#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 1.80 0.00 1.61 5.02 -1.26 -4.74 118.16 120.59 1x22 n LYS 2 Ca 0.00 -4.23 0.00 0.00 -2.02 0.00 0.00 58.31 52.06 1x22 n LYS 2 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1x22 n LYS 2 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1x22 n ILE 3 N 1.45 0.00 -1.89 -0.18 0.13 -1.26 -5.08 119.36 112.53 1x22 n ILE 3 Ca 0.26 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.68 1x22 n ILE 3 Cb 0.42 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 39.15 1x22 n ILE 3 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1x22 s PRO 4 N 0.00 2.13 0.07 9.51 0.02 -1.26 -4.71 135.00 140.75 1x22 s PRO 4 Ca 0.00 -0.41 -0.14 0.00 0.02 0.00 0.00 61.00 60.47 1x22 s PRO 4 Cb 0.00 -5.05 -0.24 0.00 0.02 0.00 0.00 34.50 29.23 1x22 s PRO 4 CO 0.00 -4.11 1.17 -0.24 -0.33 0.00 0.00 177.00 173.49 1x22 h VAL 5 N 6.95 1.28 0.00 3.83 3.04 -1.98 -2.28 116.25 127.09 1x22 h VAL 5 Ca 0.10 -2.32 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 1x22 h VAL 5 Cb 0.98 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.73 1x22 h VAL 5 CO 1.14 0.71 0.00 0.11 -1.01 0.00 0.00 177.57 178.53 1x22 h LYS 6 N 0.36 0.00 0.00 4.17 1.57 -1.99 0.17 116.57 120.85 1x22 h LYS 6 Ca -0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1x22 h LYS 6 Cb 1.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1x22 h LYS 6 CO 0.21 0.00 -0.32 0.00 -0.57 0.00 0.00 179.45 178.77 1x22 h ALA 7 N 2.06 0.05 0.00 3.86 0.00 -1.90 -3.01 119.26 120.33 1x22 h ALA 7 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x22 h ALA 7 Cb 0.21 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x22 h ALA 7 CO 0.00 0.22 -0.01 0.97 0.00 0.00 0.00 179.25 180.43 1x22 h ILE 8 N -1.00 0.28 0.22 0.00 2.10 -1.12 -2.27 117.51 115.73 1x22 h ILE 8 Ca -0.06 -0.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.81 1x22 h ILE 8 Cb 0.61 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1x22 h ILE 8 CO -0.04 0.01 -0.11 0.50 -1.08 0.00 0.00 178.15 177.44 1x22 h LYS 9 N 0.00 -0.29 -0.90 2.19 1.63 -0.76 -0.18 116.57 118.26 1x22 h LYS 9 Ca -0.00 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.99 1x22 h LYS 9 Cb 0.04 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.64 1x22 h LYS 9 CO 0.00 0.09 0.48 1.57 -3.45 0.00 0.00 179.45 178.14 1x22 h LYS 10 N -0.81 0.62 -0.32 1.90 2.10 -1.27 0.43 116.57 119.23 1x22 h LYS 10 Ca -0.03 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.48 1x22 h LYS 10 Cb 0.51 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1x22 h LYS 10 CO 0.05 0.41 -0.24 0.00 -2.00 0.00 0.00 179.45 177.68 1x22 h ALA 11 N 1.60 0.99 0.00 0.07 0.00 -1.45 -1.58 119.26 118.89 1x22 h ALA 11 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x22 h ALA 11 Cb 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x22 h ALA 11 CO -0.39 0.60 0.00 0.78 0.00 0.00 0.00 179.25 180.24 1x22 h GLY 12 N 1.00 0.00 0.27 0.00 0.00 0.17 -1.43 103.07 103.08 1x22 h GLY 12 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1x22 h GLY 12 CO 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 176.07 1x22 h ALA 13 N 2.04 0.02 0.80 3.60 0.00 -0.33 -2.46 119.26 122.93 1x22 h ALA 13 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1x22 h ALA 13 Cb 0.10 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1x22 h ALA 13 CO 0.00 0.28 -0.39 0.00 0.00 0.00 0.00 179.25 179.14 1x22 h ALA 14 N -0.03 -1.08 -1.00 0.00 0.00 -1.21 -1.98 119.26 113.96 1x22 h ALA 14 Ca -0.11 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1x22 h ALA 14 Cb 1.31 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 1x22 h ALA 14 CO 0.03 -1.09 0.63 0.82 0.00 0.00 0.00 179.25 179.64 1x22 h ILE 15 N -1.11 0.95 -0.98 0.00 2.04 -1.46 -0.04 117.51 116.91 1x22 h ILE 15 Ca -0.11 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.52 1x22 h ILE 15 Cb 0.83 -0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1x22 h ILE 15 CO 0.18 0.18 0.62 1.23 0.00 0.00 0.00 178.15 180.37 1x22 h GLY 16 N 1.01 1.54 1.03 5.37 0.00 -1.12 -0.27 103.07 110.63 1x22 h GLY 16 Ca 0.48 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1x22 h GLY 16 CO -0.24 0.17 0.45 1.70 0.00 0.00 0.00 176.54 178.61 1x22 h LYS 17 N 0.96 1.20 -0.05 4.80 3.11 -0.24 -2.82 116.57 123.52 1x22 h LYS 17 Ca 0.48 -0.15 0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1x22 h LYS 17 Cb 0.48 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 1x22 h LYS 17 CO -0.24 0.89 -0.15 0.78 -2.81 0.00 0.00 179.45 177.93 1x22 h GLY 18 N 1.19 -0.14 0.29 5.01 0.00 -0.83 -1.69 103.07 106.90 1x22 h GLY 18 Ca 0.30 0.18 0.16 0.00 0.00 0.00 0.00 47.33 47.96 1x22 h GLY 18 CO -0.04 -0.15 0.62 1.41 0.00 0.00 0.00 176.54 178.38 1x22 h LEU 19 N -0.22 0.84 -0.02 3.11 3.38 -1.27 -1.09 115.31 120.04 1x22 h LEU 19 Ca 0.07 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1x22 h LEU 19 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1x22 h LEU 19 CO -0.18 0.37 -0.10 0.03 0.09 0.00 0.00 178.44 178.65 1x22 h ARG 20 N 0.86 -0.16 -0.79 1.13 -0.00 -1.09 -1.41 114.38 112.92 1x22 h ARG 20 Ca 0.54 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 60.09 1x22 h ARG 20 Cb 0.73 0.04 -0.06 0.00 0.00 0.00 0.00 29.97 30.67 1x22 h ARG 20 CO -0.32 -0.11 0.47 0.00 0.00 0.00 0.00 179.97 180.02 1x22 h ALA 21 N 0.82 1.08 -0.44 0.04 0.00 -0.69 -1.09 119.26 118.98 1x22 h ALA 21 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x22 h ALA 21 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x22 h ALA 21 CO -0.11 0.19 0.23 0.82 0.00 0.00 0.00 179.25 180.38 1x22 h ILE 22 N 0.86 1.14 0.78 0.00 1.08 -0.83 -1.36 117.51 119.20 1x22 h ILE 22 Ca 0.35 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1x22 h ILE 22 Cb 0.19 0.56 0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1x22 h ILE 22 CO -0.18 0.16 -0.38 -1.13 -0.69 0.00 0.00 178.15 175.93 1x22 h ASN 23 N 0.61 -0.89 -0.28 1.72 -1.24 -0.13 0.19 115.58 115.56 1x22 h ASN 23 Ca 0.16 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.27 1x22 h ASN 23 Cb 0.03 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1x22 h ASN 23 CO -0.02 -0.54 0.25 0.16 -1.29 0.00 0.00 177.43 175.98 1x22 h ILE 24 N -1.24 0.63 0.08 2.57 3.07 -1.31 0.60 117.51 121.91 1x22 h ILE 24 Ca -0.11 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 66.05 1x22 h ILE 24 Cb 0.82 0.82 0.01 0.00 -0.27 0.00 0.00 36.82 38.19 1x22 h ILE 24 CO 0.18 0.00 -1.13 0.00 -1.05 0.00 0.00 178.15 176.15 1x22 h ALA 25 N 1.77 0.19 0.00 0.16 0.00 -0.99 -2.56 119.26 117.84 1x22 h ALA 25 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1x22 h ALA 25 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x22 h ALA 25 CO -0.00 0.88 0.00 -1.13 0.00 0.00 0.00 179.25 179.00 1x22 n SER 26 N -3.64 0.62 -0.02 0.00 3.41 0.63 -2.67 113.62 111.96 1x22 n SER 26 Ca -0.08 0.66 -0.21 0.00 -0.26 0.00 0.00 58.87 58.98 1x22 n SER 26 Cb 0.95 -0.79 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1x22 n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x22 n THR 27 N -2.19 1.73 -0.02 6.66 -2.24 -0.77 -4.14 114.28 113.31 1x22 n THR 27 Ca 0.02 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1x22 n THR 27 Cb 0.21 -1.76 -0.06 0.00 -2.10 0.00 0.00 70.33 66.62 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 -0.02 -0.68 -1.07 6.98 0.00 -1.23 0.15 119.26 123.40 1x22 h ALA 28 Ca -0.43 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 54.77 1x22 h ALA 28 Cb 1.93 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 20.44 1x22 h ALA 28 CO 0.03 -0.80 0.65 1.12 0.00 0.00 0.00 179.25 180.25 1x22 h HIS 29 N -0.32 0.81 -0.10 0.00 2.07 -1.78 1.38 115.15 117.21 1x22 h HIS 29 Ca 0.02 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.50 1x22 h HIS 29 Cb 0.39 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 1x22 h HIS 29 CO -0.55 -0.10 -0.28 0.22 -3.07 0.00 0.00 177.93 174.15 1x22 h ASP 30 N 0.33 0.18 0.00 3.10 3.58 -1.20 -2.54 116.42 119.86 1x22 h ASP 30 Ca 0.71 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.11 1x22 h ASP 30 Cb 1.75 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.75 1x22 h ASP 30 CO -0.49 0.46 0.00 0.52 -2.88 0.00 0.00 179.24 176.86 1x22 n VAL 31 N -4.15 0.00 -0.63 2.25 0.31 0.47 -2.51 118.33 114.07 1x22 n VAL 31 Ca -0.01 0.82 0.49 0.00 -0.01 0.00 0.00 64.34 65.63 1x22 n VAL 31 Cb 0.37 -1.65 0.76 0.00 -0.91 0.00 0.00 33.84 32.41 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 -1.50 0.17 0.19 3.52 4.01 -0.85 -0.04 117.16 122.66 1x22 n TYR 32 Ca 0.00 0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1x22 n TYR 32 Cb 0.00 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 38.35 1x22 n TYR 32 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1x22 h SER 33 N 0.00 -0.44 -0.44 7.72 0.87 -1.44 -3.00 113.55 116.83 1x22 h SER 33 Ca 0.90 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 61.31 1x22 h SER 33 Cb 3.45 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 65.42 1x22 h SER 33 CO -0.12 -0.30 0.21 0.49 -0.53 0.00 0.00 176.83 176.58 1x22 n PHE 34 N -3.37 1.41 -0.04 2.24 3.72 0.82 -3.98 117.46 118.26 1x22 n PHE 34 Ca -0.06 -0.89 -0.16 0.00 -0.05 0.00 0.00 57.45 56.29 1x22 n PHE 34 Cb 0.20 -0.50 -0.14 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.10 0.83 -0.33 1.38 7.35 0.95 -4.36 117.46 123.18 1x22 n PHE 35 Ca 0.25 0.22 0.03 0.00 -0.76 0.00 0.00 57.45 57.19 1x22 n PHE 35 Cb 0.98 -1.12 0.10 0.00 0.35 0.00 0.00 39.48 39.78 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 -3.24 -0.12 -0.83 -4.13 4.01 -1.25 0.21 118.16 112.82 1x22 n LYS 36 Ca -0.30 1.38 -0.08 0.00 -0.51 0.00 0.00 58.31 58.80 1x22 n LYS 36 Cb 1.05 -2.06 -0.12 0.00 -0.51 0.00 0.00 35.03 33.40 1x22 n LYS 36 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1x22 n PRO 37 N -5.40 1.66 0.00 1.97 -0.04 -1.26 -4.13 135.00 127.79 1x22 n PRO 37 Ca 0.13 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1x22 n PRO 37 Cb 0.42 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1x22 n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x22 n LYS 38 N 2.23 0.00 0.00 0.54 3.00 0.13 -5.07 118.16 118.99 1x22 n LYS 38 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1x22 n LYS 38 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.80 1x22 n LYS 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x22 n HIS 39 N -1.56 0.00 -2.21 5.64 8.25 0.11 -4.73 115.22 120.72 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 0.36 0.64 0.00 0.00 176.34 177.34 1x22 n LYS 40 N 0.00 -2.68 -0.36 -0.41 2.85 -1.26 -4.95 118.16 111.36 1x22 n LYS 40 Ca 0.00 0.00 0.30 0.00 -1.05 0.00 0.00 58.31 57.56 1x22 n LYS 40 Cb 0.00 0.00 0.50 0.00 -0.65 0.00 0.00 35.03 34.88 1x22 n LYS 40 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1x22 n LYS 41 N -0.35 -0.02 0.00 -1.58 2.85 -1.26 -5.18 118.16 112.61 1x22 n LYS 41 Ca 0.00 0.90 0.03 0.00 -1.05 0.00 0.00 58.31 58.20 1x22 n LYS 41 Cb 0.00 -1.80 0.20 0.00 -0.65 0.00 0.00 35.03 32.78 1x22 n LYS 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98