#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 -2.68 -3.13 5.56 2.13 0.18 -4.74 120.64 117.96 1mr4 n GLU 2 Ca 0.00 0.54 -0.39 0.00 0.66 0.00 0.00 57.16 57.97 1mr4 n GLU 2 Cb 0.00 -4.41 -0.06 0.00 0.27 0.00 0.00 31.44 27.24 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 -0.92 4.15 -0.18 0.00 -0.14 -1.26 -1.16 119.74 120.23 1mr4 s LYS 4 Ca 0.33 0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 55.53 1mr4 s LYS 4 Cb -0.21 -3.64 0.07 0.00 -1.68 0.00 0.00 37.83 32.37 1mr4 s LYS 4 CO 0.22 -0.43 0.41 0.99 -0.76 0.00 0.00 175.35 175.78 1mr4 s THR 5 N 2.54 -0.15 0.19 2.17 2.01 -0.12 -4.97 115.64 117.32 1mr4 s THR 5 Ca 0.29 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1mr4 s THR 5 Cb -0.15 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.65 1mr4 s THR 5 CO 0.08 0.05 1.23 -1.83 -0.69 0.00 0.00 174.62 173.46 1mr4 s GLU 6 N 1.66 4.46 -0.20 4.92 -1.05 -1.26 -0.46 118.70 126.77 1mr4 s GLU 6 Ca -0.08 1.93 -0.29 0.00 -0.15 0.00 0.00 54.97 56.38 1mr4 s GLU 6 Cb -0.09 -3.22 -0.00 0.00 -0.44 0.00 0.00 34.13 30.37 1mr4 s GLU 6 CO -0.13 -0.13 1.20 0.45 0.95 0.00 0.00 175.26 177.61 1mr4 s SER 7 N 0.15 6.95 0.28 0.83 0.15 0.33 -4.87 113.70 117.52 1mr4 s SER 7 Ca 0.54 1.53 0.15 0.00 0.70 0.00 0.00 55.95 58.86 1mr4 s SER 7 Cb -0.34 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.54 1mr4 s SER 7 CO 0.37 -0.78 1.46 0.78 1.20 0.00 0.00 173.24 176.27 1mr4 h ASN 8 N 8.15 0.00 0.89 5.45 -0.26 -1.93 -3.11 115.58 124.77 1mr4 h ASN 8 Ca -0.24 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.46 1mr4 h ASN 8 Cb 1.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.34 1mr4 h ASN 8 CO 0.98 0.52 -0.20 0.74 -1.06 0.00 0.00 177.43 178.42 1mr4 h THR 9 N 0.00 0.51 -2.56 2.81 2.02 -1.94 -3.43 112.91 110.32 1mr4 h THR 9 Ca -0.01 -1.03 -0.54 0.00 0.77 0.00 0.00 66.41 65.60 1mr4 h THR 9 Cb 1.37 1.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1mr4 h THR 9 CO 0.07 0.20 1.11 0.12 0.37 0.00 0.00 175.52 177.38 1mr4 s PHE 10 N -3.69 1.88 0.07 3.16 5.36 -1.18 -4.95 117.98 118.63 1mr4 s PHE 10 Ca 0.00 0.03 -0.30 0.00 -0.96 0.00 0.00 56.93 55.70 1mr4 s PHE 10 Cb 0.10 -4.02 -0.06 0.00 -0.34 0.00 0.00 43.02 38.70 1mr4 s PHE 10 CO 0.63 -4.36 1.19 -1.25 -1.46 0.00 0.00 175.22 169.96 1mr4 s PRO 11 N 3.84 4.45 2.69 10.12 0.04 -1.26 -4.86 135.00 150.02 1mr4 s PRO 11 Ca 0.78 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1mr4 s PRO 11 Cb -0.38 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1mr4 s PRO 11 CO 0.34 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1mr4 n GLY 12 N 3.08 -0.64 3.88 0.56 0.00 -1.26 -4.85 105.19 105.96 1mr4 n GLY 12 Ca 0.08 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1mr4 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mr4 s ILE 13 N 0.00 5.41 0.05 -0.61 1.09 -1.26 -4.97 121.20 120.91 1mr4 s ILE 13 Ca 0.00 -0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.23 1mr4 s ILE 13 Cb 0.00 -3.45 -0.09 0.00 -1.06 0.00 0.00 42.46 37.86 1mr4 s ILE 13 CO 0.00 0.45 1.85 0.00 -0.10 0.00 0.00 174.94 177.15 1mr4 n ILE 15 N 5.23 0.00 -4.37 0.00 2.08 -1.26 -4.81 119.36 116.23 1mr4 n ILE 15 Ca 0.18 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.19 1mr4 n ILE 15 Cb 0.40 -0.44 -0.10 0.00 -0.75 0.00 0.00 39.64 38.75 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 -1.74 3.38 0.01 1.39 -4.23 -1.26 -5.03 115.64 108.15 1mr4 s THR 16 Ca 0.00 -1.09 -0.25 0.00 -1.18 0.00 0.00 61.69 59.17 1mr4 s THR 16 Cb 0.00 -2.52 -0.18 0.00 1.34 0.00 0.00 72.50 71.14 1mr4 s THR 16 CO 0.00 0.24 1.34 0.50 -0.54 0.00 0.00 174.62 176.16 1mr4 h LYS 17 N 4.05 -0.12 -0.50 3.99 1.63 -1.99 -3.07 116.57 120.56 1mr4 h LYS 17 Ca -0.48 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.41 1mr4 h LYS 17 Cb 1.16 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.72 1mr4 h LYS 17 CO 0.52 0.23 -0.35 -1.35 -3.45 0.00 0.00 179.45 175.05 1mr4 h PRO 18 N -0.48 -0.21 -0.49 1.90 0.11 -1.97 0.42 132.00 131.28 1mr4 h PRO 18 Ca -0.01 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1mr4 h PRO 18 Cb 0.40 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1mr4 h PRO 18 CO 0.02 -0.14 -0.17 -1.35 -0.21 0.00 0.00 178.00 176.15 1mr4 h PRO 19 N -0.22 0.97 -0.18 1.05 0.11 -1.99 -0.79 132.00 130.95 1mr4 h PRO 19 Ca 0.20 -0.40 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1mr4 h PRO 19 Cb 0.55 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1mr4 h PRO 19 CO -0.62 1.07 0.11 0.00 -0.21 0.00 0.00 178.00 178.34 1mr4 h ARG 21 N 0.21 1.19 -0.51 0.00 1.12 -0.09 -1.18 114.38 115.11 1mr4 h ARG 21 Ca 0.06 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1mr4 h ARG 21 Cb 0.03 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.70 1mr4 h ARG 21 CO -0.01 0.79 0.18 -0.22 -3.11 0.00 0.00 179.97 177.59 1mr4 h LYS 22 N 1.22 0.78 -0.72 0.20 1.63 -0.40 -1.41 116.57 117.88 1mr4 h LYS 22 Ca 0.42 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1mr4 h LYS 22 Cb 0.09 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1mr4 h LYS 22 CO -0.15 0.72 0.26 0.00 -3.45 0.00 0.00 179.45 176.82 1mr4 h ALA 23 N 1.03 0.93 -0.66 5.00 0.00 -0.14 -1.08 119.26 124.36 1mr4 h ALA 23 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1mr4 h ALA 23 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mr4 h ALA 23 CO -0.01 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.06 1mr4 h ILE 25 N 0.95 1.28 -0.72 0.00 2.04 -0.83 -2.92 117.51 117.31 1mr4 h ILE 25 Ca 0.22 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1mr4 h ILE 25 Cb 0.22 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1mr4 h ILE 25 CO -0.02 0.49 0.21 0.28 0.00 0.00 0.00 178.15 179.12 1mr4 h SER 26 N 0.69 1.07 -3.03 1.72 0.02 -0.78 -3.44 113.55 109.80 1mr4 h SER 26 Ca 0.07 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.58 1mr4 h SER 26 Cb 0.88 -0.28 0.09 0.00 0.14 0.00 0.00 62.40 63.22 1mr4 h SER 26 CO 0.08 1.01 0.21 -0.62 -1.14 0.00 0.00 176.83 176.36 1mr4 n GLU 27 N -4.26 -0.62 -1.80 3.45 -0.58 -0.40 -4.94 120.64 111.49 1mr4 n GLU 27 Ca 0.06 -1.07 -0.36 0.00 -0.42 0.00 0.00 57.16 55.36 1mr4 n GLU 27 Cb 0.24 -0.68 -0.02 0.00 -0.57 0.00 0.00 31.44 30.40 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 -2.42 3.95 0.00 3.49 5.02 -1.26 -4.79 118.16 122.15 1mr4 n LYS 28 Ca 0.09 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1mr4 n LYS 28 Cb 0.30 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 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 1.64 0.00 0.00 2.13 3.01 -1.16 -4.52 117.46 118.56 1mr4 n PHE 29 Ca 0.60 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.06 1mr4 n PHE 29 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 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 -4.07 4.37 5.66 -0.04 -4.41 114.28 115.79 1mr4 n THR 30 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1mr4 n THR 30 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.89 1.00 0.15 1.09 -1.08 -1.15 -4.71 116.67 111.08 1mr4 s ASP 31 Ca 0.00 -1.53 -0.25 0.00 -0.52 0.00 0.00 52.55 50.25 1mr4 s ASP 31 Cb 0.00 0.70 0.07 0.00 -1.46 0.00 0.00 42.92 42.24 1mr4 s ASP 31 CO 0.00 -1.37 1.02 -0.83 0.52 0.00 0.00 175.17 174.51 1mr4 s GLY 32 N -3.25 -0.13 -0.03 2.66 0.00 -1.26 -0.24 107.32 105.05 1mr4 s GLY 32 Ca 0.30 0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 1mr4 s GLY 32 CO 0.21 0.82 1.27 -2.38 0.00 0.00 0.00 173.10 173.02 1mr4 s HIS 33 N -2.82 -0.06 -0.05 1.90 -3.43 -0.34 -4.65 115.29 105.84 1mr4 s HIS 33 Ca 0.16 -0.05 -0.24 0.00 -0.80 0.00 0.00 55.06 54.13 1mr4 s HIS 33 Cb -0.01 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 1mr4 s HIS 33 CO 0.03 -0.28 0.72 0.00 -2.00 0.00 0.00 174.74 173.21 1mr4 s SER 35 N 0.71 6.76 -0.15 0.00 0.15 -1.04 -4.86 113.70 115.26 1mr4 s SER 35 Ca 0.38 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.56 1mr4 s SER 35 Cb -0.18 -2.64 0.16 0.00 -1.71 0.00 0.00 66.02 61.65 1mr4 s SER 35 CO 0.19 -0.53 1.60 0.29 1.20 0.00 0.00 173.24 175.99 1mr4 n LYS 36 N 0.63 1.40 0.00 5.44 5.02 -1.26 -3.53 118.16 125.86 1mr4 n LYS 36 Ca 0.01 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1mr4 n LYS 36 Cb 0.44 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1mr4 n ILE 37 N 0.40 0.00 -5.19 -0.18 5.41 -1.26 -5.09 119.36 113.45 1mr4 n ILE 37 Ca 0.17 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.60 1mr4 n ILE 37 Cb 0.70 -0.29 -0.16 0.00 -0.71 0.00 0.00 39.64 39.18 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 -4.73 2.22 -0.64 1.39 1.43 -1.23 -5.02 118.68 112.09 1mr4 s LEU 38 Ca 0.00 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1mr4 s LEU 38 Cb 0.00 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 1mr4 s LEU 38 CO 0.00 0.29 3.05 -1.14 0.23 0.00 0.00 176.35 178.78 1mr4 n ARG 39 N 2.67 2.85 -4.34 1.70 0.63 -1.26 -3.01 116.66 115.89 1mr4 n ARG 39 Ca -0.17 -2.03 -0.28 0.00 -0.92 0.00 0.00 57.85 54.46 1mr4 n ARG 39 Cb 0.52 -2.29 -0.11 0.00 0.45 0.00 0.00 32.46 31.03 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 0.03 1.75 -0.95 -0.14 1.81 -1.26 -2.81 118.95 117.38 1mr4 s ARG 40 Ca 0.63 -1.33 -0.24 0.00 -1.72 0.00 0.00 55.73 53.07 1mr4 s ARG 40 Cb 0.29 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.73 1mr4 s ARG 40 CO -0.09 0.44 1.87 0.00 -0.68 0.00 0.00 175.30 176.83 1mr4 s LEU 42 N 9.28 3.25 0.28 0.00 2.96 0.26 -0.51 118.68 134.20 1mr4 s LEU 42 Ca 0.66 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 1mr4 s LEU 42 Cb -0.05 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1mr4 s LEU 42 CO -0.01 -2.19 0.64 0.00 -1.32 0.00 0.00 176.35 173.47 1mr4 s THR 44 N -1.91 3.97 -0.07 0.00 -4.23 0.66 -0.94 115.64 113.13 1mr4 s THR 44 Ca 0.51 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1mr4 s THR 44 Cb -0.11 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1mr4 s THR 44 CO 0.19 0.39 -0.06 -1.59 -0.54 0.00 0.00 174.62 173.01 1mr4 s LYS 45 N 1.39 2.78 -0.70 3.99 -2.85 -0.31 -0.86 119.74 123.18 1mr4 s LYS 45 Ca 0.05 -0.53 -0.06 0.00 -1.00 0.00 0.00 55.97 54.43 1mr4 s LYS 45 Cb -0.15 -2.61 -0.10 0.00 -2.06 0.00 0.00 37.83 32.91 1mr4 s LYS 45 CO 0.01 0.67 2.40 -0.35 0.10 0.00 0.00 175.35 178.18 1mr4 n PRO 46 N 2.22 2.05 0.00 1.78 -0.04 -1.26 0.50 135.00 140.25 1mr4 n PRO 46 Ca -0.18 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1mr4 n PRO 46 Cb 0.53 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46