#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr4 n GLU 2 N 0.00 -5.52 -2.96 2.89 4.71 0.18 -4.65 120.64 115.29 1mr4 n GLU 2 Ca 0.00 0.72 -0.40 0.00 -0.01 0.00 0.00 57.16 57.47 1mr4 n GLU 2 Cb 0.00 -5.34 -0.06 0.00 -1.01 0.00 0.00 31.44 25.03 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mr4 s LYS 4 N -0.70 4.38 -0.17 0.00 2.47 -1.26 -0.99 119.74 123.47 1mr4 s LYS 4 Ca 0.37 0.72 -0.13 0.00 -1.56 0.00 0.00 55.97 55.38 1mr4 s LYS 4 Cb -0.22 -3.42 0.05 0.00 -1.46 0.00 0.00 37.83 32.78 1mr4 s LYS 4 CO 0.25 0.17 0.44 0.99 0.16 0.00 0.00 175.35 177.36 1mr4 s THR 5 N 0.50 -0.01 0.21 3.43 2.01 -0.57 -5.00 115.64 116.21 1mr4 s THR 5 Ca 0.33 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1mr4 s THR 5 Cb -0.17 -0.63 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 1mr4 s THR 5 CO 0.16 0.02 1.42 -1.83 -0.69 0.00 0.00 174.62 173.69 1mr4 s GLU 6 N 0.79 4.29 -0.82 4.92 1.03 -1.26 -1.48 118.70 126.17 1mr4 s GLU 6 Ca -0.04 2.23 -0.26 0.00 0.03 0.00 0.00 54.97 56.93 1mr4 s GLU 6 Cb -0.05 -3.15 0.04 0.00 -0.80 0.00 0.00 34.13 30.17 1mr4 s GLU 6 CO -0.06 -0.41 1.32 0.45 -1.33 0.00 0.00 175.26 175.23 1mr4 s SER 7 N 0.53 6.27 0.33 0.83 0.15 -0.73 -4.83 113.70 116.25 1mr4 s SER 7 Ca 0.61 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1mr4 s SER 7 Cb -0.40 -2.56 0.57 0.00 -1.71 0.00 0.00 66.02 61.92 1mr4 s SER 7 CO 0.39 -1.72 1.79 0.78 1.20 0.00 0.00 173.24 175.68 1mr4 h ASN 8 N 9.94 0.28 0.54 5.45 4.21 -1.91 -2.51 115.58 131.57 1mr4 h ASN 8 Ca -0.13 -0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.24 1mr4 h ASN 8 Cb 1.04 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 1mr4 h ASN 8 CO 1.32 0.55 -0.25 0.74 -1.29 0.00 0.00 177.43 178.50 1mr4 h THR 9 N 0.25 0.82 -3.71 2.81 2.02 -1.96 -3.44 112.91 109.70 1mr4 h THR 9 Ca 0.04 -1.01 -0.52 0.00 0.77 0.00 0.00 66.41 65.69 1mr4 h THR 9 Cb 0.62 1.61 0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1mr4 h THR 9 CO 0.04 0.25 0.61 0.12 0.37 0.00 0.00 175.52 176.92 1mr4 s PHE 10 N -4.01 3.21 -0.13 3.16 5.36 -0.95 -4.87 117.98 119.75 1mr4 s PHE 10 Ca -0.02 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.33 1mr4 s PHE 10 Cb 0.13 -3.59 -0.08 0.00 -0.34 0.00 0.00 43.02 39.14 1mr4 s PHE 10 CO 0.65 -1.64 1.57 -0.35 -1.46 0.00 0.00 175.22 174.00 1mr4 n PRO 11 N 1.44 0.81 0.00 10.12 -0.04 -1.26 -4.87 135.00 141.19 1mr4 n PRO 11 Ca 0.02 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1mr4 n PRO 11 Cb 0.43 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mr4 n GLY 12 N 3.08 1.51 3.62 0.55 0.00 -1.26 -4.88 105.19 107.80 1mr4 n GLY 12 Ca 0.17 -0.54 -0.48 0.00 0.00 0.00 0.00 46.02 45.17 1mr4 n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mr4 n ILE 13 N 0.00 0.49 -2.14 -0.61 -0.00 -1.26 -4.32 119.36 111.53 1mr4 n ILE 13 Ca 0.00 -0.12 -0.42 0.00 -0.00 0.00 0.00 62.75 62.21 1mr4 n ILE 13 Cb 0.00 -1.09 -0.03 0.00 -0.00 0.00 0.00 39.64 38.52 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mr4 h ILE 15 N 4.01 0.77 -2.71 0.00 1.08 -1.91 -3.47 117.51 115.29 1mr4 h ILE 15 Ca -0.43 -1.99 -0.04 0.00 -0.39 0.00 0.00 64.86 62.01 1mr4 h ILE 15 Cb 1.21 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.83 1mr4 h ILE 15 CO 0.84 0.26 0.14 0.35 -0.69 0.00 0.00 178.15 179.05 1mr4 n THR 16 N -4.47 0.00 0.02 -0.27 -2.24 -1.26 -5.09 114.28 100.97 1mr4 n THR 16 Ca -0.28 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 60.70 1mr4 n THR 16 Cb 0.61 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 1mr4 n THR 16 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mr4 h LYS 17 N 0.00 -0.13 -0.33 -0.78 3.11 -1.97 -3.18 116.57 113.29 1mr4 h LYS 17 Ca -0.21 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1mr4 h LYS 17 Cb 0.77 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.95 1mr4 h LYS 17 CO 0.26 0.39 -0.21 -1.35 -2.81 0.00 0.00 179.45 175.73 1mr4 h PRO 18 N -0.83 -0.17 -0.73 1.90 0.11 -1.98 0.14 132.00 130.44 1mr4 h PRO 18 Ca -0.01 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1mr4 h PRO 18 Cb 0.58 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 1mr4 h PRO 18 CO 0.02 -0.11 0.27 -1.35 -0.21 0.00 0.00 178.00 176.62 1mr4 h PRO 19 N -0.17 1.10 -0.33 1.05 0.11 -1.99 0.43 132.00 132.18 1mr4 h PRO 19 Ca 0.17 -0.20 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 19 Cb 0.43 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1mr4 h PRO 19 CO -0.43 0.90 0.18 0.00 -0.21 0.00 0.00 178.00 178.44 1mr4 h ARG 21 N 0.41 1.18 -0.50 0.00 1.12 -0.30 -2.13 114.38 114.16 1mr4 h ARG 21 Ca 0.12 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1mr4 h ARG 21 Cb 0.06 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 1mr4 h ARG 21 CO -0.02 0.78 0.23 -0.22 -3.11 0.00 0.00 179.97 177.64 1mr4 h LYS 22 N 1.22 0.72 -0.85 0.20 1.63 -0.20 -1.80 116.57 117.49 1mr4 h LYS 22 Ca 0.39 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1mr4 h LYS 22 Cb 0.02 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 1mr4 h LYS 22 CO -0.13 0.60 0.46 0.00 -3.45 0.00 0.00 179.45 176.94 1mr4 h ALA 23 N 1.08 1.09 -0.48 5.00 0.00 -0.60 -1.83 119.26 123.53 1mr4 h ALA 23 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mr4 h ALA 23 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1mr4 h ALA 23 CO -0.02 0.60 0.14 0.00 0.00 0.00 0.00 179.25 179.98 1mr4 h ILE 25 N 0.69 1.28 0.00 0.00 2.04 -0.63 -2.73 117.51 118.15 1mr4 h ILE 25 Ca 0.16 -1.20 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1mr4 h ILE 25 Cb 0.22 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1mr4 h ILE 25 CO -0.01 0.40 -0.35 0.28 0.00 0.00 0.00 178.15 178.47 1mr4 h SER 26 N 0.55 0.00 0.00 1.72 0.02 -0.99 -3.43 113.55 111.43 1mr4 h SER 26 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1mr4 h SER 26 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1mr4 h SER 26 CO 0.04 0.35 0.00 -0.62 -1.14 0.00 0.00 176.83 175.46 1mr4 n GLU 27 N -3.95 2.26 -2.95 3.45 -0.58 -0.27 -5.00 120.64 113.61 1mr4 n GLU 27 Ca -0.02 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 1mr4 n GLU 27 Cb 0.41 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.25 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mr4 n LYS 28 N 0.00 2.31 0.00 3.49 4.01 -1.24 -5.01 118.16 121.71 1mr4 n LYS 28 Ca 0.00 -4.18 0.00 0.00 -0.51 0.00 0.00 58.31 53.62 1mr4 n LYS 28 Cb 0.00 -1.97 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mr4 n PHE 29 N -0.08 0.00 0.00 2.13 3.01 -1.08 -4.63 117.46 116.80 1mr4 n PHE 29 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1mr4 n PHE 29 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1mr4 n PHE 29 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mr4 n THR 30 N 0.00 0.00 -4.30 4.37 5.66 -0.71 -4.50 114.28 114.81 1mr4 n THR 30 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1mr4 n THR 30 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1mr4 s ASP 31 N -0.97 1.34 -0.04 1.09 2.15 -1.12 -4.63 116.67 114.49 1mr4 s ASP 31 Ca 0.00 -1.59 -0.30 0.00 0.43 0.00 0.00 52.55 51.09 1mr4 s ASP 31 Cb 0.00 0.44 0.11 0.00 -0.30 0.00 0.00 42.92 43.17 1mr4 s ASP 31 CO 0.00 -0.93 0.97 -0.83 -0.17 0.00 0.00 175.17 174.21 1mr4 s GLY 32 N -3.34 -0.41 0.14 2.66 0.00 -1.26 -0.35 107.32 104.76 1mr4 s GLY 32 Ca 0.37 1.09 -0.25 0.00 0.00 0.00 0.00 44.72 45.93 1mr4 s GLY 32 CO 0.19 0.36 0.81 -2.38 0.00 0.00 0.00 173.10 172.08 1mr4 s HIS 33 N -2.96 -0.29 0.21 1.90 -3.43 0.02 -4.21 115.29 106.54 1mr4 s HIS 33 Ca 0.06 0.02 -0.17 0.00 -0.80 0.00 0.00 55.06 54.17 1mr4 s HIS 33 Cb -0.01 0.61 -0.08 0.00 -1.43 0.00 0.00 32.58 31.67 1mr4 s HIS 33 CO -0.07 -0.85 0.66 0.00 -2.00 0.00 0.00 174.74 172.48 1mr4 s SER 35 N -1.79 5.97 0.00 0.00 0.15 -1.06 -4.90 113.70 112.08 1mr4 s SER 35 Ca 0.43 2.32 0.00 0.00 0.70 0.00 0.00 55.95 59.40 1mr4 s SER 35 Cb -0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1mr4 s SER 35 CO 0.20 -1.05 0.54 0.29 1.20 0.00 0.00 173.24 174.42 1mr4 n LYS 36 N -0.74 0.96 0.00 5.44 5.02 -1.26 -3.79 118.16 123.80 1mr4 n LYS 36 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1mr4 n LYS 36 Cb 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1mr4 n LYS 36 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1mr4 n ILE 37 N 0.08 0.00 -3.53 -0.18 -0.00 -1.26 -5.09 119.36 109.39 1mr4 n ILE 37 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.38 1mr4 n ILE 37 Cb 0.27 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.64 39.72 1mr4 n ILE 37 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1mr4 s LEU 38 N -4.39 4.21 -1.43 7.28 1.43 -1.25 -4.98 118.68 119.55 1mr4 s LEU 38 Ca 0.00 0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1mr4 s LEU 38 Cb 0.00 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.91 1mr4 s LEU 38 CO 0.00 0.07 2.46 -1.14 0.23 0.00 0.00 176.35 177.97 1mr4 n ARG 39 N 3.82 3.90 -4.21 1.70 0.63 -1.26 -2.60 116.66 118.64 1mr4 n ARG 39 Ca -0.12 -2.95 -0.12 0.00 -0.92 0.00 0.00 57.85 53.74 1mr4 n ARG 39 Cb 0.52 -2.83 -0.10 0.00 0.45 0.00 0.00 32.46 30.50 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1mr4 s ARG 40 N 0.77 0.93 -0.33 -0.14 3.00 -1.26 -0.98 118.95 120.94 1mr4 s ARG 40 Ca 0.56 -1.38 -0.27 0.00 0.00 0.00 0.00 55.73 54.64 1mr4 s ARG 40 Cb 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 34.95 34.72 1mr4 s ARG 40 CO -0.07 0.03 0.95 0.00 0.00 0.00 0.00 175.30 176.22 1mr4 s LEU 42 N 3.41 4.90 0.25 0.00 1.02 0.21 -1.77 118.68 126.70 1mr4 s LEU 42 Ca 0.40 -1.13 -0.11 0.00 0.02 0.00 0.00 54.13 53.31 1mr4 s LEU 42 Cb -0.13 -2.03 -0.08 0.00 0.02 0.00 0.00 46.19 43.97 1mr4 s LEU 42 CO 0.15 -0.44 0.60 0.00 0.02 0.00 0.00 176.35 176.68 1mr4 s THR 44 N -1.83 2.21 -0.13 0.00 -4.23 0.53 -1.52 115.64 110.67 1mr4 s THR 44 Ca 0.48 -1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 1mr4 s THR 44 Cb -0.11 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1mr4 s THR 44 CO 0.20 0.36 0.16 -1.59 -0.54 0.00 0.00 174.62 173.21 1mr4 s LYS 45 N 1.25 3.65 -1.14 3.99 -2.85 -0.17 -1.74 119.74 122.73 1mr4 s LYS 45 Ca 0.01 -0.10 -0.12 0.00 -1.00 0.00 0.00 55.97 54.75 1mr4 s LYS 45 Cb -0.15 -3.24 -0.07 0.00 -2.06 0.00 0.00 37.83 32.30 1mr4 s LYS 45 CO -0.10 0.66 2.27 -0.35 0.10 0.00 0.00 175.35 177.94 1mr4 n PRO 46 N 2.32 2.44 0.00 1.78 -0.04 -1.26 0.52 135.00 140.76 1mr4 n PRO 46 Ca -0.19 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1mr4 n PRO 46 Cb 0.54 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46