#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 -4.94 -3.07 5.56 4.71 0.14 -4.69 120.64 118.35 1mr4 n GLU 2 Ca 0.00 0.79 -0.39 0.00 -0.01 0.00 0.00 57.16 57.55 1mr4 n GLU 2 Cb 0.00 -5.57 -0.06 0.00 -1.01 0.00 0.00 31.44 24.80 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 -1.03 4.42 -0.10 0.00 3.01 -1.25 -0.89 119.74 123.89 1mr4 s LYS 4 Ca 0.34 0.82 -0.12 0.00 -1.01 0.00 0.00 55.97 56.00 1mr4 s LYS 4 Cb -0.22 -3.45 0.03 0.00 -1.01 0.00 0.00 37.83 33.19 1mr4 s LYS 4 CO 0.24 0.08 0.32 0.99 0.51 0.00 0.00 175.35 177.48 1mr4 s THR 5 N 0.78 0.01 0.34 2.17 2.01 -0.68 -4.99 115.64 115.28 1mr4 s THR 5 Ca 0.36 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1mr4 s THR 5 Cb -0.17 -0.49 -0.11 0.00 0.01 0.00 0.00 72.50 71.74 1mr4 s THR 5 CO 0.17 -0.05 1.39 -0.70 -0.69 0.00 0.00 174.62 174.73 1mr4 s GLU 6 N -0.12 4.26 -0.24 4.92 2.12 -1.26 -2.44 118.70 125.94 1mr4 s GLU 6 Ca -0.03 2.35 -0.28 0.00 0.36 0.00 0.00 54.97 57.37 1mr4 s GLU 6 Cb -0.03 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1mr4 s GLU 6 CO 0.01 -0.34 2.15 -1.54 -0.54 0.00 0.00 175.26 175.00 1mr4 s SER 7 N -0.25 5.52 -0.13 -1.70 1.04 -0.91 -4.84 113.70 112.44 1mr4 s SER 7 Ca 0.52 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.59 1mr4 s SER 7 Cb -0.42 -2.51 -0.25 0.00 0.10 0.00 0.00 66.02 62.93 1mr4 s SER 7 CO 0.55 -1.93 0.43 -1.13 0.98 0.00 0.00 173.24 172.15 1mr4 h ASN 8 N 14.73 0.31 0.68 7.02 -0.73 -1.92 -3.37 115.58 132.30 1mr4 h ASN 8 Ca -0.40 -0.81 -0.14 0.00 1.87 0.00 0.00 56.30 56.81 1mr4 h ASN 8 Cb 1.23 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.69 1mr4 h ASN 8 CO 0.97 1.66 -0.69 0.71 -0.37 0.00 0.00 177.43 179.72 1mr4 h THR 9 N -0.34 1.49 -3.05 -3.57 1.35 -1.88 -3.42 112.91 103.49 1mr4 h THR 9 Ca -0.35 -2.35 -0.57 0.00 -0.55 0.00 0.00 66.41 62.59 1mr4 h THR 9 Cb 1.75 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 70.39 1mr4 h THR 9 CO 0.01 0.67 1.14 0.12 -0.25 0.00 0.00 175.52 177.22 1mr4 s PHE 10 N -3.45 2.19 -0.91 4.73 5.36 -1.26 -4.91 117.98 119.72 1mr4 s PHE 10 Ca -0.01 0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 56.57 1mr4 s PHE 10 Cb 0.12 -4.26 0.15 0.00 -0.34 0.00 0.00 43.02 38.69 1mr4 s PHE 10 CO 0.77 -2.31 2.42 -0.35 -1.46 0.00 0.00 175.22 174.30 1mr4 n PRO 11 N 8.23 3.70 -3.60 10.12 -0.04 -1.26 -4.92 135.00 147.23 1mr4 n PRO 11 Ca 0.18 -3.21 0.01 0.00 -0.04 0.00 0.00 63.50 60.44 1mr4 n PRO 11 Cb 0.48 -2.39 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1mr4 s GLY 12 N -0.01 -0.39 0.51 0.55 0.00 -1.26 -5.15 107.32 101.58 1mr4 s GLY 12 Ca 0.54 1.11 -0.20 0.00 0.00 0.00 0.00 44.72 46.16 1mr4 s GLY 12 CO -0.18 0.28 1.12 -0.42 0.00 0.00 0.00 173.10 173.90 1mr4 s ILE 13 N -2.26 3.29 -0.09 0.90 -1.09 -1.26 -4.83 121.20 115.86 1mr4 s ILE 13 Ca 0.13 0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 59.10 1mr4 s ILE 13 Cb 0.04 -3.36 -0.07 0.00 -1.58 0.00 0.00 42.46 37.50 1mr4 s ILE 13 CO -0.05 -0.14 1.98 0.00 -1.23 0.00 0.00 174.94 175.51 1mr4 n ILE 15 N 6.39 0.00 -4.12 0.00 -0.00 -1.26 -4.82 119.36 115.55 1mr4 n ILE 15 Ca 0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.83 1mr4 n ILE 15 Cb 0.43 -0.26 -0.13 0.00 -0.00 0.00 0.00 39.64 39.68 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1mr4 s THR 16 N -1.48 0.48 -0.02 1.39 -4.23 -1.26 -5.07 115.64 105.45 1mr4 s THR 16 Ca 0.00 -0.63 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 1mr4 s THR 16 Cb 0.00 -0.48 -0.20 0.00 1.34 0.00 0.00 72.50 73.16 1mr4 s THR 16 CO 0.00 -0.11 1.25 0.50 -0.54 0.00 0.00 174.62 175.71 1mr4 h LYS 17 N 5.31 0.04 -0.55 3.99 3.11 -1.98 -3.20 116.57 123.30 1mr4 h LYS 17 Ca -0.32 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.59 1mr4 h LYS 17 Cb 1.20 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 32.32 1mr4 h LYS 17 CO 0.46 0.55 -0.39 -1.35 -2.81 0.00 0.00 179.45 175.91 1mr4 h PRO 18 N -0.46 -0.21 -0.58 1.90 0.11 -1.97 0.35 132.00 131.13 1mr4 h PRO 18 Ca 0.00 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1mr4 h PRO 18 Cb 0.55 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1mr4 h PRO 18 CO 0.01 -0.14 0.17 -1.35 -0.21 0.00 0.00 178.00 176.47 1mr4 h PRO 19 N -0.22 0.92 -0.61 1.05 0.11 -1.99 0.65 132.00 131.91 1mr4 h PRO 19 Ca 0.19 -0.21 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1mr4 h PRO 19 Cb 0.56 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 1mr4 h PRO 19 CO -0.66 0.83 0.38 0.00 -0.21 0.00 0.00 178.00 178.34 1mr4 h ARG 21 N 0.75 0.15 -0.44 0.00 2.43 -0.05 -2.69 114.38 114.53 1mr4 h ARG 21 Ca 0.24 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1mr4 h ARG 21 Cb 0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1mr4 h ARG 21 CO -0.09 0.31 0.29 -0.22 -1.51 0.00 0.00 179.97 178.75 1mr4 h LYS 22 N -0.03 0.57 -0.47 0.20 1.63 -0.42 -0.58 116.57 117.47 1mr4 h LYS 22 Ca 0.03 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1mr4 h LYS 22 Cb 0.22 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1mr4 h LYS 22 CO -0.00 0.38 0.26 0.00 -3.45 0.00 0.00 179.45 176.63 1mr4 h ALA 23 N 1.17 0.60 -0.36 5.00 0.00 -0.82 -2.57 119.26 122.28 1mr4 h ALA 23 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1mr4 h ALA 23 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1mr4 h ALA 23 CO -0.04 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 1mr4 h ILE 25 N 0.57 1.19 -0.21 0.00 2.04 -0.77 -1.06 117.51 119.26 1mr4 h ILE 25 Ca 0.10 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1mr4 h ILE 25 Cb 0.52 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1mr4 h ILE 25 CO 0.03 0.20 -0.32 0.28 0.00 0.00 0.00 178.15 178.35 1mr4 h SER 26 N 0.91 0.44 0.00 1.72 0.02 -1.05 -3.35 113.55 112.24 1mr4 h SER 26 Ca 0.24 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1mr4 h SER 26 Cb -0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1mr4 h SER 26 CO -0.04 0.74 0.00 1.21 -1.14 0.00 0.00 176.83 177.60 1mr4 n GLU 27 N -4.08 0.00 0.00 3.45 0.00 -0.51 -4.93 120.64 114.56 1mr4 n GLU 27 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1mr4 n GLU 27 Cb 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 30.94 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1mr4 n LYS 28 N -0.88 0.00 0.00 5.31 5.02 -0.77 -5.11 118.16 121.73 1mr4 n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mr4 n LYS 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mr4 n PHE 29 N 0.00 0.00 0.00 2.13 3.01 -0.55 -4.19 117.46 117.86 1mr4 n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1mr4 n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -4.20 4.37 5.66 -0.86 -4.47 114.28 114.79 1mr4 n THR 30 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 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 -0.95 0.59 0.08 1.09 -1.08 -1.17 -4.83 116.67 110.39 1mr4 s ASP 31 Ca 0.00 -1.45 -0.27 0.00 -0.52 0.00 0.00 52.55 50.30 1mr4 s ASP 31 Cb 0.00 0.47 0.08 0.00 -1.46 0.00 0.00 42.92 42.01 1mr4 s ASP 31 CO 0.00 -0.96 1.01 -0.83 0.52 0.00 0.00 175.17 174.91 1mr4 s GLY 32 N -3.21 -0.31 0.14 2.66 0.00 -1.26 -0.91 107.32 104.42 1mr4 s GLY 32 Ca 0.37 0.48 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1mr4 s GLY 32 CO 0.17 0.12 0.67 -2.39 0.00 0.00 0.00 173.10 171.67 1mr4 n HIS 33 N -0.41 -1.20 -3.22 1.90 1.44 -0.12 -4.72 115.22 108.89 1mr4 n HIS 33 Ca -0.07 -0.90 -0.39 0.00 -2.01 0.00 0.00 57.72 54.35 1mr4 n HIS 33 Cb 0.61 0.44 -0.06 0.00 0.12 0.00 0.00 29.99 31.11 1mr4 n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mr4 s SER 35 N -0.20 6.94 0.00 0.00 0.15 -0.67 -4.82 113.70 115.10 1mr4 s SER 35 Ca 0.30 2.40 -0.00 0.00 0.70 0.00 0.00 55.95 59.36 1mr4 s SER 35 Cb -0.18 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 1mr4 s SER 35 CO 0.17 -0.47 2.01 2.29 1.20 0.00 0.00 173.24 178.43 1mr4 n LYS 36 N 2.25 1.01 0.00 5.44 -0.00 -1.26 -3.07 118.16 122.52 1mr4 n LYS 36 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1mr4 n LYS 36 Cb 0.43 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 34.42 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1mr4 n ILE 37 N 1.54 0.00 -4.05 0.58 5.41 -1.26 -5.12 119.36 116.46 1mr4 n ILE 37 Ca 0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.64 1mr4 n ILE 37 Cb 0.50 -0.10 -0.11 0.00 -0.71 0.00 0.00 39.64 39.22 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 -3.59 2.28 -1.38 1.39 1.43 -1.17 -5.06 118.68 112.57 1mr4 s LEU 38 Ca 0.00 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1mr4 s LEU 38 Cb 0.00 -0.10 0.09 0.00 0.03 0.00 0.00 46.19 46.22 1mr4 s LEU 38 CO 0.00 -0.25 2.05 -1.14 0.23 0.00 0.00 176.35 177.24 1mr4 n ARG 39 N 1.34 3.18 -4.08 1.70 0.63 -1.26 -3.48 116.66 114.69 1mr4 n ARG 39 Ca -0.22 -3.02 -0.13 0.00 -0.92 0.00 0.00 57.85 53.56 1mr4 n ARG 39 Cb 0.55 -3.15 -0.11 0.00 0.45 0.00 0.00 32.46 30.20 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 2.10 0.57 -0.33 -0.14 3.00 -1.26 -3.19 118.95 119.69 1mr4 s ARG 40 Ca 0.44 -0.83 -0.29 0.00 0.00 0.00 0.00 55.73 55.05 1mr4 s ARG 40 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 34.95 34.77 1mr4 s ARG 40 CO -0.04 0.04 1.65 0.00 0.00 0.00 0.00 175.30 176.95 1mr4 s LEU 42 N 6.12 5.11 0.25 0.00 2.96 0.32 -2.13 118.68 131.32 1mr4 s LEU 42 Ca 0.73 -1.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1mr4 s LEU 42 Cb -0.21 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1mr4 s LEU 42 CO 0.32 -0.52 0.33 0.00 -1.32 0.00 0.00 176.35 175.17 1mr4 s THR 44 N -2.04 2.46 -0.01 0.00 -4.23 -0.09 -1.68 115.64 110.05 1mr4 s THR 44 Ca 0.35 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1mr4 s THR 44 Cb -0.09 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1mr4 s THR 44 CO 0.28 0.52 -0.08 -1.59 -0.54 0.00 0.00 174.62 173.21 1mr4 s LYS 45 N 1.01 2.53 -0.81 3.99 -2.85 -0.07 -2.02 119.74 121.53 1mr4 s LYS 45 Ca -0.02 -0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 54.16 1mr4 s LYS 45 Cb -0.15 -2.48 -0.06 0.00 -2.06 0.00 0.00 37.83 33.08 1mr4 s LYS 45 CO -0.04 0.61 1.98 -2.30 0.10 0.00 0.00 175.35 175.69 1mr4 n PRO 46 N 1.69 1.80 0.00 1.78 -0.02 -1.26 0.27 135.00 139.25 1mr4 n PRO 46 Ca -0.16 -1.42 0.08 0.00 -2.02 0.00 0.00 63.50 59.98 1mr4 n PRO 46 Cb 0.53 -2.48 0.45 0.00 -0.02 0.00 0.00 33.50 31.98 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48