#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 -2.89 -3.14 5.56 2.13 0.18 -4.72 120.64 117.76 1mr4 n GLU 2 Ca 0.00 0.60 -0.39 0.00 0.66 0.00 0.00 57.16 58.03 1mr4 n GLU 2 Cb 0.00 -4.67 -0.06 0.00 0.27 0.00 0.00 31.44 26.98 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 -0.37 4.32 -0.02 0.00 2.36 -1.26 -0.97 119.74 123.80 1mr4 s LYS 4 Ca 0.33 0.93 -0.10 0.00 -2.55 0.00 0.00 55.97 54.58 1mr4 s LYS 4 Cb -0.19 -3.55 0.01 0.00 -1.05 0.00 0.00 37.83 33.05 1mr4 s LYS 4 CO 0.20 -0.22 0.21 0.99 1.55 0.00 0.00 175.35 178.07 1mr4 s THR 5 N 1.79 0.06 0.34 3.43 2.01 -0.21 -5.02 115.64 118.05 1mr4 s THR 5 Ca 0.37 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 1mr4 s THR 5 Cb -0.17 -0.47 -0.11 0.00 0.01 0.00 0.00 72.50 71.76 1mr4 s THR 5 CO 0.14 -0.27 1.51 -0.70 -0.69 0.00 0.00 174.62 174.60 1mr4 s GLU 6 N -1.09 4.14 -0.29 4.92 2.56 -1.26 -2.04 118.70 125.65 1mr4 s GLU 6 Ca -0.12 2.53 -0.28 0.00 0.00 0.00 0.00 54.97 57.10 1mr4 s GLU 6 Cb -0.06 -3.00 -0.03 0.00 2.00 0.00 0.00 34.13 33.04 1mr4 s GLU 6 CO 0.02 -0.53 1.93 -1.54 -0.56 0.00 0.00 175.26 174.58 1mr4 s SER 7 N 0.08 5.77 -0.35 -1.70 1.04 -1.22 -4.80 113.70 112.53 1mr4 s SER 7 Ca 0.56 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 1mr4 s SER 7 Cb -0.46 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.34 1mr4 s SER 7 CO 0.56 -1.77 2.13 -3.20 0.98 0.00 0.00 173.24 171.94 1mr4 n ASN 8 N 10.65 6.52 0.00 7.02 5.15 -1.26 -3.84 115.26 139.50 1mr4 n ASN 8 Ca 0.25 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1mr4 n ASN 8 Cb 0.46 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 1mr4 n ASN 8 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1mr4 n THR 9 N 0.38 0.00 -2.17 -0.44 -2.24 -1.26 -4.97 114.28 103.58 1mr4 n THR 9 Ca 0.34 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.70 1mr4 n THR 9 Cb 0.58 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1mr4 n THR 9 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1mr4 s PHE 10 N -1.14 2.87 0.33 4.78 5.36 -1.25 -4.93 117.98 124.00 1mr4 s PHE 10 Ca 0.00 0.77 0.02 0.00 -0.96 0.00 0.00 56.93 56.76 1mr4 s PHE 10 Cb 0.00 -3.71 0.58 0.00 -0.34 0.00 0.00 43.02 39.55 1mr4 s PHE 10 CO 0.00 -2.64 1.96 -1.35 -1.46 0.00 0.00 175.22 171.74 1mr4 h PRO 11 N 7.69 0.92 0.00 10.12 0.11 -1.99 -3.48 132.00 145.37 1mr4 h PRO 11 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mr4 h PRO 11 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1mr4 h PRO 11 CO 0.90 0.61 0.00 0.41 -0.21 0.00 0.00 178.00 179.71 1mr4 n GLY 12 N -1.42 1.73 3.67 -0.55 0.00 -1.26 -5.14 105.19 102.22 1mr4 n GLY 12 Ca 0.10 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 2.07 -2.49 -0.61 2.08 -1.26 -4.29 119.36 114.86 1mr4 n ILE 13 Ca 0.00 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.38 1mr4 n ILE 13 Cb 0.00 -1.45 -0.02 0.00 -0.75 0.00 0.00 39.64 37.42 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mr4 h ILE 15 N 5.80 1.03 -3.76 0.00 5.03 -1.91 -3.45 117.51 120.26 1mr4 h ILE 15 Ca -0.24 -2.30 -0.08 0.00 -0.12 0.00 0.00 64.86 62.11 1mr4 h ILE 15 Cb 1.09 2.59 -0.13 0.00 -3.03 0.00 0.00 36.82 37.33 1mr4 h ILE 15 CO 1.02 0.57 -0.29 0.42 -0.68 0.00 0.00 178.15 179.19 1mr4 s THR 16 N -2.41 0.10 0.01 -0.27 -4.23 -1.26 -5.08 115.64 102.49 1mr4 s THR 16 Ca -0.23 -1.16 -0.25 0.00 -1.18 0.00 0.00 61.69 58.86 1mr4 s THR 16 Cb 0.04 -1.53 -0.19 0.00 1.34 0.00 0.00 72.50 72.17 1mr4 s THR 16 CO 0.69 -0.44 1.41 0.50 -0.54 0.00 0.00 174.62 176.24 1mr4 h LYS 17 N 2.59 -0.00 -0.66 3.99 3.11 -1.98 -3.06 116.57 120.55 1mr4 h LYS 17 Ca -0.33 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 57.62 1mr4 h LYS 17 Cb 1.22 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.33 1mr4 h LYS 17 CO 0.51 0.33 -0.35 -1.35 -2.81 0.00 0.00 179.45 175.78 1mr4 h PRO 18 N -0.34 -0.13 -0.55 1.90 0.11 -1.98 0.46 132.00 131.47 1mr4 h PRO 18 Ca -0.00 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1mr4 h PRO 18 Cb 0.34 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1mr4 h PRO 18 CO 0.00 -0.09 -0.06 -1.35 -0.21 0.00 0.00 178.00 176.30 1mr4 h PRO 19 N -0.14 1.00 -0.39 1.05 0.11 -1.99 -0.62 132.00 131.02 1mr4 h PRO 19 Ca 0.25 -0.33 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1mr4 h PRO 19 Cb 0.56 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1mr4 h PRO 19 CO -0.73 1.01 0.22 0.00 -0.21 0.00 0.00 178.00 178.29 1mr4 h ARG 21 N 0.50 1.19 -0.69 0.00 2.43 0.08 -1.33 114.38 116.56 1mr4 h ARG 21 Ca 0.14 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1mr4 h ARG 21 Cb 0.04 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1mr4 h ARG 21 CO -0.02 0.83 0.44 -0.22 -1.51 0.00 0.00 179.97 179.48 1mr4 h LYS 22 N 1.21 0.92 -0.68 0.20 1.63 -0.46 0.10 116.57 119.49 1mr4 h LYS 22 Ca 0.32 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1mr4 h LYS 22 Cb -0.06 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 1mr4 h LYS 22 CO -0.06 0.63 0.19 0.00 -3.45 0.00 0.00 179.45 176.76 1mr4 h ALA 23 N 1.24 0.89 -0.59 5.00 0.00 -0.45 -1.15 119.26 124.20 1mr4 h ALA 23 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1mr4 h ALA 23 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1mr4 h ALA 23 CO -0.05 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.89 1mr4 h ILE 25 N 0.87 1.25 -0.36 0.00 2.04 -0.58 -2.50 117.51 118.24 1mr4 h ILE 25 Ca 0.18 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 1mr4 h ILE 25 Cb 0.41 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1mr4 h ILE 25 CO 0.01 0.38 -0.03 0.28 0.00 0.00 0.00 178.15 178.79 1mr4 h SER 26 N 0.55 0.55 -0.56 1.72 0.02 -0.93 -3.44 113.55 111.47 1mr4 h SER 26 Ca 0.09 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1mr4 h SER 26 Cb 0.58 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1mr4 h SER 26 CO 0.04 0.64 0.00 1.21 -1.14 0.00 0.00 176.83 177.58 1mr4 n GLU 27 N -4.25 1.83 -2.64 3.45 0.00 -0.87 -4.97 120.64 113.20 1mr4 n GLU 27 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.76 1mr4 n GLU 27 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.73 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 0.00 4.81 0.00 5.31 4.01 -1.26 -4.87 118.16 126.17 1mr4 n LYS 28 Ca 0.00 -4.34 0.00 0.00 -0.51 0.00 0.00 58.31 53.46 1mr4 n LYS 28 Cb 0.00 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 31.96 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 1.08 0.00 0.00 2.13 3.01 -1.16 -4.59 117.46 117.92 1mr4 n PHE 29 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1mr4 n PHE 29 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 -3.76 4.37 5.66 -0.81 -4.43 114.28 115.31 1mr4 n THR 30 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1mr4 n THR 30 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1mr4 n THR 30 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mr4 n ASP 31 N -0.48 -0.36 -0.17 1.09 -0.08 -1.04 -4.67 116.55 110.85 1mr4 n ASP 31 Ca 0.00 -1.54 0.00 0.00 -1.51 0.00 0.00 54.79 51.74 1mr4 n ASP 31 Cb 0.00 0.68 0.00 0.00 2.34 0.00 0.00 41.12 44.14 1mr4 n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mr4 n GLY 32 N -0.16 1.22 3.62 0.27 0.00 -1.26 -0.65 105.19 108.23 1mr4 n GLY 32 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 1mr4 n GLY 32 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mr4 s HIS 33 N -2.52 -0.02 -0.46 1.61 -3.43 -0.44 -4.92 115.29 105.11 1mr4 s HIS 33 Ca 0.00 0.01 -0.05 0.00 -0.80 0.00 0.00 55.06 54.22 1mr4 s HIS 33 Cb 0.00 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1mr4 s HIS 33 CO 0.00 -0.05 3.01 0.00 -2.00 0.00 0.00 174.74 175.70 1mr4 n SER 35 N 1.60 -6.87 -2.09 0.00 3.41 0.12 -3.48 113.62 106.31 1mr4 n SER 35 Ca 0.50 1.07 -0.22 0.00 -0.26 0.00 0.00 58.87 59.96 1mr4 n SER 35 Cb 0.62 -4.30 0.03 0.00 -0.26 0.00 0.00 64.21 60.30 1mr4 n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mr4 n LYS 36 N -0.53 2.09 0.00 4.33 5.02 -1.26 -4.14 118.16 123.66 1mr4 n LYS 36 Ca 0.00 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1mr4 n LYS 36 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 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 0.14 0.00 0.00 -0.18 -5.35 -1.26 -5.13 119.36 107.58 1mr4 n ILE 37 Ca 0.40 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 1mr4 n ILE 37 Cb 0.58 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1mr4 n ILE 37 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1mr4 n LEU 38 N -2.38 0.00 -2.84 7.28 4.77 -1.26 -5.09 117.00 117.48 1mr4 n LEU 38 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1mr4 n LEU 38 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1mr4 n LEU 38 CO 0.00 0.00 0.13 -1.14 -1.33 0.00 0.00 177.39 175.05 1mr4 n ARG 39 N 0.00 1.06 -4.32 3.23 0.63 -1.25 -4.74 116.66 111.27 1mr4 n ARG 39 Ca 0.00 -2.55 -0.28 0.00 -0.92 0.00 0.00 57.85 54.10 1mr4 n ARG 39 Cb 0.00 -1.05 -0.11 0.00 0.45 0.00 0.00 32.46 31.75 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 -1.10 1.82 -0.57 -0.14 1.81 -1.23 -0.06 118.95 119.49 1mr4 s ARG 40 Ca 0.28 -1.27 -0.28 0.00 -1.72 0.00 0.00 55.73 52.74 1mr4 s ARG 40 Cb 0.36 -2.08 0.03 0.00 -0.45 0.00 0.00 34.95 32.81 1mr4 s ARG 40 CO -0.05 0.45 1.19 0.00 -0.68 0.00 0.00 175.30 176.21 1mr4 s LEU 42 N 4.90 3.83 0.19 0.00 2.01 0.77 -3.39 118.68 126.99 1mr4 s LEU 42 Ca 0.44 -0.68 -0.14 0.00 0.01 0.00 0.00 54.13 53.76 1mr4 s LEU 42 Cb -0.07 -1.88 -0.07 0.00 0.01 0.00 0.00 46.19 44.17 1mr4 s LEU 42 CO 0.26 -0.18 0.59 0.00 1.01 0.00 0.00 176.35 178.03 1mr4 s THR 44 N -1.61 1.75 0.00 0.00 -4.23 0.18 -1.04 115.64 110.70 1mr4 s THR 44 Ca 0.42 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1mr4 s THR 44 Cb -0.14 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 1mr4 s THR 44 CO 0.20 0.49 0.27 -1.59 -0.54 0.00 0.00 174.62 173.44 1mr4 s LYS 45 N 1.22 3.58 -1.52 3.99 -2.85 -0.15 -1.92 119.74 122.10 1mr4 s LYS 45 Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 55.97 54.81 1mr4 s LYS 45 Cb -0.14 -3.09 -0.07 0.00 -2.06 0.00 0.00 37.83 32.48 1mr4 s LYS 45 CO -0.08 0.65 2.75 -0.35 0.10 0.00 0.00 175.35 178.42 1mr4 n PRO 46 N 1.17 3.38 0.00 1.78 -0.04 -1.26 0.52 135.00 140.54 1mr4 n PRO 46 Ca -0.12 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1mr4 n PRO 46 Cb 0.53 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46