#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 -0.08 -4.11 1.61 4.76 -1.26 -4.24 118.16 114.84 1x22 n LYS 2 Ca 0.00 1.49 -0.21 0.00 -2.87 0.00 0.00 58.31 56.73 1x22 n LYS 2 Cb 0.00 -2.26 -0.17 0.00 -1.84 0.00 0.00 35.03 30.77 1x22 n LYS 2 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1x22 s ILE 3 N -6.16 0.55 -0.65 -0.18 -1.16 -1.26 -5.05 121.20 107.28 1x22 s ILE 3 Ca -0.14 -0.10 -0.16 0.00 -0.51 0.00 0.00 60.65 59.74 1x22 s ILE 3 Cb 0.27 -0.59 -0.15 0.00 0.61 0.00 0.00 42.46 42.60 1x22 s ILE 3 CO 0.75 0.24 1.73 -2.65 -2.81 0.00 0.00 174.94 172.20 1x22 n PRO 4 N 4.23 0.09 -0.15 3.50 -0.02 -1.26 -4.70 135.00 136.69 1x22 n PRO 4 Ca -0.22 -0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 60.33 1x22 n PRO 4 Cb 0.51 -2.63 0.04 0.00 -0.02 0.00 0.00 33.50 31.39 1x22 n PRO 4 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1x22 h VAL 5 N 6.92 0.99 0.00 -1.45 3.04 -1.97 0.38 116.25 124.17 1x22 h VAL 5 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1x22 h VAL 5 Cb 1.01 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1x22 h VAL 5 CO 1.04 0.09 0.09 0.11 -1.01 0.00 0.00 177.57 177.89 1x22 h LYS 6 N 0.50 0.00 0.17 4.17 1.57 -2.00 0.12 116.57 121.09 1x22 h LYS 6 Ca 0.20 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.63 1x22 h LYS 6 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x22 h LYS 6 CO -0.12 0.00 -1.74 0.00 -0.57 0.00 0.00 179.45 177.02 1x22 h ALA 7 N 1.82 0.19 0.00 3.86 0.00 -0.74 -3.04 119.26 121.35 1x22 h ALA 7 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 54.91 53.72 1x22 h ALA 7 Cb 0.17 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x22 h ALA 7 CO 0.00 1.03 -0.14 0.97 0.00 0.00 0.00 179.25 181.11 1x22 h ILE 8 N 0.04 0.68 0.28 0.00 2.10 0.16 -1.49 117.51 119.29 1x22 h ILE 8 Ca -0.35 -0.58 -0.01 0.00 1.08 0.00 0.00 64.86 64.99 1x22 h ILE 8 Cb 2.05 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 39.14 1x22 h ILE 8 CO 0.15 0.14 -0.14 0.50 -1.08 0.00 0.00 178.15 177.72 1x22 h LYS 9 N 0.00 -0.36 -0.90 2.19 3.11 -1.07 -1.88 116.57 117.66 1x22 h LYS 9 Ca -0.00 0.02 0.24 0.00 -2.81 0.00 0.00 60.65 58.10 1x22 h LYS 9 Cb 0.35 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.61 1x22 h LYS 9 CO 0.02 -0.12 0.63 -0.22 -2.81 0.00 0.00 179.45 176.94 1x22 h LYS 10 N -1.04 0.14 -0.14 1.90 1.63 -1.40 0.26 116.57 117.92 1x22 h LYS 10 Ca -0.04 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.70 1x22 h LYS 10 Cb 0.41 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1x22 h LYS 10 CO 0.06 0.09 -0.10 0.00 -3.45 0.00 0.00 179.45 176.06 1x22 h ALA 11 N 1.58 0.21 -0.16 5.00 0.00 -1.24 -2.33 119.26 122.31 1x22 h ALA 11 Ca 0.45 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1x22 h ALA 11 Cb 1.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1x22 h ALA 11 CO -0.07 0.04 0.44 0.78 0.00 0.00 0.00 179.25 180.43 1x22 h GLY 12 N -0.03 0.00 0.16 0.00 0.00 0.36 0.12 103.07 103.68 1x22 h GLY 12 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1x22 h GLY 12 CO 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 1x22 h ALA 13 N 1.28 -0.02 -0.66 3.60 0.00 -0.99 -2.86 119.26 119.60 1x22 h ALA 13 Ca 0.07 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1x22 h ALA 13 Cb 0.94 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1x22 h ALA 13 CO -0.00 -0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.49 1x22 h ALA 14 N 0.07 0.90 -0.58 0.00 0.00 -0.59 -1.23 119.26 117.82 1x22 h ALA 14 Ca -0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1x22 h ALA 14 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1x22 h ALA 14 CO 0.00 -0.05 0.33 0.82 0.00 0.00 0.00 179.25 180.35 1x22 h ILE 15 N 0.59 1.00 -0.95 0.00 2.04 -1.36 -1.79 117.51 117.04 1x22 h ILE 15 Ca 0.32 -0.22 0.20 0.00 1.00 0.00 0.00 64.86 66.16 1x22 h ILE 15 Cb 0.30 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 1x22 h ILE 15 CO -0.24 0.11 0.53 1.23 0.00 0.00 0.00 178.15 179.78 1x22 h GLY 16 N 0.63 1.67 1.07 5.37 0.00 -0.98 0.12 103.07 110.95 1x22 h GLY 16 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1x22 h GLY 16 CO -0.14 -0.13 0.19 0.50 0.00 0.00 0.00 176.54 176.96 1x22 h LYS 17 N 0.63 1.15 -0.76 4.80 1.57 -1.07 -2.84 116.57 120.05 1x22 h LYS 17 Ca 0.56 -0.27 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1x22 h LYS 17 Cb 0.93 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1x22 h LYS 17 CO -0.42 1.00 0.45 0.78 -0.57 0.00 0.00 179.45 180.69 1x22 h GLY 18 N 1.10 1.13 1.00 3.86 0.00 -0.50 -2.09 103.07 107.56 1x22 h GLY 18 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1x22 h GLY 18 CO -0.00 0.22 0.36 1.41 0.00 0.00 0.00 176.54 178.53 1x22 h LEU 19 N 0.84 0.77 -0.81 3.11 3.38 -1.21 -2.34 115.31 119.05 1x22 h LEU 19 Ca 0.33 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1x22 h LEU 19 Cb 0.16 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 1x22 h LEU 19 CO -0.17 0.63 0.40 -0.09 0.09 0.00 0.00 178.44 179.30 1x22 h ARG 20 N 0.85 0.57 0.42 1.13 2.43 -1.18 -0.66 114.38 117.95 1x22 h ARG 20 Ca 0.22 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1x22 h ARG 20 Cb 0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1x22 h ARG 20 CO -0.04 0.38 -0.20 0.00 -1.51 0.00 0.00 179.97 178.60 1x22 h ALA 21 N 1.54 -0.57 -0.45 2.80 0.00 -1.11 -1.58 119.26 119.89 1x22 h ALA 21 Ca 0.44 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.35 1x22 h ALA 21 Cb 0.60 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1x22 h ALA 21 CO -0.35 -0.81 0.43 0.82 0.00 0.00 0.00 179.25 179.33 1x22 h ILE 22 N -0.58 0.45 0.62 0.00 1.08 -0.96 -1.47 117.51 116.64 1x22 h ILE 22 Ca -0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1x22 h ILE 22 Cb 0.44 0.67 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1x22 h ILE 22 CO 0.10 0.00 -0.30 0.78 -0.69 0.00 0.00 178.15 178.04 1x22 h ASN 23 N 0.00 -0.70 -0.12 1.72 2.35 -0.18 -0.59 115.58 118.05 1x22 h ASN 23 Ca 0.21 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1x22 h ASN 23 Cb 1.06 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 1x22 h ASN 23 CO -0.00 -0.32 0.24 0.16 -1.65 0.00 0.00 177.43 175.85 1x22 h ILE 24 N -1.20 0.22 0.17 2.81 3.07 -0.78 0.32 117.51 122.11 1x22 h ILE 24 Ca -0.08 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.07 1x22 h ILE 24 Cb 0.64 0.79 0.03 0.00 -0.27 0.00 0.00 36.82 38.01 1x22 h ILE 24 CO 0.14 0.00 -1.08 0.00 -1.05 0.00 0.00 178.15 176.15 1x22 h ALA 25 N 1.64 -0.10 0.00 0.16 0.00 -1.15 -2.86 119.26 116.95 1x22 h ALA 25 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x22 h ALA 25 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x22 h ALA 25 CO -0.00 0.52 0.00 0.45 0.00 0.00 0.00 179.25 180.22 1x22 n SER 26 N -3.95 0.00 -0.09 0.00 2.88 -0.02 -3.39 113.62 109.06 1x22 n SER 26 Ca -0.15 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 1x22 n SER 26 Cb 0.93 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1x22 n SER 26 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x22 n THR 27 N -1.28 1.47 -0.17 2.46 -1.04 -0.50 -3.98 114.28 111.23 1x22 n THR 27 Ca 0.09 0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 62.17 1x22 n THR 27 Cb 0.16 -2.25 -0.04 0.00 -1.82 0.00 0.00 70.33 66.38 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 -3.60 -0.26 -0.24 2.41 0.00 -1.09 0.11 120.51 117.84 1x22 n ALA 28 Ca -0.18 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1x22 n ALA 28 Cb 0.44 0.12 0.13 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.10 -0.98 0.00 2.07 -1.79 0.50 115.15 114.84 1x22 h HIS 29 Ca 0.07 0.05 0.20 0.00 -2.85 0.00 0.00 60.37 57.84 1x22 h HIS 29 Cb 0.17 0.16 -0.09 0.00 2.57 0.00 0.00 27.41 30.21 1x22 h HIS 29 CO -0.74 -0.24 0.62 -0.44 -3.07 0.00 0.00 177.93 174.06 1x22 h ASP 30 N 0.09 0.62 0.20 3.10 5.19 0.64 0.87 116.42 127.13 1x22 h ASP 30 Ca 0.38 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.86 1x22 h ASP 30 Cb 0.65 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1x22 h ASP 30 CO -0.65 0.22 -0.10 0.58 -3.12 0.00 0.00 179.24 176.17 1x22 h VAL 31 N 0.61 0.89 0.00 -1.35 2.07 0.13 -2.02 116.25 116.57 1x22 h VAL 31 Ca 0.55 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1x22 h VAL 31 Cb 1.06 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1x22 h VAL 31 CO -0.30 0.13 0.08 1.88 0.02 0.00 0.00 177.57 179.39 1x22 h TYR 32 N -0.58 0.00 0.16 1.57 -1.99 -0.51 0.33 116.97 115.95 1x22 h TYR 32 Ca -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1x22 h TYR 32 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1x22 h TYR 32 CO 0.02 0.00 -0.08 1.03 -0.00 0.00 0.00 178.16 179.14 1x22 h SER 33 N 0.00 -0.18 0.29 3.88 0.87 -0.20 -3.26 113.55 114.95 1x22 h SER 33 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x22 h SER 33 Cb 0.17 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1x22 h SER 33 CO 0.00 0.04 0.00 0.15 -0.53 0.00 0.00 176.83 176.49 1x22 h PHE 34 N -0.55 0.00 0.00 2.24 3.57 -1.05 -3.32 116.94 117.83 1x22 h PHE 34 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1x22 h PHE 34 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1x22 h PHE 34 CO 0.04 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.31 1x22 n PHE 35 N -2.57 0.00 0.00 0.41 3.01 0.07 -4.07 117.46 114.31 1x22 n PHE 35 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1x22 n PHE 35 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 -0.46 0.00 -1.33 -1.08 4.01 -1.25 -4.02 118.16 114.02 1x22 n LYS 36 Ca 0.00 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.29 1x22 n LYS 36 Cb 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.39 1x22 n LYS 36 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1x22 n PRO 37 N 0.00 0.00 0.00 1.97 -0.01 -1.25 -2.29 135.00 133.41 1x22 n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1x22 n PRO 37 Cb 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 33.50 32.01 1x22 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1x22 n LYS 38 N 7.80 0.00 0.00 -0.52 5.02 -1.26 -4.63 118.16 124.57 1x22 n LYS 38 Ca 0.59 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1x22 n LYS 38 Cb -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 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 0.00 0.00 0.00 2.13 8.25 -0.97 -4.29 115.22 120.34 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 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -3.79 -0.41 3.00 -1.00 -4.90 118.16 111.05 1x22 n LYS 40 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1x22 n LYS 40 Cb 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 35.03 34.43 1x22 n LYS 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1x22 n LYS 41 N -0.24 0.40 0.00 1.64 2.85 -1.12 -4.98 118.16 116.71 1x22 n LYS 41 Ca 0.00 -2.67 0.00 0.00 -1.05 0.00 0.00 58.31 54.59 1x22 n LYS 41 Cb 0.00 2.27 0.00 0.00 -0.65 0.00 0.00 35.03 36.65 1x22 n LYS 41 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52