#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 1.07 -0.77 1.61 -0.14 -1.26 -5.01 119.74 115.25 1x22 s LYS 2 Ca 0.00 -0.61 -0.17 0.00 -1.36 0.00 0.00 55.97 53.83 1x22 s LYS 2 Cb 0.00 0.36 0.02 0.00 -1.68 0.00 0.00 37.83 36.53 1x22 s LYS 2 CO 0.00 -0.49 0.32 1.51 -0.76 0.00 0.00 175.35 175.93 1x22 n ILE 3 N -0.51 -1.35 0.29 2.17 0.13 -1.26 -4.76 119.36 114.08 1x22 n ILE 3 Ca -0.06 -0.34 -0.07 0.00 -1.10 0.00 0.00 62.75 61.18 1x22 n ILE 3 Cb 0.61 -1.17 0.06 0.00 -0.84 0.00 0.00 39.64 38.31 1x22 n ILE 3 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1x22 n PRO 4 N -3.37 1.47 0.12 9.51 -0.04 -1.26 -4.12 135.00 137.31 1x22 n PRO 4 Ca -0.09 -0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 62.38 1x22 n PRO 4 Cb 0.35 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1x22 n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1x22 h VAL 5 N 0.40 1.19 0.00 0.52 2.07 -1.99 -2.91 116.25 115.53 1x22 h VAL 5 Ca 0.19 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.14 1x22 h VAL 5 Cb 1.56 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1x22 h VAL 5 CO 0.34 0.65 -0.07 0.50 0.02 0.00 0.00 177.57 179.02 1x22 h LYS 6 N 0.00 0.00 0.22 1.57 1.63 -1.97 0.38 116.57 118.40 1x22 h LYS 6 Ca -0.01 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 1x22 h LYS 6 Cb 1.45 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.11 1x22 h LYS 6 CO 0.09 0.07 -1.51 0.00 -3.45 0.00 0.00 179.45 174.64 1x22 h ALA 7 N 1.93 -0.04 -0.91 5.00 0.00 -1.85 -2.94 119.26 120.46 1x22 h ALA 7 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1x22 h ALA 7 Cb 0.21 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1x22 h ALA 7 CO 0.01 0.78 0.51 0.82 0.00 0.00 0.00 179.25 181.36 1x22 h ILE 8 N 0.07 1.26 -0.52 0.00 2.04 -1.02 -2.23 117.51 117.11 1x22 h ILE 8 Ca -0.28 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1x22 h ILE 8 Cb 2.09 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1x22 h ILE 8 CO 0.22 0.29 0.32 0.50 0.00 0.00 0.00 178.15 179.49 1x22 h LYS 9 N 1.27 0.70 -0.86 2.37 3.64 -0.37 -2.10 116.57 121.23 1x22 h LYS 9 Ca 0.32 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.79 1x22 h LYS 9 Cb 0.01 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.59 1x22 h LYS 9 CO -0.05 0.50 0.44 0.87 -2.27 0.00 0.00 179.45 178.94 1x22 h LYS 10 N 0.70 0.60 -0.15 1.90 1.57 -1.21 0.32 116.57 120.29 1x22 h LYS 10 Ca 0.19 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1x22 h LYS 10 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1x22 h LYS 10 CO -0.04 0.39 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 1x22 h ALA 11 N 1.57 0.20 0.00 3.86 0.00 -1.18 -1.98 119.26 121.73 1x22 h ALA 11 Ca 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x22 h ALA 11 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x22 h ALA 11 CO -0.37 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.19 1x22 n GLY 12 N -0.30 -0.78 0.14 0.00 0.00 -0.52 -1.94 105.19 101.79 1x22 n GLY 12 Ca -0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 2.79 0.28 0.17 4.61 0.00 0.33 -2.11 119.26 125.33 1x22 h ALA 13 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 54.91 53.36 1x22 h ALA 13 Cb 0.13 0.55 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1x22 h ALA 13 CO 0.00 1.15 -1.36 0.00 0.00 0.00 0.00 179.25 179.05 1x22 h ALA 14 N 0.14 0.02 0.00 0.00 0.00 -1.18 -2.06 119.26 116.19 1x22 h ALA 14 Ca -0.37 -0.90 -0.20 0.00 0.00 0.00 0.00 54.91 53.44 1x22 h ALA 14 Cb 2.07 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.93 1x22 h ALA 14 CO 0.14 0.90 -0.93 0.82 0.00 0.00 0.00 179.25 180.17 1x22 h ILE 15 N 0.10 1.58 0.00 0.00 1.08 -1.56 -2.65 117.51 116.06 1x22 h ILE 15 Ca -0.19 -3.24 -0.19 0.00 -0.39 0.00 0.00 64.86 60.85 1x22 h ILE 15 Cb 2.05 2.78 -0.03 0.00 -3.07 0.00 0.00 36.82 38.55 1x22 h ILE 15 CO 0.22 0.90 -0.91 1.23 -0.69 0.00 0.00 178.15 178.91 1x22 h GLY 16 N 3.08 0.00 1.36 5.37 0.00 -1.46 -2.81 103.07 108.61 1x22 h GLY 16 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 1x22 h GLY 16 CO 0.12 0.00 -1.10 0.07 0.00 0.00 0.00 176.54 175.63 1x22 h LYS 17 N 0.00 0.55 0.22 4.80 5.09 -1.41 -1.85 116.57 123.98 1x22 h LYS 17 Ca -0.01 -0.66 -0.01 0.00 0.09 0.00 0.00 60.65 60.06 1x22 h LYS 17 Cb 1.63 0.21 0.00 0.00 0.10 0.00 0.00 32.23 34.17 1x22 h LYS 17 CO 0.12 1.27 -0.11 0.78 -2.09 0.00 0.00 179.45 179.42 1x22 h GLY 18 N 0.74 -0.31 2.00 0.07 0.00 -1.53 -2.41 103.07 101.62 1x22 h GLY 18 Ca -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1x22 h GLY 18 CO 0.20 -0.11 -0.09 1.41 0.00 0.00 0.00 176.54 177.95 1x22 h LEU 19 N -0.53 0.00 -0.59 3.11 3.38 -1.61 -2.37 115.31 116.70 1x22 h LEU 19 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1x22 h LEU 19 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1x22 h LEU 19 CO 0.05 0.09 0.05 0.03 0.09 0.00 0.00 178.44 178.75 1x22 h ARG 20 N 0.00 1.01 -0.36 1.13 3.08 -0.98 0.84 114.38 119.11 1x22 h ARG 20 Ca -0.00 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1x22 h ARG 20 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1x22 h ARG 20 CO 0.01 0.98 -0.00 0.00 -1.07 0.00 0.00 179.97 179.89 1x22 h ALA 21 N 0.99 0.48 0.00 0.04 0.00 -0.94 -1.58 119.26 118.25 1x22 h ALA 21 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1x22 h ALA 21 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1x22 h ALA 21 CO 0.02 0.25 -0.20 0.82 0.00 0.00 0.00 179.25 180.14 1x22 h ILE 22 N 0.44 0.57 -0.01 0.00 1.08 -1.37 -2.55 117.51 115.67 1x22 h ILE 22 Ca 0.10 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 1x22 h ILE 22 Cb 0.46 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1x22 h ILE 22 CO 0.02 0.19 -0.03 -1.13 -0.69 0.00 0.00 178.15 176.51 1x22 h ASN 23 N 0.00 0.03 -0.44 1.72 -0.73 -0.43 -0.72 115.58 115.02 1x22 h ASN 23 Ca -0.00 -0.66 -0.01 0.00 1.87 0.00 0.00 56.30 57.50 1x22 h ASN 23 Cb 0.61 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1x22 h ASN 23 CO 0.03 0.69 0.26 -0.29 -0.37 0.00 0.00 177.43 177.74 1x22 h ILE 24 N -0.62 1.14 0.01 2.57 6.09 -1.21 0.37 117.51 125.87 1x22 h ILE 24 Ca -0.00 -0.34 -0.21 0.00 -1.37 0.00 0.00 64.86 62.93 1x22 h ILE 24 Cb 0.69 0.52 -0.01 0.00 0.47 0.00 0.00 36.82 38.49 1x22 h ILE 24 CO 0.01 0.15 -0.93 0.00 -3.07 0.00 0.00 178.15 174.31 1x22 h ALA 25 N 1.65 0.44 -0.00 0.18 0.00 -1.48 -2.89 119.26 117.16 1x22 h ALA 25 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1x22 h ALA 25 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x22 h ALA 25 CO -0.03 0.92 -0.01 0.45 0.00 0.00 0.00 179.25 180.57 1x22 n SER 26 N -3.65 0.07 -0.07 0.00 2.88 -0.28 -3.52 113.62 109.05 1x22 n SER 26 Ca -0.04 -0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 57.06 1x22 n SER 26 Cb 0.84 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 64.08 1x22 n SER 26 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1x22 n THR 27 N -1.18 1.42 -0.32 2.46 -2.24 0.04 -3.10 114.28 111.36 1x22 n THR 27 Ca 0.16 0.21 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 1x22 n THR 27 Cb 0.22 -2.38 0.34 0.00 -2.10 0.00 0.00 70.33 66.41 1x22 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x22 h ALA 28 N -0.99 1.59 -0.22 6.98 0.00 -1.64 0.39 119.26 125.38 1x22 h ALA 28 Ca -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1x22 h ALA 28 Cb 0.56 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x22 h ALA 28 CO -0.01 -0.29 -0.11 1.25 0.00 0.00 0.00 179.25 180.09 1x22 h HIS 29 N 0.50 0.54 0.00 0.00 -0.00 -1.75 -2.63 115.15 111.80 1x22 h HIS 29 Ca 0.59 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.83 1x22 h HIS 29 Cb 1.11 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1x22 h HIS 29 CO -0.07 0.74 0.00 -0.44 -0.00 0.00 0.00 177.93 178.16 1x22 h ASP 30 N 0.17 0.00 0.13 3.26 3.32 -0.73 -2.34 116.42 120.23 1x22 h ASP 30 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1x22 h ASP 30 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1x22 h ASP 30 CO 0.03 0.00 -0.06 0.58 -1.72 0.00 0.00 179.24 178.07 1x22 h VAL 31 N 0.00 0.00 0.00 -1.35 2.07 -0.01 -0.84 116.25 116.12 1x22 h VAL 31 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1x22 h VAL 31 Cb 0.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1x22 h VAL 31 CO 0.00 0.00 0.15 0.10 0.02 0.00 0.00 177.57 177.84 1x22 h TYR 32 N -0.73 0.00 0.00 1.57 -0.00 -1.47 0.60 116.97 116.94 1x22 h TYR 32 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.71 1x22 h TYR 32 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.86 1x22 h TYR 32 CO 0.01 0.00 -0.06 0.77 -0.00 0.00 0.00 178.16 178.88 1x22 h SER 33 N 0.00 0.00 0.36 0.10 0.02 -1.46 -3.31 113.55 109.27 1x22 h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x22 h SER 33 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1x22 h SER 33 CO 0.00 0.49 0.00 0.33 -1.14 0.00 0.00 176.83 176.51 1x22 n PHE 34 N -4.54 0.81 0.00 3.45 7.35 -0.32 -3.95 117.46 120.25 1x22 n PHE 34 Ca -0.01 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1x22 n PHE 34 Cb 0.03 -1.09 0.00 0.00 0.35 0.00 0.00 39.48 38.77 1x22 n PHE 34 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1x22 n PHE 35 N -2.29 0.00 0.00 -5.13 3.01 0.21 -3.95 117.46 109.31 1x22 n PHE 35 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1x22 n PHE 35 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1x22 n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1x22 n LYS 36 N -0.53 0.00 -1.95 -1.08 4.01 -1.15 -3.85 118.16 113.61 1x22 n LYS 36 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1x22 n LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 1x22 n LYS 36 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1x22 s PRO 37 N 0.00 4.19 0.00 1.97 0.04 -1.25 -2.02 135.00 137.93 1x22 s PRO 37 Ca 0.00 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1x22 s PRO 37 Cb 0.00 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1x22 s PRO 37 CO 0.00 -0.80 0.00 1.63 0.04 0.00 0.00 177.00 177.87 1x22 n LYS 38 N 6.50 -0.97 0.00 4.56 4.01 -1.26 -4.87 118.16 126.13 1x22 n LYS 38 Ca 0.17 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 1x22 n LYS 38 Cb 0.42 -3.98 0.00 0.00 -0.51 0.00 0.00 35.03 30.95 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1x22 n HIS 39 N -2.49 0.00 -1.90 2.13 8.25 -0.86 -5.13 115.22 115.22 1x22 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1x22 n HIS 39 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 0.00 0.00 0.00 -0.41 4.81 -1.22 -4.90 118.16 116.44 1x22 n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x22 n LYS 40 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x22 n LYS 40 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1x22 n LYS 41 N 0.00 0.00 -0.30 1.64 3.00 -1.26 -2.93 118.16 118.30 1x22 n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1x22 n LYS 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57