#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d36 h LYS 2 N 0.00 0.00 0.00 3.17 1.57 -2.02 -2.88 116.57 116.41 3d36 h LYS 2 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d36 h LYS 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d36 h LYS 2 CO 0.00 0.05 -0.72 0.72 -0.57 0.00 0.00 179.45 178.93 3d36 n HIS 3 N -3.25 0.00 -1.86 -1.35 8.25 -1.26 -4.90 115.22 110.85 3d36 n HIS 3 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3d36 n HIS 3 Cb 0.24 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3d36 n HIS 3 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d36 s LEU 4 N -3.01 4.35 0.79 2.41 1.43 -1.09 -4.99 118.68 118.57 3d36 s LEU 4 Ca 0.10 2.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 3d36 s LEU 4 Cb 0.17 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.81 3d36 s LEU 4 CO 0.77 -0.82 1.15 -0.94 0.23 0.00 0.00 176.35 176.74 3d36 s SER 5 N 0.08 3.98 0.25 2.29 1.04 -1.26 -4.78 113.70 115.30 3d36 s SER 5 Ca 0.56 2.14 -0.03 0.00 0.48 0.00 0.00 55.95 59.10 3d36 s SER 5 Cb -0.45 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.56 3d36 s SER 5 CO 0.54 -2.40 1.77 0.44 0.98 0.00 0.00 173.24 174.57 3d36 h ASP 6 N -0.93 0.50 0.01 7.02 3.32 -1.98 0.22 116.42 124.58 3d36 h ASP 6 Ca -0.45 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3d36 h ASP 6 Cb 1.27 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3d36 h ASP 6 CO 0.48 0.24 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.13 3d36 h GLU 7 N 0.62 -0.06 -0.16 3.56 4.81 -2.00 -1.94 114.58 119.41 3d36 h GLU 7 Ca 0.42 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.51 3d36 h GLU 7 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3d36 h GLU 7 CO -0.33 -0.04 -0.49 1.25 -0.73 0.00 0.00 179.01 178.67 3d36 h LEU 8 N -0.06 0.46 -0.14 1.64 5.85 -1.83 -2.03 115.31 119.19 3d36 h LEU 8 Ca 0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3d36 h LEU 8 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3d36 h LEU 8 CO -0.02 0.88 0.09 0.25 -0.34 0.00 0.00 178.44 179.30 3d36 h LEU 9 N 0.34 0.17 -0.48 2.25 5.85 -0.80 0.87 115.31 123.51 3d36 h LEU 9 Ca 0.02 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3d36 h LEU 9 Cb 0.99 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3d36 h LEU 9 CO 0.09 0.15 0.02 0.40 -0.34 0.00 0.00 178.44 178.75 3d36 h ILE 10 N 0.18 1.26 -0.69 4.05 1.08 -1.34 -1.70 117.51 120.34 3d36 h ILE 10 Ca 0.05 -1.03 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 3d36 h ILE 10 Cb 0.00 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 3d36 h ILE 10 CO -0.01 0.36 0.41 -0.08 -0.69 0.00 0.00 178.15 178.13 3d36 h GLU 11 N 0.68 0.74 -0.73 2.37 4.81 -1.24 -2.33 114.58 118.89 3d36 h GLU 11 Ca 0.14 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3d36 h GLU 11 Cb 0.48 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3d36 h GLU 11 CO 0.02 0.49 0.22 0.77 -0.73 0.00 0.00 179.01 179.78 3d36 h SER 12 N 0.76 1.07 0.00 1.04 0.02 -0.61 -2.15 113.55 113.69 3d36 h SER 12 Ca 0.30 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3d36 h SER 12 Cb 0.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3d36 h SER 12 CO -0.16 1.00 -0.09 0.22 -1.14 0.00 0.00 176.83 176.66 3d36 h TYR 13 N 1.08 -0.23 -0.19 3.45 3.20 -0.83 0.90 116.97 124.36 3d36 h TYR 13 Ca 0.23 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 3d36 h TYR 13 Cb 0.32 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3d36 h TYR 13 CO 0.03 -0.14 -0.42 0.74 -1.64 0.00 0.00 178.16 176.72 3d36 h PHE 14 N -0.16 0.54 -0.34 -3.82 -1.00 -1.39 -2.39 116.94 108.37 3d36 h PHE 14 Ca 0.03 -0.16 -0.11 0.00 2.81 0.00 0.00 57.97 60.55 3d36 h PHE 14 Cb 0.20 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 3d36 h PHE 14 CO -0.15 0.80 -0.22 0.87 -1.61 0.00 0.00 178.31 178.00 3d36 h LYS 15 N 0.37 0.66 -0.74 1.51 1.57 -1.21 -2.20 116.57 116.54 3d36 h LYS 15 Ca 0.03 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 3d36 h LYS 15 Cb 0.90 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3d36 h LYS 15 CO 0.08 0.83 0.26 0.00 -0.57 0.00 0.00 179.45 180.05 3d36 h ALA 16 N 1.17 0.97 -0.56 3.86 0.00 -0.63 -2.60 119.26 121.47 3d36 h ALA 16 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3d36 h ALA 16 Cb 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3d36 h ALA 16 CO 0.05 0.63 0.06 0.87 0.00 0.00 0.00 179.25 180.87 3d36 h LYS 17 N 1.09 0.95 -0.90 0.00 1.57 -1.29 -0.60 116.57 117.39 3d36 h LYS 17 Ca 0.24 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3d36 h LYS 17 Cb 0.27 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3d36 h LYS 17 CO -0.01 0.92 0.54 0.93 -0.57 0.00 0.00 179.45 181.26 3d36 h GLU 18 N 0.84 1.23 -0.00 3.15 5.08 -1.30 -2.14 114.58 121.44 3d36 h GLU 18 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3d36 h GLU 18 Cb 0.45 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3d36 h GLU 18 CO 0.02 0.87 -0.02 1.28 -1.00 0.00 0.00 179.01 180.15 3d36 n LEU 19 N -4.38 0.15 -3.75 1.33 4.77 -0.99 -4.93 117.00 109.19 3d36 n LEU 19 Ca 0.10 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 3d36 n LEU 19 Cb 0.06 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3d36 n LEU 19 CO 0.38 0.03 -0.05 0.59 -1.33 0.00 0.00 177.39 177.01 3d36 n ASN 20 N -1.07 -1.68 -4.51 -1.43 3.02 -0.81 -4.98 115.26 103.81 3d36 n ASN 20 Ca 0.18 -0.82 -0.28 0.00 -0.03 0.00 0.00 54.58 53.62 3d36 n ASN 20 Cb 0.21 -3.97 0.22 0.00 -0.61 0.00 0.00 39.78 35.63 3d36 n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d36 s LEU 21 N -6.79 0.99 0.20 3.41 1.43 -0.27 -4.89 118.68 112.76 3d36 s LEU 21 Ca 0.11 1.28 -0.32 0.00 -1.03 0.00 0.00 54.13 54.16 3d36 s LEU 21 Cb -0.05 -3.25 -0.15 0.00 0.03 0.00 0.00 46.19 42.77 3d36 s LEU 21 CO 0.82 -3.84 1.29 -0.24 0.23 0.00 0.00 176.35 174.60 3d36 n SER 22 N -4.66 2.03 -0.02 2.29 2.88 -1.26 -4.79 113.62 110.09 3d36 n SER 22 Ca 0.04 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 3d36 n SER 22 Cb 0.56 -1.32 0.64 0.00 -0.75 0.00 0.00 64.21 63.35 3d36 n SER 22 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3d36 h PRO 23 N 3.84 0.10 -0.32 -1.46 0.11 -1.99 -0.64 132.00 131.63 3d36 h PRO 23 Ca -0.44 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3d36 h PRO 23 Cb 1.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3d36 h PRO 23 CO 0.73 0.06 -0.33 0.93 -0.21 0.00 0.00 178.00 179.18 3d36 h GLU 24 N 0.10 0.70 -0.28 1.05 3.07 -1.99 -0.57 114.58 116.65 3d36 h GLU 24 Ca 0.26 -0.33 -0.11 0.00 -0.50 0.00 0.00 59.36 58.68 3d36 h GLU 24 Cb 0.89 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 3d36 h GLU 24 CO -0.03 0.94 -0.23 0.35 -1.40 0.00 0.00 179.01 178.63 3d36 h PHE 25 N 0.59 0.78 -0.94 4.33 3.57 -1.57 -2.26 116.94 121.45 3d36 h PHE 25 Ca 0.06 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 3d36 h PHE 25 Cb 0.85 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 3d36 h PHE 25 CO 0.04 0.94 0.58 0.82 -2.23 0.00 0.00 178.31 178.46 3d36 h ILE 26 N 0.40 1.25 -0.81 1.41 2.04 -1.10 -2.16 117.51 118.55 3d36 h ILE 26 Ca 0.05 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3d36 h ILE 26 Cb 0.79 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3d36 h ILE 26 CO 0.06 0.26 0.33 -0.08 0.00 0.00 0.00 178.15 178.72 3d36 h GLU 27 N 1.29 1.20 -0.64 2.37 4.57 -1.07 -0.86 114.58 121.44 3d36 h GLU 27 Ca 0.34 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3d36 h GLU 27 Cb -0.07 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.28 3d36 h GLU 27 CO -0.07 0.97 0.40 -0.07 -1.18 0.00 0.00 179.01 179.06 3d36 h LEU 28 N 1.17 0.67 -0.14 1.64 3.38 -0.98 0.31 115.31 121.36 3d36 h LEU 28 Ca 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3d36 h LEU 28 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3d36 h LEU 28 CO -0.02 0.47 0.05 0.40 0.09 0.00 0.00 178.44 179.43 3d36 h ILE 29 N 0.80 1.16 -0.79 1.22 2.04 -1.18 -2.14 117.51 118.63 3d36 h ILE 29 Ca 0.25 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.69 3d36 h ILE 29 Cb -0.02 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3d36 h ILE 29 CO -0.09 0.15 0.47 -0.33 0.00 0.00 0.00 178.15 178.35 3d36 h GLU 30 N 0.07 0.81 -0.53 2.37 5.08 -0.88 0.21 114.58 121.71 3d36 h GLU 30 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3d36 h GLU 30 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3d36 h GLU 30 CO -0.00 0.54 0.11 0.87 -1.00 0.00 0.00 179.01 179.53 3d36 h LYS 31 N 0.84 0.81 -0.45 2.33 1.57 -0.85 0.11 116.57 120.92 3d36 h LYS 31 Ca 0.35 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3d36 h LYS 31 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3d36 h LYS 31 CO -0.19 0.74 -0.24 1.49 -0.57 0.00 0.00 179.45 180.68 3d36 h GLU 32 N 0.78 0.95 -0.56 3.15 4.57 -0.66 -0.23 114.58 122.60 3d36 h GLU 32 Ca 0.17 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 3d36 h GLU 32 Cb 0.31 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3d36 h GLU 32 CO 0.00 1.08 0.27 0.82 -1.18 0.00 0.00 179.01 180.00 3d36 h ILE 33 N 0.82 1.20 -0.66 2.32 2.04 -0.61 -1.90 117.51 120.72 3d36 h ILE 33 Ca 0.10 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 3d36 h ILE 33 Cb 0.81 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3d36 h ILE 33 CO 0.07 0.23 0.10 1.56 0.00 0.00 0.00 178.15 180.10 3d36 h GLN 34 N 0.75 1.10 -0.83 2.37 4.20 -0.66 -0.39 115.11 121.64 3d36 h GLN 34 Ca 0.19 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3d36 h GLN 34 Cb 0.11 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3d36 h GLN 34 CO -0.02 1.01 0.48 -0.09 -0.67 0.00 0.00 178.83 179.53 3d36 h ARG 35 N 1.02 1.14 -0.06 1.46 2.43 -0.78 -1.75 114.38 117.85 3d36 h ARG 35 Ca 0.20 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3d36 h ARG 35 Cb 0.45 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3d36 h ARG 35 CO 0.01 0.82 0.00 0.54 -1.51 0.00 0.00 179.97 179.83 3d36 n ARG 36 N -4.36 1.27 -3.63 0.20 1.74 -0.74 -4.92 116.66 106.23 3d36 n ARG 36 Ca 0.09 -0.40 -0.23 0.00 -0.77 0.00 0.00 57.85 56.54 3d36 n ARG 36 Cb 0.08 -1.32 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 3d36 n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3d36 n SER 37 N -0.37 -4.79 -0.10 0.55 7.64 -0.66 -4.93 113.62 110.96 3d36 n SER 37 Ca 0.14 -0.62 0.10 0.00 1.01 0.00 0.00 58.87 59.50 3d36 n SER 37 Cb 0.16 -4.77 0.14 0.00 -1.01 0.00 0.00 64.21 58.73 3d36 n SER 37 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d36 n LEU 38 N -4.72 2.33 0.30 -3.43 4.77 -0.19 -4.76 117.00 111.30 3d36 n LEU 38 Ca -0.07 -3.09 0.17 0.00 -0.03 0.00 0.00 56.01 52.99 3d36 n LEU 38 Cb 0.59 -0.43 0.92 0.00 -2.33 0.00 0.00 43.42 42.17 3d36 n LEU 38 CO 0.66 0.73 1.07 0.74 -1.33 0.00 0.00 177.39 179.26 3d36 h THR 39 N 0.14 0.29 0.00 -5.08 2.02 -1.90 -1.44 112.91 106.95 3d36 h THR 39 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3d36 h THR 39 Cb 1.01 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3d36 h THR 39 CO 0.00 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.93 3d36 n HIS 40 N -3.41 0.39 0.10 3.16 1.44 -1.26 -1.45 115.22 114.18 3d36 n HIS 40 Ca -0.02 0.18 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 3d36 n HIS 40 Cb 0.17 -0.78 0.00 0.00 0.12 0.00 0.00 29.99 29.50 3d36 n HIS 40 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3d36 h LYS 41 N 0.00 0.00 0.00 -1.40 1.79 -1.65 -3.57 116.57 111.74 3d36 h LYS 41 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3d36 h LYS 41 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3d36 h LYS 41 CO 0.00 0.26 0.00 -0.89 -1.08 0.00 0.00 179.45 177.74