#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 -4.18 -3.01 2.89 4.71 0.20 -4.66 120.64 116.60 1mr4 n GLU 2 Ca 0.00 0.58 -0.40 0.00 -0.01 0.00 0.00 57.16 57.32 1mr4 n GLU 2 Cb 0.00 -4.74 -0.05 0.00 -1.01 0.00 0.00 31.44 25.64 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 1.31 4.32 -0.15 0.00 2.36 -1.26 -0.71 119.74 125.60 1mr4 s LYS 4 Ca 0.37 0.86 -0.09 0.00 -2.55 0.00 0.00 55.97 54.56 1mr4 s LYS 4 Cb -0.17 -3.53 0.05 0.00 -1.05 0.00 0.00 37.83 33.13 1mr4 s LYS 4 CO 0.16 -0.18 0.37 0.99 1.55 0.00 0.00 175.35 178.24 1mr4 s THR 5 N 1.65 -0.03 0.25 3.43 2.01 0.59 -4.99 115.64 118.55 1mr4 s THR 5 Ca 0.35 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1mr4 s THR 5 Cb -0.17 -0.55 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1mr4 s THR 5 CO 0.14 0.04 1.50 -1.61 -0.69 0.00 0.00 174.62 173.99 1mr4 s GLU 6 N 1.28 4.22 -0.36 4.92 0.41 -1.26 -1.32 118.70 126.58 1mr4 s GLU 6 Ca -0.09 2.38 -0.29 0.00 -0.41 0.00 0.00 54.97 56.57 1mr4 s GLU 6 Cb -0.08 -3.09 -0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1mr4 s GLU 6 CO -0.11 -0.50 1.51 0.45 -0.49 0.00 0.00 175.26 176.12 1mr4 s SER 7 N 0.51 6.27 0.05 -0.19 0.15 0.19 -4.85 113.70 115.85 1mr4 s SER 7 Ca 0.62 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 58.28 1mr4 s SER 7 Cb -0.44 -2.54 -0.28 0.00 -1.71 0.00 0.00 66.02 61.06 1mr4 s SER 7 CO 0.43 -1.44 1.06 -1.13 1.20 0.00 0.00 173.24 173.35 1mr4 h ASN 8 N 11.05 0.40 0.57 5.45 -0.73 -1.91 -3.25 115.58 127.17 1mr4 h ASN 8 Ca -0.29 -0.46 -0.02 0.00 1.87 0.00 0.00 56.30 57.40 1mr4 h ASN 8 Cb 1.12 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.58 1mr4 h ASN 8 CO 1.06 1.37 -0.07 0.74 -0.37 0.00 0.00 177.43 180.16 1mr4 h THR 9 N 0.07 0.28 -3.02 -3.57 2.02 -1.96 -3.44 112.91 103.29 1mr4 h THR 9 Ca -0.16 -0.50 -0.53 0.00 0.77 0.00 0.00 66.41 65.99 1mr4 h THR 9 Cb 1.98 1.39 0.06 0.00 -1.74 0.00 0.00 68.15 69.84 1mr4 h THR 9 CO 0.19 0.07 0.88 0.12 0.37 0.00 0.00 175.52 177.15 1mr4 s PHE 10 N -3.95 2.96 0.31 3.16 5.36 -1.23 -4.88 117.98 119.72 1mr4 s PHE 10 Ca -0.02 0.69 0.16 0.00 -0.96 0.00 0.00 56.93 56.81 1mr4 s PHE 10 Cb 0.11 -3.97 1.10 0.00 -0.34 0.00 0.00 43.02 39.92 1mr4 s PHE 10 CO 0.55 -3.46 1.37 -2.30 -1.46 0.00 0.00 175.22 169.92 1mr4 n PRO 11 N 3.24 -0.05 0.00 10.12 -0.02 -1.26 -4.88 135.00 142.14 1mr4 n PRO 11 Ca 0.11 1.22 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 1mr4 n PRO 11 Cb 0.38 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1mr4 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mr4 n GLY 12 N -1.26 -0.54 3.71 -1.23 0.00 -1.26 -5.11 105.19 99.51 1mr4 n GLY 12 Ca 0.31 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 0.10 -2.03 -0.61 5.41 -1.26 -4.77 119.36 116.19 1mr4 n ILE 13 Ca 0.00 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 1mr4 n ILE 13 Cb 0.00 -2.04 -0.03 0.00 -0.71 0.00 0.00 39.64 36.86 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 5.67 1.59 -4.04 0.00 2.08 -1.26 -4.69 119.36 118.71 1mr4 n ILE 15 Ca 0.18 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 63.05 1mr4 n ILE 15 Cb 0.43 -1.85 -0.08 0.00 -0.75 0.00 0.00 39.64 37.39 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 -2.46 0.06 0.00 1.39 -4.23 -1.26 -5.08 115.64 104.05 1mr4 s THR 16 Ca -0.30 -1.59 -0.23 0.00 -1.18 0.00 0.00 61.69 58.39 1mr4 s THR 16 Cb 0.08 -2.02 -0.18 0.00 1.34 0.00 0.00 72.50 71.72 1mr4 s THR 16 CO 0.61 -0.25 1.27 0.50 -0.54 0.00 0.00 174.62 176.21 1mr4 h LYS 17 N 2.59 0.18 -0.67 3.99 3.11 -1.97 -3.29 116.57 120.51 1mr4 h LYS 17 Ca -0.32 -0.10 0.12 0.00 -2.81 0.00 0.00 60.65 57.54 1mr4 h LYS 17 Cb 1.23 0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.34 1mr4 h LYS 17 CO 0.50 0.65 -0.28 -1.35 -2.81 0.00 0.00 179.45 176.15 1mr4 h PRO 18 N -0.28 -0.09 -0.88 1.90 0.11 -1.98 0.15 132.00 130.93 1mr4 h PRO 18 Ca 0.01 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1mr4 h PRO 18 Cb 0.63 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1mr4 h PRO 18 CO 0.02 -0.06 0.54 -1.35 -0.21 0.00 0.00 178.00 176.94 1mr4 h PRO 19 N -0.09 1.18 -0.59 1.05 0.11 -2.01 -2.61 132.00 129.03 1mr4 h PRO 19 Ca 0.28 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1mr4 h PRO 19 Cb 0.55 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1mr4 h PRO 19 CO -0.73 0.82 0.22 0.00 -0.21 0.00 0.00 178.00 178.09 1mr4 h ARG 21 N 0.83 -0.57 0.00 0.00 1.12 -0.37 -2.10 114.38 113.28 1mr4 h ARG 21 Ca 0.20 0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.06 1mr4 h ARG 21 Cb 0.24 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1mr4 h ARG 21 CO -0.01 -0.38 -0.22 1.57 -3.11 0.00 0.00 179.97 177.82 1mr4 h LYS 22 N -0.59 0.00 -0.47 0.20 2.10 -1.52 -2.53 116.57 113.75 1mr4 h LYS 22 Ca 0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1mr4 h LYS 22 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1mr4 h LYS 22 CO -0.16 0.22 0.22 0.00 -2.00 0.00 0.00 179.45 177.73 1mr4 h ALA 23 N 1.78 0.61 -0.62 0.07 0.00 -0.85 0.45 119.26 120.70 1mr4 h ALA 23 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1mr4 h ALA 23 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1mr4 h ALA 23 CO 0.03 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.48 1mr4 h ILE 25 N 0.99 1.25 -0.18 0.00 2.04 -1.12 -2.68 117.51 117.81 1mr4 h ILE 25 Ca 0.18 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1mr4 h ILE 25 Cb 0.55 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1mr4 h ILE 25 CO 0.03 0.33 -0.09 0.28 0.00 0.00 0.00 178.15 178.70 1mr4 h SER 26 N 0.56 0.27 0.00 1.72 0.02 -0.83 -3.43 113.55 111.86 1mr4 h SER 26 Ca 0.12 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1mr4 h SER 26 Cb 0.44 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1mr4 h SER 26 CO 0.02 0.39 0.00 -0.62 -1.14 0.00 0.00 176.83 175.48 1mr4 n GLU 27 N -4.29 1.05 -2.97 3.45 -0.58 -0.90 -4.98 120.64 111.42 1mr4 n GLU 27 Ca -0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1mr4 n GLU 27 Cb 0.25 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.08 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 3.02 0.00 3.49 4.01 -1.24 -5.00 118.16 122.44 1mr4 n LYS 28 Ca 0.00 -4.72 0.00 0.00 -0.51 0.00 0.00 58.31 53.08 1mr4 n LYS 28 Cb 0.00 -2.19 0.00 0.00 -0.51 0.00 0.00 35.03 32.33 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 -0.19 0.00 0.00 2.13 3.01 -1.03 -4.63 117.46 116.74 1mr4 n PHE 29 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1mr4 n PHE 29 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 -4.35 4.37 5.66 -0.50 -4.49 114.28 114.97 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 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 1.52 -0.06 1.09 2.15 -0.97 -4.62 116.67 114.83 1mr4 s ASP 31 Ca 0.00 -1.38 -0.29 0.00 0.43 0.00 0.00 52.55 51.31 1mr4 s ASP 31 Cb 0.00 0.09 0.11 0.00 -0.30 0.00 0.00 42.92 42.82 1mr4 s ASP 31 CO 0.00 -0.69 0.90 -0.83 -0.17 0.00 0.00 175.17 174.38 1mr4 s GLY 32 N -3.36 -0.41 0.01 2.66 0.00 -1.26 -0.21 107.32 104.75 1mr4 s GLY 32 Ca 0.37 1.41 -0.27 0.00 0.00 0.00 0.00 44.72 46.23 1mr4 s GLY 32 CO 0.14 0.65 0.62 -2.38 0.00 0.00 0.00 173.10 172.12 1mr4 s HIS 33 N -2.21 -0.57 0.03 1.90 -3.43 0.37 -4.50 115.29 106.88 1mr4 s HIS 33 Ca 0.01 0.81 -0.23 0.00 -0.80 0.00 0.00 55.06 54.86 1mr4 s HIS 33 Cb -0.01 0.41 -0.06 0.00 -1.43 0.00 0.00 32.58 31.50 1mr4 s HIS 33 CO -0.03 -0.65 0.67 0.00 -2.00 0.00 0.00 174.74 172.73 1mr4 s SER 35 N -0.23 6.76 0.00 0.00 0.15 -0.96 -4.87 113.70 114.54 1mr4 s SER 35 Ca 0.34 2.19 -0.04 0.00 0.70 0.00 0.00 55.95 59.14 1mr4 s SER 35 Cb -0.19 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.40 1mr4 s SER 35 CO 0.20 -0.81 2.83 2.29 1.20 0.00 0.00 173.24 178.95 1mr4 n LYS 36 N 5.95 1.51 0.00 5.44 2.85 -1.26 -2.84 118.16 129.82 1mr4 n LYS 36 Ca 0.15 -0.61 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 1mr4 n LYS 36 Cb 0.43 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 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 2.22 0.00 0.00 0.58 2.08 -1.26 -5.12 119.36 117.86 1mr4 n ILE 37 Ca 0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.57 1mr4 n ILE 37 Cb 0.71 -0.17 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 1mr4 n ILE 37 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1mr4 n LEU 38 N -1.93 0.00 -2.95 1.39 4.77 -1.13 -5.11 117.00 112.05 1mr4 n LEU 38 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1mr4 n LEU 38 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1mr4 n LEU 38 CO 0.00 0.00 0.02 0.54 -1.33 0.00 0.00 177.39 176.62 1mr4 n ARG 39 N 0.00 0.86 -4.20 3.23 1.74 -1.26 -4.76 116.66 112.26 1mr4 n ARG 39 Ca 0.00 -2.49 -0.19 0.00 -0.77 0.00 0.00 57.85 54.39 1mr4 n ARG 39 Cb 0.00 -1.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 1mr4 n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1mr4 s ARG 40 N -0.51 0.90 -0.52 5.56 1.81 -1.26 -0.63 118.95 124.29 1mr4 s ARG 40 Ca 0.32 -1.03 -0.23 0.00 -1.72 0.00 0.00 55.73 53.07 1mr4 s ARG 40 Cb 0.25 -0.94 0.04 0.00 -0.45 0.00 0.00 34.95 33.85 1mr4 s ARG 40 CO -0.13 0.21 0.88 0.00 -0.68 0.00 0.00 175.30 175.58 1mr4 s LEU 42 N 3.69 5.28 0.32 0.00 1.02 0.14 -0.63 118.68 128.49 1mr4 s LEU 42 Ca 0.29 -1.31 -0.09 0.00 0.02 0.00 0.00 54.13 53.04 1mr4 s LEU 42 Cb -0.13 -2.34 -0.07 0.00 0.02 0.00 0.00 46.19 43.68 1mr4 s LEU 42 CO 0.19 -1.07 0.64 0.00 0.02 0.00 0.00 176.35 176.14 1mr4 s THR 44 N -2.10 1.12 -0.07 0.00 -4.23 0.71 -0.30 115.64 110.77 1mr4 s THR 44 Ca 0.48 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1mr4 s THR 44 Cb -0.11 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1mr4 s THR 44 CO 0.27 0.38 0.12 -1.59 -0.54 0.00 0.00 174.62 173.26 1mr4 s LYS 45 N 1.52 3.32 -1.32 3.99 -2.85 0.11 -1.41 119.74 123.11 1mr4 s LYS 45 Ca 0.02 -0.26 -0.12 0.00 -1.00 0.00 0.00 55.97 54.61 1mr4 s LYS 45 Cb -0.13 -3.07 -0.05 0.00 -2.06 0.00 0.00 37.83 32.52 1mr4 s LYS 45 CO -0.07 0.73 2.44 -0.35 0.10 0.00 0.00 175.35 178.20 1mr4 n PRO 46 N 1.67 2.83 0.00 1.78 -0.04 -1.26 0.61 135.00 140.58 1mr4 n PRO 46 Ca -0.17 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1mr4 n PRO 46 Cb 0.54 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46