#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 -2.16 -3.06 -0.14 2.13 0.20 -4.74 120.64 112.86 1mr4 n GLU 2 Ca 0.00 0.41 -0.39 0.00 0.66 0.00 0.00 57.16 57.83 1mr4 n GLU 2 Cb 0.00 -3.84 -0.06 0.00 0.27 0.00 0.00 31.44 27.82 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mr4 s LYS 4 N -0.69 4.29 -0.17 0.00 -0.14 -1.26 -1.21 119.74 120.56 1mr4 s LYS 4 Ca 0.35 0.77 -0.14 0.00 -1.36 0.00 0.00 55.97 55.58 1mr4 s LYS 4 Cb -0.21 -3.54 0.05 0.00 -1.68 0.00 0.00 37.83 32.45 1mr4 s LYS 4 CO 0.23 -0.17 0.43 0.99 -0.76 0.00 0.00 175.35 176.07 1mr4 s THR 5 N 1.65 -0.00 0.22 2.17 2.01 -0.22 -5.00 115.64 116.46 1mr4 s THR 5 Ca 0.33 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1mr4 s THR 5 Cb -0.16 -0.61 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 1mr4 s THR 5 CO 0.13 0.01 1.43 -0.70 -0.69 0.00 0.00 174.62 174.79 1mr4 s GLU 6 N 0.46 4.28 0.22 4.92 2.12 -1.26 -1.23 118.70 128.22 1mr4 s GLU 6 Ca -0.02 2.25 -0.31 0.00 0.36 0.00 0.00 54.97 57.26 1mr4 s GLU 6 Cb -0.04 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 1mr4 s GLU 6 CO -0.02 -0.42 1.52 0.45 -0.54 0.00 0.00 175.26 176.25 1mr4 s SER 7 N 0.52 6.57 -0.01 -1.70 0.15 -0.19 -4.87 113.70 114.17 1mr4 s SER 7 Ca 0.61 2.70 -0.03 0.00 0.70 0.00 0.00 55.95 59.93 1mr4 s SER 7 Cb -0.41 -2.61 -0.27 0.00 -1.71 0.00 0.00 66.02 61.01 1mr4 s SER 7 CO 0.40 -0.79 0.78 -1.13 1.20 0.00 0.00 173.24 173.70 1mr4 h ASN 8 N 5.72 0.38 0.45 5.45 -0.73 -1.92 -3.35 115.58 121.58 1mr4 h ASN 8 Ca -0.45 -0.57 -0.18 0.00 1.87 0.00 0.00 56.30 56.97 1mr4 h ASN 8 Cb 1.21 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 1mr4 h ASN 8 CO 0.84 1.48 -0.79 0.71 -0.37 0.00 0.00 177.43 179.30 1mr4 h THR 9 N 0.07 1.44 -3.43 -3.57 1.35 -1.91 -3.45 112.91 103.41 1mr4 h THR 9 Ca -0.27 -2.36 -0.52 0.00 -0.55 0.00 0.00 66.41 62.70 1mr4 h THR 9 Cb 2.02 2.29 0.05 0.00 -1.73 0.00 0.00 68.15 70.78 1mr4 h THR 9 CO 0.15 0.70 0.72 0.12 -0.25 0.00 0.00 175.52 176.96 1mr4 s PHE 10 N -3.42 3.08 0.00 4.73 5.36 -1.26 -4.87 117.98 121.61 1mr4 s PHE 10 Ca -0.04 1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 1mr4 s PHE 10 Cb 0.10 -3.75 -0.12 0.00 -0.34 0.00 0.00 43.02 38.91 1mr4 s PHE 10 CO 0.83 -2.39 1.90 -0.35 -1.46 0.00 0.00 175.22 173.74 1mr4 n PRO 11 N 2.27 0.90 0.00 10.12 -0.04 -1.26 -4.88 135.00 142.11 1mr4 n PRO 11 Ca 0.06 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1mr4 n PRO 11 Cb 0.41 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.72 2.32 3.55 0.55 0.00 -1.26 -4.90 105.19 108.17 1mr4 n GLY 12 Ca 0.19 -0.43 -0.55 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -2.23 -0.61 -0.00 -1.25 -3.64 119.36 111.63 1mr4 n ILE 13 Ca 0.00 -0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.33 1mr4 n ILE 13 Cb 0.00 -0.48 -0.03 0.00 -0.00 0.00 0.00 39.64 39.14 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mr4 n ILE 15 N 4.78 1.53 -3.91 0.00 2.08 -1.26 -4.89 119.36 117.69 1mr4 n ILE 15 Ca 0.13 -0.33 -0.09 0.00 0.56 0.00 0.00 62.75 63.02 1mr4 n ILE 15 Cb 0.44 -1.93 -0.07 0.00 -0.75 0.00 0.00 39.64 37.34 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1mr4 s THR 16 N -2.54 0.07 -0.00 1.39 -4.23 -1.26 -5.08 115.64 103.98 1mr4 s THR 16 Ca -0.38 -1.27 -0.24 0.00 -1.18 0.00 0.00 61.69 58.62 1mr4 s THR 16 Cb 0.14 -1.73 -0.19 0.00 1.34 0.00 0.00 72.50 72.06 1mr4 s THR 16 CO 0.49 -0.32 1.29 0.50 -0.54 0.00 0.00 174.62 176.03 1mr4 h LYS 17 N 2.52 0.10 -0.58 3.99 3.11 -1.98 -3.18 116.57 120.56 1mr4 h LYS 17 Ca -0.32 -0.05 0.10 0.00 -2.81 0.00 0.00 60.65 57.57 1mr4 h LYS 17 Cb 1.23 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 32.35 1mr4 h LYS 17 CO 0.48 0.56 -0.36 -1.35 -2.81 0.00 0.00 179.45 175.97 1mr4 h PRO 18 N -0.35 -0.18 -0.67 1.90 0.11 -1.98 0.27 132.00 131.10 1mr4 h PRO 18 Ca 0.01 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1mr4 h PRO 18 Cb 0.54 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1mr4 h PRO 18 CO 0.01 -0.12 0.23 -1.35 -0.21 0.00 0.00 178.00 176.56 1mr4 h PRO 19 N -0.19 1.01 -0.64 1.05 0.11 -2.00 -1.86 132.00 129.48 1mr4 h PRO 19 Ca 0.22 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1mr4 h PRO 19 Cb 0.56 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1mr4 h PRO 19 CO -0.68 0.85 0.35 0.00 -0.21 0.00 0.00 178.00 178.32 1mr4 h ARG 21 N 0.87 0.57 -0.47 0.00 1.12 -0.04 -2.08 114.38 114.34 1mr4 h ARG 21 Ca 0.23 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.99 1mr4 h ARG 21 Cb 0.03 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 1mr4 h ARG 21 CO -0.04 0.38 0.04 -0.22 -3.11 0.00 0.00 179.97 177.02 1mr4 h LYS 22 N 0.59 0.80 -0.25 0.20 1.63 -0.76 -2.49 116.57 116.29 1mr4 h LYS 22 Ca 0.23 -0.24 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1mr4 h LYS 22 Cb 0.08 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1mr4 h LYS 22 CO -0.13 0.84 0.12 0.00 -3.45 0.00 0.00 179.45 176.83 1mr4 h ALA 23 N 0.94 0.30 -0.88 5.00 0.00 -0.51 -0.12 119.26 123.99 1mr4 h ALA 23 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mr4 h ALA 23 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1mr4 h ALA 23 CO 0.02 -0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.52 1mr4 h ILE 25 N 1.21 1.32 -0.43 0.00 2.04 -0.99 -2.91 117.51 117.75 1mr4 h ILE 25 Ca 0.32 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 1mr4 h ILE 25 Cb -0.07 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1mr4 h ILE 25 CO -0.06 0.50 -0.12 0.28 0.00 0.00 0.00 178.15 178.75 1mr4 h SER 26 N 0.35 0.77 -4.08 1.72 0.02 -0.41 -3.44 113.55 108.47 1mr4 h SER 26 Ca 0.02 -0.23 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1mr4 h SER 26 Cb 0.93 -0.21 0.06 0.00 0.14 0.00 0.00 62.40 63.33 1mr4 h SER 26 CO 0.08 0.91 0.11 -0.62 -1.14 0.00 0.00 176.83 176.17 1mr4 n GLU 27 N -4.16 -0.06 -1.84 3.45 1.02 -0.65 -4.96 120.64 113.45 1mr4 n GLU 27 Ca 0.01 -1.40 -0.41 0.00 -0.02 0.00 0.00 57.16 55.34 1mr4 n GLU 27 Cb 0.37 -0.48 -0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mr4 n LYS 28 N -2.18 3.56 0.00 3.49 3.00 -1.26 -4.80 118.16 119.97 1mr4 n LYS 28 Ca 0.09 -2.90 0.00 0.00 -0.00 0.00 0.00 58.31 55.50 1mr4 n LYS 28 Cb 0.32 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.39 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1mr4 n PHE 29 N 4.16 0.00 0.00 5.64 3.01 -1.17 -4.55 117.46 124.56 1mr4 n PHE 29 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.03 1mr4 n PHE 29 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 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 -4.48 4.37 5.66 -0.12 -4.46 114.28 115.25 1mr4 n THR 30 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1mr4 n THR 30 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.17 2.73 -0.10 1.09 2.15 -1.05 -4.73 116.67 115.60 1mr4 s ASP 31 Ca 0.00 -1.34 -0.30 0.00 0.43 0.00 0.00 52.55 51.35 1mr4 s ASP 31 Cb 0.00 -0.16 0.12 0.00 -0.30 0.00 0.00 42.92 42.57 1mr4 s ASP 31 CO 0.00 -0.52 0.95 -0.83 -0.17 0.00 0.00 175.17 174.60 1mr4 s GLY 32 N -3.52 -0.36 0.15 2.66 0.00 -1.26 -0.09 107.32 104.89 1mr4 s GLY 32 Ca 0.35 1.58 -0.24 0.00 0.00 0.00 0.00 44.72 46.41 1mr4 s GLY 32 CO 0.15 0.73 1.04 -2.38 0.00 0.00 0.00 173.10 172.64 1mr4 s HIS 33 N -1.96 -0.02 0.00 1.90 -3.43 -0.59 -4.66 115.29 106.54 1mr4 s HIS 33 Ca 0.01 -0.31 -0.23 0.00 -0.80 0.00 0.00 55.06 53.73 1mr4 s HIS 33 Cb -0.01 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1mr4 s HIS 33 CO -0.02 -0.81 0.69 0.00 -2.00 0.00 0.00 174.74 172.59 1mr4 s SER 35 N 0.08 6.89 -0.08 0.00 0.15 -1.03 -4.85 113.70 114.86 1mr4 s SER 35 Ca 0.35 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1mr4 s SER 35 Cb -0.19 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.56 1mr4 s SER 35 CO 0.20 -0.43 1.65 2.29 1.20 0.00 0.00 173.24 178.15 1mr4 n LYS 36 N 0.79 1.21 0.00 5.44 2.85 -1.26 -3.35 118.16 123.84 1mr4 n LYS 36 Ca 0.00 -0.44 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1mr4 n LYS 36 Cb 0.44 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.64 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1mr4 n ILE 37 N 0.81 0.00 -5.28 0.58 5.41 -1.26 -5.10 119.36 114.52 1mr4 n ILE 37 Ca 0.09 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.52 1mr4 n ILE 37 Cb 0.58 -0.21 -0.16 0.00 -0.71 0.00 0.00 39.64 39.14 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 -4.51 2.07 -1.39 1.39 1.43 -1.21 -5.04 118.68 111.41 1mr4 s LEU 38 Ca 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1mr4 s LEU 38 Cb 0.00 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.95 1mr4 s LEU 38 CO 0.00 0.27 2.15 -1.14 0.23 0.00 0.00 176.35 177.86 1mr4 n ARG 39 N 2.77 3.38 -4.05 1.70 0.63 -1.26 -3.03 116.66 116.80 1mr4 n ARG 39 Ca -0.17 -3.03 -0.08 0.00 -0.92 0.00 0.00 57.85 53.65 1mr4 n ARG 39 Cb 0.52 -3.04 -0.09 0.00 0.45 0.00 0.00 32.46 30.29 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 1.58 0.74 -0.53 -0.14 3.00 -1.26 -0.71 118.95 121.63 1mr4 s ARG 40 Ca 0.46 -1.21 -0.27 0.00 0.00 0.00 0.00 55.73 54.70 1mr4 s ARG 40 Cb 0.13 0.25 -0.01 0.00 0.00 0.00 0.00 34.95 35.32 1mr4 s ARG 40 CO -0.05 -0.18 1.67 0.00 0.00 0.00 0.00 175.30 176.74 1mr4 s LEU 42 N 7.44 4.72 0.23 0.00 2.96 0.39 -1.03 118.68 133.39 1mr4 s LEU 42 Ca 0.64 -1.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.31 1mr4 s LEU 42 Cb -0.14 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 1mr4 s LEU 42 CO 0.25 -1.32 0.61 0.00 -1.32 0.00 0.00 176.35 174.57 1mr4 s THR 44 N -1.75 3.07 0.03 0.00 -4.23 0.86 -1.05 115.64 112.56 1mr4 s THR 44 Ca 0.46 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1mr4 s THR 44 Cb -0.12 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1mr4 s THR 44 CO 0.20 0.50 0.02 -1.59 -0.54 0.00 0.00 174.62 173.20 1mr4 s LYS 45 N 0.77 2.78 -1.00 3.99 -2.85 -0.35 -0.95 119.74 122.13 1mr4 s LYS 45 Ca -0.04 -0.65 -0.08 0.00 -1.00 0.00 0.00 55.97 54.20 1mr4 s LYS 45 Cb -0.15 -2.67 -0.06 0.00 -2.06 0.00 0.00 37.83 32.88 1mr4 s LYS 45 CO 0.01 0.60 2.19 -2.30 0.10 0.00 0.00 175.35 175.96 1mr4 n PRO 46 N 1.10 2.23 0.00 1.78 -0.02 -1.26 0.63 135.00 139.46 1mr4 n PRO 46 Ca -0.13 -1.61 0.12 0.00 -2.02 0.00 0.00 63.50 59.86 1mr4 n PRO 46 Cb 0.52 -2.56 0.72 0.00 -0.02 0.00 0.00 33.50 32.16 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48