CO 0.00 -0.17 0.06 -0.84 0.00 0.00 0.00 179.25 178.30 1x22 h ILE 22 N -0.92 0.05 0.02 0.00 -0.00 -1.16 -0.51 117.51 115.00 1x22 h ILE 22 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.85 1x22 h ILE 22 Cb 0.54 0.95 0.00 0.00 -0.00 0.00 0.00 36.82 38.31 1x22 h ILE 22 CO 0.02 0.00 -0.01 0.78 -0.00 0.00 0.00 178.15 178.94 1x22 h ASN 23 N 0.00 -0.03 -0.35 2.16 2.35 -1.43 0.30 115.58 118.59 1x22 h ASN 23 Ca 0.00 -0.71 -0.01 0.00 -0.55 0.00 0.00 56.30 55.03 1x22 h ASN 23 Cb 0.11 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1x22 h ASN 23 CO -0.00 0.76 0.20 0.16 -1.65 0.00 0.00 177.43 176.90 1x22 h ILE 24 N -0.88 1.12 0.01 2.81 3.07 -0.89 -0.77 117.51 121.98 1x22 h ILE 24 Ca -0.00 -0.31 -0.21 0.00 1.55 0.00 0.00 64.86 65.89 1x22 h ILE 24 Cb 0.74 0.62 -0.01 0.00 -0.27 0.00 0.00 36.82 37.90 1x22 h ILE 24 CO 0.01 0.13 -0.91 0.00 -1.05 0.00 0.00 178.15 176.32 1x22 h ALA 25 N 1.71 0.45 0.00 0.16 0.00 -1.18 -2.35 119.26 118.05 1x22 h ALA 25 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x22 h ALA 25 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1x22 h ALA 25 CO -0.02 0.90 0.00 1.03 0.00 0.00 0.00 179.25 181.16 1x22 h SER 26 N 0.13 0.00 0.00 0.00 0.87 0.47 -2.80 113.55 112.23 1x22 h SER 26 Ca -0.06 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.30 1x22 h SER 26 Cb 1.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.48 1x22 h SER 26 CO 0.14 0.00 -1.19 0.41 -0.53 0.00 0.00 176.83 175.66 1x22 n THR 27 N -2.53 1.52 -0.23 2.23 -1.04 -0.64 -3.76 114.28 109.83 1x22 n THR 27 Ca 0.00 -0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1x22 n THR 27 Cb 0.17 -2.08 0.10 0.00 -1.82 0.00 0.00 70.33 66.69 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 -0.57 0.54 -0.70 2.41 0.00 -1.26 0.80 119.26 120.48 1x22 h ALA 28 Ca -0.31 0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1x22 h ALA 28 Cb 1.21 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1x22 h ALA 28 CO -0.19 -0.42 0.46 1.25 0.00 0.00 0.00 179.25 180.36 1x22 h HIS 29 N 0.03 0.74 -0.61 0.00 -0.00 -1.69 -0.59 115.15 113.03 1x22 h HIS 29 Ca 0.35 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1x22 h HIS 29 Cb 0.55 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1x22 h HIS 29 CO -0.50 0.40 0.06 0.22 -0.00 0.00 0.00 177.93 178.10 1x22 h ASP 30 N 0.74 0.98 0.00 3.26 3.58 0.43 -2.09 116.42 123.33 1x22 h ASP 30 Ca 0.30 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1x22 h ASP 30 Cb 0.24 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1x22 h ASP 30 CO -0.10 1.00 0.00 0.52 -2.88 0.00 0.00 179.24 177.79 1x22 n VAL 31 N -4.20 0.00 -0.57 2.25 0.31 -0.07 -2.13 118.33 113.91 1x22 n VAL 31 Ca 0.04 1.39 0.47 0.00 -0.01 0.00 0.00 64.34 66.23 1x22 n VAL 31 Cb 0.31 -2.39 0.78 0.00 -0.91 0.00 0.00 33.84 31.62 1x22 n VAL 31 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1x22 h TYR 32 N 0.00 0.00 0.06 3.52 0.05 -1.47 0.46 116.97 119.59 1x22 h TYR 32 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1x22 h TYR 32 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1x22 h TYR 32 CO 0.20 0.00 -0.06 1.03 -1.05 0.00 0.00 178.16 178.28 1x22 h SER 33 N 0.00 -0.18 -0.12 3.88 0.87 -0.84 -2.07 113.55 115.09 1x22 h SER 33 Ca 0.81 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 1x22 h SER 33 Cb 3.34 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 65.36 1x22 h SER 33 CO -0.01 -0.09 0.00 0.49 -0.53 0.00 0.00 176.83 176.70 1x22 n PHE 34 N -2.67 0.16 -0.00 2.24 3.01 0.31 -3.65 117.46 116.87 1x22 n PHE 34 Ca -0.02 -0.08 -0.22 0.00 1.01 0.00 0.00 57.45 58.15 1x22 n PHE 34 Cb 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 1x22 n PHE 34 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1x22 h PHE 35 N 0.73 0.41 -0.79 1.38 3.04 0.26 -3.18 116.94 118.80 1x22 h PHE 35 Ca 0.00 -0.30 0.15 0.00 3.98 0.00 0.00 57.97 61.80 1x22 h PHE 35 Cb 0.17 -0.02 -0.14 0.00 2.56 0.00 0.00 35.95 38.52 1x22 h PHE 35 CO 0.08 1.63 -0.23 1.63 -2.02 0.00 0.00 178.31 179.41 1x22 n LYS 36 N -3.83 -0.10 0.12 1.11 5.02 -0.82 0.25 118.16 119.91 1x22 n LYS 36 Ca -0.28 1.22 0.03 0.00 -2.02 0.00 0.00 58.31 57.26 1x22 n LYS 36 Cb 0.93 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1x22 h PRO 37 N 0.00 0.00 0.00 1.97 0.14 -1.83 -3.37 132.00 128.91 1x22 h PRO 37 Ca 0.35 0.00 -0.06 0.00 0.14 0.00 0.00 66.00 66.43 1x22 h PRO 37 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.68 1x22 h PRO 37 CO -0.80 0.39 -0.35 0.87 0.14 0.00 0.00 178.00 178.24 1x22 h LYS 38 N 0.00 0.00 -0.21 0.86 1.57 0.17 -3.38 116.57 115.57 1x22 h LYS 38 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1x22 h LYS 38 Cb 1.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1x22 h LYS 38 CO 0.05 0.93 -0.13 0.72 -0.57 0.00 0.00 179.45 180.46 1x22 n HIS 39 N -4.57 -0.09 -2.04 -1.35 8.25 0.71 -4.88 115.22 111.24 1x22 n HIS 39 Ca -0.15 0.27 -0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1x22 n HIS 39 Cb 0.51 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1x22 n HIS 39 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x22 n LYS 40 N -3.36 -0.48 0.13 -0.41 3.00 -1.26 -4.99 118.16 110.79 1x22 n LYS 40 Ca 0.00 0.79 -0.07 0.00 -0.00 0.00 0.00 58.31 59.03 1x22 n LYS 40 Cb 0.06 -2.96 -0.04 0.00 0.00 0.00 0.00 35.03 32.09 1x22 n LYS 40 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1x22 h LYS 41 N 0.11 -0.40 -0.02 1.64 1.63 -1.89 -3.54 116.57 114.08 1x22 h LYS 41 Ca -0.02 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1x22 h LYS 41 Cb 1.01 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1x22 h LYS 41 CO 0.11 -0.27 0.00 1.63 -3.45 0.00 0.00 179.45 177.47