#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 -3.01 -2.86 -0.14 1.02 0.13 -4.77 120.64 111.01 1mr4 n GLU 2 Ca 0.00 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 1mr4 n GLU 2 Cb 0.00 -4.94 -0.06 0.00 -0.02 0.00 0.00 31.44 26.42 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mr4 s LYS 4 N -0.89 4.16 -0.19 0.00 2.47 -1.26 -1.27 119.74 122.76 1mr4 s LYS 4 Ca 0.40 0.68 -0.10 0.00 -1.56 0.00 0.00 55.97 55.39 1mr4 s LYS 4 Cb -0.24 -3.63 0.07 0.00 -1.46 0.00 0.00 37.83 32.57 1mr4 s LYS 4 CO 0.29 -0.39 0.45 0.99 0.16 0.00 0.00 175.35 176.85 1mr4 s THR 5 N 2.42 -0.17 0.08 3.43 2.01 -0.23 -4.96 115.64 118.23 1mr4 s THR 5 Ca 0.29 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 1mr4 s THR 5 Cb -0.16 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.61 1mr4 s THR 5 CO 0.09 0.04 1.31 -1.83 -0.69 0.00 0.00 174.62 173.54 1mr4 s GLU 6 N 1.70 4.36 0.04 4.92 -1.05 -1.26 -1.64 118.70 125.78 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 -3.32 -0.15 0.00 -0.44 0.00 0.00 34.13 30.13 1mr4 s GLU 6 CO -0.14 -0.37 0.73 0.45 0.95 0.00 0.00 175.26 176.88 1mr4 n SER 7 N 4.08 -0.22 0.07 0.83 2.88 -1.02 -4.89 113.62 115.36 1mr4 n SER 7 Ca 0.11 0.90 -0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1mr4 n SER 7 Cb 0.44 -0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 63.04 1mr4 n SER 7 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1mr4 h ASN 8 N 1.98 0.32 0.13 -3.46 -1.24 -1.92 -3.36 115.58 108.02 1mr4 h ASN 8 Ca -0.36 -0.38 -0.17 0.00 0.71 0.00 0.00 56.30 56.10 1mr4 h ASN 8 Cb 1.11 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 40.08 1mr4 h ASN 8 CO 0.49 1.31 -0.75 0.71 -1.29 0.00 0.00 177.43 177.90 1mr4 h THR 9 N 0.06 1.54 -3.10 -3.57 1.35 -1.90 -3.44 112.91 103.84 1mr4 h THR 9 Ca -0.16 -2.52 -0.55 0.00 -0.55 0.00 0.00 66.41 62.63 1mr4 h THR 9 Cb 1.96 3.22 -0.02 0.00 -1.73 0.00 0.00 68.15 71.57 1mr4 h THR 9 CO 0.17 0.71 0.68 0.12 -0.25 0.00 0.00 175.52 176.95 1mr4 s PHE 10 N -2.42 3.21 0.51 4.73 5.36 -1.26 -4.98 117.98 123.13 1mr4 s PHE 10 Ca -0.14 1.22 -0.21 0.00 -0.96 0.00 0.00 56.93 56.84 1mr4 s PHE 10 Cb 0.01 -3.43 -0.09 0.00 -0.34 0.00 0.00 43.02 39.17 1mr4 s PHE 10 CO 0.82 -1.33 0.78 -2.30 -1.46 0.00 0.00 175.22 171.73 1mr4 n PRO 11 N 5.03 0.87 -0.31 10.12 -0.02 -1.26 -4.68 135.00 144.74 1mr4 n PRO 11 Ca 0.11 0.32 -0.01 0.00 -2.02 0.00 0.00 63.50 61.90 1mr4 n PRO 11 Cb 0.46 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.48 1.64 2.55 -1.23 0.00 -1.26 -4.45 105.19 103.92 1mr4 n GLY 12 Ca 0.11 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.20 -0.01 0.20 -0.61 1.01 -1.26 -4.74 121.20 117.00 1mr4 s ILE 13 Ca 0.08 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 1mr4 s ILE 13 Cb 0.04 -1.02 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 1mr4 s ILE 13 CO 0.00 -0.74 1.45 0.00 0.00 0.00 0.00 174.94 175.65 1mr4 n ILE 15 N 3.07 0.00 -3.72 0.00 2.08 -1.26 -4.91 119.36 114.61 1mr4 n ILE 15 Ca 0.09 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.31 1mr4 n ILE 15 Cb 0.40 -1.09 -0.03 0.00 -0.75 0.00 0.00 39.64 38.17 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 -1.95 0.02 0.00 1.39 -4.23 -1.26 -5.08 115.64 104.53 1mr4 s THR 16 Ca 0.00 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 1mr4 s THR 16 Cb 0.00 -1.56 -0.19 0.00 1.34 0.00 0.00 72.50 72.09 1mr4 s THR 16 CO 0.00 -0.10 1.36 0.50 -0.54 0.00 0.00 174.62 175.85 1mr4 h LYS 17 N 2.16 0.01 -0.66 3.99 1.63 -1.99 -3.12 116.57 118.60 1mr4 h LYS 17 Ca -0.28 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.63 1mr4 h LYS 17 Cb 1.27 -0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.77 1mr4 h LYS 17 CO 0.36 0.39 -0.35 -1.35 -3.45 0.00 0.00 179.45 175.06 1mr4 h PRO 18 N -0.38 -0.13 -0.30 1.90 0.11 -1.98 0.53 132.00 131.75 1mr4 h PRO 18 Ca 0.00 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 1mr4 h PRO 18 Cb 0.39 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1mr4 h PRO 18 CO 0.00 -0.09 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.28 1mr4 h PRO 19 N -0.14 0.59 -0.79 1.05 0.11 -2.01 -2.90 132.00 127.91 1mr4 h PRO 19 Ca 0.25 -0.22 0.01 0.00 0.11 0.00 0.00 66.00 66.14 1mr4 h PRO 19 Cb 0.56 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.60 1mr4 h PRO 19 CO -0.73 0.78 0.52 0.00 -0.21 0.00 0.00 178.00 178.36 1mr4 h ARG 21 N 1.07 -0.47 0.00 0.00 1.12 0.13 -2.72 114.38 113.50 1mr4 h ARG 21 Ca 0.29 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.19 1mr4 h ARG 21 Cb -0.12 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 29.95 1mr4 h ARG 21 CO -0.06 -0.32 -0.02 1.57 -3.11 0.00 0.00 179.97 178.04 1mr4 h LYS 22 N -0.49 0.00 -0.07 0.20 2.10 -1.50 -2.49 116.57 114.33 1mr4 h LYS 22 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1mr4 h LYS 22 Cb 0.43 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1mr4 h LYS 22 CO -0.03 0.02 0.04 0.00 -2.00 0.00 0.00 179.45 177.47 1mr4 h ALA 23 N 1.98 0.08 -0.61 0.07 0.00 -1.13 0.75 119.26 120.41 1mr4 h ALA 23 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mr4 h ALA 23 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1mr4 h ALA 23 CO 0.00 -0.40 0.19 0.00 0.00 0.00 0.00 179.25 179.05 1mr4 h ILE 25 N 0.89 1.23 -0.98 0.00 2.04 -1.02 -2.47 117.51 117.21 1mr4 h ILE 25 Ca 0.20 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1mr4 h ILE 25 Cb 0.25 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1mr4 h ILE 25 CO -0.01 0.29 0.64 0.28 0.00 0.00 0.00 178.15 179.36 1mr4 h SER 26 N 0.81 1.11 0.00 1.72 0.02 -0.51 -3.43 113.55 113.26 1mr4 h SER 26 Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1mr4 h SER 26 Cb 0.25 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1mr4 h SER 26 CO -0.01 0.79 0.00 -0.62 -1.14 0.00 0.00 176.83 175.85 1mr4 n GLU 27 N -4.42 3.52 -2.21 3.45 1.02 -0.99 -4.94 120.64 116.06 1mr4 n GLU 27 Ca 0.12 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 1mr4 n GLU 27 Cb 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.47 1mr4 n GLU 27 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mr4 n LYS 28 N 0.00 3.15 0.00 3.49 4.76 -1.25 -4.95 118.16 123.36 1mr4 n LYS 28 Ca 0.00 -4.08 0.00 0.00 -2.87 0.00 0.00 58.31 51.36 1mr4 n LYS 28 Cb 0.00 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 30.93 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1mr4 n PHE 29 N -0.52 0.00 0.00 2.13 3.01 -0.96 -4.17 117.46 116.95 1mr4 n PHE 29 Ca 0.46 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.92 1mr4 n PHE 29 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 -4.05 4.37 5.66 -0.01 -4.47 114.28 115.77 1mr4 n THR 30 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1mr4 n THR 30 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 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 -0.87 0.08 -0.06 1.09 2.15 -1.14 -4.65 116.67 113.27 1mr4 s ASP 31 Ca 0.00 -1.10 -0.30 0.00 0.43 0.00 0.00 52.55 51.58 1mr4 s ASP 31 Cb 0.00 0.55 0.09 0.00 -0.30 0.00 0.00 42.92 43.27 1mr4 s ASP 31 CO 0.00 -1.10 0.81 -0.83 -0.17 0.00 0.00 175.17 173.89 1mr4 s GLY 32 N -3.08 -0.46 0.14 2.66 0.00 -1.26 -0.02 107.32 105.30 1mr4 s GLY 32 Ca 0.27 1.44 -0.19 0.00 0.00 0.00 0.00 44.72 46.24 1mr4 s GLY 32 CO 0.11 0.81 0.49 -2.38 0.00 0.00 0.00 173.10 172.13 1mr4 s HIS 33 N -1.71 -0.35 0.00 1.90 -3.43 -0.30 -4.36 115.29 107.05 1mr4 s HIS 33 Ca -0.04 0.07 -0.23 0.00 -0.80 0.00 0.00 55.06 54.06 1mr4 s HIS 33 Cb -0.00 0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 31.49 1mr4 s HIS 33 CO 0.02 -0.77 0.71 0.00 -2.00 0.00 0.00 174.74 172.70 1mr4 s SER 35 N 0.16 6.83 -0.10 0.00 0.15 -1.07 -4.90 113.70 114.77 1mr4 s SER 35 Ca 0.36 2.42 0.01 0.00 0.70 0.00 0.00 55.95 59.45 1mr4 s SER 35 Cb -0.19 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.65 1mr4 s SER 35 CO 0.20 -0.47 1.15 0.29 1.20 0.00 0.00 173.24 175.62 1mr4 n LYS 36 N 0.63 1.39 0.00 5.44 4.76 -1.26 -3.63 118.16 125.48 1mr4 n LYS 36 Ca 0.01 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1mr4 n LYS 36 Cb 0.45 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1mr4 n LYS 36 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1mr4 n ILE 37 N 0.12 0.00 -4.68 -0.18 2.08 -1.26 -5.09 119.36 110.34 1mr4 n ILE 37 Ca 0.13 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.10 1mr4 n ILE 37 Cb 0.73 -0.23 -0.12 0.00 -0.75 0.00 0.00 39.64 39.27 1mr4 n ILE 37 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mr4 s LEU 38 N -4.41 3.03 -1.43 1.39 1.43 -1.24 -5.02 118.68 112.43 1mr4 s LEU 38 Ca 0.00 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1mr4 s LEU 38 Cb 0.00 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1mr4 s LEU 38 CO 0.00 0.32 2.69 -1.14 0.23 0.00 0.00 176.35 178.45 1mr4 n ARG 39 N 2.50 4.10 -4.29 1.70 0.63 -1.26 -2.99 116.66 117.05 1mr4 n ARG 39 Ca -0.18 -2.81 -0.23 0.00 -0.92 0.00 0.00 57.85 53.71 1mr4 n ARG 39 Cb 0.53 -2.69 -0.12 0.00 0.45 0.00 0.00 32.46 30.62 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 0.44 1.14 -0.86 -0.14 1.81 -1.26 -0.76 118.95 119.32 1mr4 s ARG 40 Ca 0.62 -1.20 -0.21 0.00 -1.72 0.00 0.00 55.73 53.22 1mr4 s ARG 40 Cb 0.19 -1.35 0.10 0.00 -0.45 0.00 0.00 34.95 33.43 1mr4 s ARG 40 CO -0.08 0.31 1.14 0.00 -0.68 0.00 0.00 175.30 175.99 1mr4 s LEU 42 N 3.59 3.29 0.18 0.00 1.02 0.18 -2.43 118.68 124.51 1mr4 s LEU 42 Ca 0.32 -0.04 -0.14 0.00 0.02 0.00 0.00 54.13 54.30 1mr4 s LEU 42 Cb -0.07 -2.79 -0.07 0.00 0.02 0.00 0.00 46.19 43.28 1mr4 s LEU 42 CO -0.03 -1.83 0.58 0.00 0.02 0.00 0.00 176.35 175.08 1mr4 s THR 44 N -1.58 3.88 0.15 0.00 -4.23 0.97 -1.06 115.64 113.77 1mr4 s THR 44 Ca 0.41 -0.34 0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1mr4 s THR 44 Cb -0.14 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1mr4 s THR 44 CO 0.20 0.45 -0.25 -1.59 -0.54 0.00 0.00 174.62 172.88 1mr4 s LYS 45 N 0.82 1.42 0.20 3.99 -2.85 -0.40 -0.83 119.74 122.09 1mr4 s LYS 45 Ca -0.00 -1.40 -0.32 0.00 -1.00 0.00 0.00 55.97 53.25 1mr4 s LYS 45 Cb -0.14 -1.82 -0.12 0.00 -2.06 0.00 0.00 37.83 33.69 1mr4 s LYS 45 CO 0.02 0.42 1.69 -1.25 0.10 0.00 0.00 175.35 176.32 1mr4 s PRO 46 N -2.30 4.14 0.00 1.78 0.04 -1.26 0.20 135.00 137.60 1mr4 s PRO 46 Ca 0.16 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1mr4 s PRO 46 Cb -0.09 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1mr4 s PRO 46 CO 0.07 -0.72 0.00 0.00 0.04 0.00 0.00 177.00 176.39