#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 -2.63 -3.23 5.56 0.00 0.13 -4.74 120.64 115.73 1mr4 n GLU 2 Ca 0.00 0.34 -0.39 0.00 0.00 0.00 0.00 57.16 57.11 1mr4 n GLU 2 Cb 0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 31.44 27.55 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mr4 s LYS 4 N -0.40 4.21 -0.15 0.00 3.01 -1.26 -1.09 119.74 124.06 1mr4 s LYS 4 Ca 0.30 0.75 -0.13 0.00 -1.01 0.00 0.00 55.97 55.88 1mr4 s LYS 4 Cb -0.18 -3.60 0.04 0.00 -1.01 0.00 0.00 37.83 33.07 1mr4 s LYS 4 CO 0.17 -0.34 0.39 0.99 0.51 0.00 0.00 175.35 177.07 1mr4 s THR 5 N 2.25 -0.00 0.28 2.17 2.01 -0.14 -4.99 115.64 117.21 1mr4 s THR 5 Ca 0.31 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1mr4 s THR 5 Cb -0.16 -0.54 -0.10 0.00 0.01 0.00 0.00 72.50 71.71 1mr4 s THR 5 CO 0.10 0.00 1.24 -0.70 -0.69 0.00 0.00 174.62 174.56 1mr4 s GLU 6 N 0.21 4.46 0.09 4.92 2.56 -1.26 -1.74 118.70 127.94 1mr4 s GLU 6 Ca -0.00 2.04 -0.31 0.00 0.00 0.00 0.00 54.97 56.70 1mr4 s GLU 6 Cb -0.03 -3.14 -0.07 0.00 2.00 0.00 0.00 34.13 32.89 1mr4 s GLU 6 CO 0.01 -0.07 1.34 0.45 -0.56 0.00 0.00 175.26 176.43 1mr4 s SER 7 N -0.41 6.89 0.06 -1.70 0.15 -1.14 -4.91 113.70 112.64 1mr4 s SER 7 Ca 0.49 2.22 0.09 0.00 0.70 0.00 0.00 55.95 59.45 1mr4 s SER 7 Cb -0.36 -2.58 -0.22 0.00 -1.71 0.00 0.00 66.02 61.15 1mr4 s SER 7 CO 0.45 -0.61 1.05 0.78 1.20 0.00 0.00 173.24 176.11 1mr4 h ASN 8 N 6.91 0.01 1.66 5.45 4.21 -1.93 -3.31 115.58 128.58 1mr4 h ASN 8 Ca -0.42 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.01 1mr4 h ASN 8 Cb 1.21 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 1mr4 h ASN 8 CO 0.85 1.01 -0.33 0.71 -1.29 0.00 0.00 177.43 178.38 1mr4 h THR 9 N 0.00 0.57 -2.60 2.81 1.35 -1.91 -3.45 112.91 109.68 1mr4 h THR 9 Ca -0.11 -1.80 -0.53 0.00 -0.55 0.00 0.00 66.41 63.42 1mr4 h THR 9 Cb 1.86 2.28 0.03 0.00 -1.73 0.00 0.00 68.15 70.59 1mr4 h THR 9 CO 0.11 0.32 1.07 0.12 -0.25 0.00 0.00 175.52 176.89 1mr4 s PHE 10 N -3.05 2.29 -0.24 4.73 5.36 -1.25 -4.95 117.98 120.87 1mr4 s PHE 10 Ca 0.05 0.12 -0.26 0.00 -0.96 0.00 0.00 56.93 55.87 1mr4 s PHE 10 Cb 0.07 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1mr4 s PHE 10 CO 0.72 -4.49 0.91 -1.25 -1.46 0.00 0.00 175.22 169.65 1mr4 s PRO 11 N 2.60 4.20 3.51 10.12 0.04 -1.26 -4.93 135.00 149.28 1mr4 s PRO 11 Ca 0.78 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1mr4 s PRO 11 Cb -0.44 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1mr4 s PRO 11 CO 0.35 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1mr4 n GLY 12 N 3.61 0.58 3.79 0.56 0.00 -1.26 -4.79 105.19 107.68 1mr4 n GLY 12 Ca 0.08 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 4.02 -0.12 -0.61 -1.09 -1.26 -4.95 121.20 117.18 1mr4 s ILE 13 Ca 0.00 1.49 -0.34 0.00 -2.23 0.00 0.00 60.65 59.58 1mr4 s ILE 13 Cb 0.00 -3.75 -0.11 0.00 -1.58 0.00 0.00 42.46 37.02 1mr4 s ILE 13 CO 0.00 -0.04 1.94 0.00 -1.23 0.00 0.00 174.94 175.61 1mr4 h ILE 15 N 5.74 0.89 -3.48 0.00 1.08 -1.91 -3.46 117.51 116.38 1mr4 h ILE 15 Ca -0.46 -2.15 -0.13 0.00 -0.39 0.00 0.00 64.86 61.72 1mr4 h ILE 15 Cb 1.27 2.17 -0.03 0.00 -3.07 0.00 0.00 36.82 37.17 1mr4 h ILE 15 CO 0.96 0.30 0.08 0.42 -0.69 0.00 0.00 178.15 179.22 1mr4 s THR 16 N -2.36 0.00 -0.03 -0.27 -4.23 -1.26 -5.08 115.64 102.41 1mr4 s THR 16 Ca -0.29 -1.25 -0.25 0.00 -1.18 0.00 0.00 61.69 58.72 1mr4 s THR 16 Cb 0.06 -2.80 -0.20 0.00 1.34 0.00 0.00 72.50 70.90 1mr4 s THR 16 CO 0.58 0.00 1.19 0.50 -0.54 0.00 0.00 174.62 176.35 1mr4 h LYS 17 N 2.04 0.09 -0.55 3.99 3.11 -1.98 -3.22 116.57 120.06 1mr4 h LYS 17 Ca -0.31 -0.06 0.10 0.00 -2.81 0.00 0.00 60.65 57.57 1mr4 h LYS 17 Cb 1.25 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 32.37 1mr4 h LYS 17 CO 0.40 0.66 -0.31 -1.35 -2.81 0.00 0.00 179.45 176.04 1mr4 h PRO 18 N -0.46 -0.16 -0.74 1.90 0.11 -1.98 0.22 132.00 130.90 1mr4 h PRO 18 Ca -0.00 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1mr4 h PRO 18 Cb 0.66 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1mr4 h PRO 18 CO 0.01 -0.10 0.25 -1.35 -0.21 0.00 0.00 178.00 176.60 1mr4 h PRO 19 N -0.16 1.14 -0.66 1.05 0.11 -2.00 -2.31 132.00 129.16 1mr4 h PRO 19 Ca 0.23 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1mr4 h PRO 19 Cb 0.54 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 1mr4 h PRO 19 CO -0.64 0.96 0.36 0.00 -0.21 0.00 0.00 178.00 178.47 1mr4 h ARG 21 N 0.90 0.38 -0.42 0.00 1.12 -0.20 -1.72 114.38 114.44 1mr4 h ARG 21 Ca 0.23 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.04 1mr4 h ARG 21 Cb 0.04 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.90 1mr4 h ARG 21 CO -0.04 0.25 0.11 -0.22 -3.11 0.00 0.00 179.97 176.96 1mr4 h LYS 22 N 0.40 0.67 -0.14 0.20 1.63 -0.86 -2.55 116.57 115.92 1mr4 h LYS 22 Ca 0.29 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1mr4 h LYS 22 Cb 0.35 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1mr4 h LYS 22 CO -0.29 0.68 0.01 0.00 -3.45 0.00 0.00 179.45 176.40 1mr4 h ALA 23 N 0.96 0.13 -0.83 5.00 0.00 -0.46 -0.82 119.26 123.24 1mr4 h ALA 23 Ca 0.13 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1mr4 h ALA 23 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1mr4 h ALA 23 CO 0.00 -0.44 0.53 0.00 0.00 0.00 0.00 179.25 179.34 1mr4 h ILE 25 N 1.01 1.25 -0.51 0.00 2.04 -1.07 -2.98 117.51 117.24 1mr4 h ILE 25 Ca 0.34 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1mr4 h ILE 25 Cb 0.04 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1mr4 h ILE 25 CO -0.13 0.39 0.23 0.28 0.00 0.00 0.00 178.15 178.92 1mr4 h SER 26 N 0.75 0.69 0.00 1.72 0.02 -0.51 -3.44 113.55 112.78 1mr4 h SER 26 Ca 0.14 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1mr4 h SER 26 Cb 0.54 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1mr4 h SER 26 CO 0.03 0.64 0.00 -0.62 -1.14 0.00 0.00 176.83 175.74 1mr4 n GLU 27 N -4.57 3.01 -2.48 3.45 1.02 -0.88 -4.95 120.64 115.23 1mr4 n GLU 27 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 1mr4 n GLU 27 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.56 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 3.87 0.00 3.49 4.76 -1.26 -4.94 118.16 124.08 1mr4 n LYS 28 Ca 0.00 -4.38 0.00 0.00 -2.87 0.00 0.00 58.31 51.06 1mr4 n LYS 28 Cb 0.00 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 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 -0.31 0.00 0.00 2.13 3.72 -1.14 -4.49 117.46 117.37 1mr4 n PHE 29 Ca 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1mr4 n PHE 29 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1mr4 n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mr4 n THR 30 N 0.00 0.00 -4.23 4.37 5.66 -0.21 -4.45 114.28 115.42 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 -0.10 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 -0.94 0.54 -0.17 1.09 -1.08 -0.91 -4.83 116.67 110.37 1mr4 s ASP 31 Ca 0.00 -1.46 -0.32 0.00 -0.52 0.00 0.00 52.55 50.25 1mr4 s ASP 31 Cb 0.00 0.40 0.14 0.00 -1.46 0.00 0.00 42.92 42.00 1mr4 s ASP 31 CO 0.00 -0.88 1.14 -0.83 0.52 0.00 0.00 175.17 175.13 1mr4 s GLY 32 N -3.22 -0.25 0.08 2.66 0.00 -1.26 -0.38 107.32 104.95 1mr4 s GLY 32 Ca 0.39 1.80 -0.27 0.00 0.00 0.00 0.00 44.72 46.64 1mr4 s GLY 32 CO 0.15 0.70 0.94 -2.38 0.00 0.00 0.00 173.10 172.51 1mr4 s HIS 33 N -2.03 -0.22 -0.16 1.90 -3.43 -0.43 -4.53 115.29 106.39 1mr4 s HIS 33 Ca 0.06 -0.01 -0.24 0.00 -0.80 0.00 0.00 55.06 54.08 1mr4 s HIS 33 Cb -0.01 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.71 1mr4 s HIS 33 CO -0.05 -0.69 0.77 0.00 -2.00 0.00 0.00 174.74 172.77 1mr4 s SER 35 N 1.11 6.60 0.00 0.00 0.15 -0.57 -4.86 113.70 116.13 1mr4 s SER 35 Ca 0.36 2.39 -0.03 0.00 0.70 0.00 0.00 55.95 59.37 1mr4 s SER 35 Cb -0.17 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.48 1mr4 s SER 35 CO 0.13 -0.96 2.33 2.29 1.20 0.00 0.00 173.24 178.23 1mr4 n LYS 36 N 7.06 1.21 -0.05 5.44 0.00 -1.26 -2.35 118.16 128.21 1mr4 n LYS 36 Ca 0.18 -0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.00 1mr4 n LYS 36 Cb 0.42 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 33.82 1mr4 n LYS 36 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1mr4 n ILE 37 N 2.33 0.00 0.00 0.58 -5.35 -1.26 -5.10 119.36 110.56 1mr4 n ILE 37 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.69 1mr4 n ILE 37 Cb 0.56 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1mr4 n ILE 37 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1mr4 n LEU 38 N 0.00 0.00 -2.84 7.28 7.94 -0.99 -5.07 117.00 123.32 1mr4 n LEU 38 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1mr4 n LEU 38 Cb 0.51 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.51 1mr4 n LEU 38 CO 0.00 0.00 0.15 -1.14 -1.11 0.00 0.00 177.39 175.29 1mr4 n ARG 39 N 0.00 1.06 -4.37 1.96 0.63 -1.26 -4.84 116.66 109.85 1mr4 n ARG 39 Ca 0.00 -2.50 -0.27 0.00 -0.92 0.00 0.00 57.85 54.16 1mr4 n ARG 39 Cb 0.00 -1.05 -0.13 0.00 0.45 0.00 0.00 32.46 31.74 1mr4 n ARG 39 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1mr4 s ARG 40 N -1.00 1.35 -1.14 -0.14 1.70 -1.26 -2.39 118.95 116.07 1mr4 s ARG 40 Ca 0.28 -1.34 -0.20 0.00 -0.47 0.00 0.00 55.73 54.00 1mr4 s ARG 40 Cb 0.35 -1.74 0.07 0.00 -0.57 0.00 0.00 34.95 33.07 1mr4 s ARG 40 CO -0.05 0.40 1.54 0.00 -1.08 0.00 0.00 175.30 176.11 1mr4 s LEU 42 N 4.27 3.29 0.22 0.00 2.96 0.12 -2.88 118.68 126.66 1mr4 s LEU 42 Ca 0.48 -0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 1mr4 s LEU 42 Cb 0.01 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.06 1mr4 s LEU 42 CO -0.02 -1.90 0.61 0.00 -1.32 0.00 0.00 176.35 173.72 1mr4 s THR 44 N -1.69 2.55 0.03 0.00 -4.23 0.48 -0.97 115.64 111.82 1mr4 s THR 44 Ca 0.45 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1mr4 s THR 44 Cb -0.13 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1mr4 s THR 44 CO 0.20 0.52 -0.08 -1.59 -0.54 0.00 0.00 174.62 173.13 1mr4 s LYS 45 N 0.89 2.44 -0.88 3.99 -2.85 -0.25 -1.05 119.74 122.03 1mr4 s LYS 45 Ca -0.04 -0.81 -0.07 0.00 -1.00 0.00 0.00 55.97 54.06 1mr4 s LYS 45 Cb -0.15 -2.44 -0.10 0.00 -2.06 0.00 0.00 37.83 33.07 1mr4 s LYS 45 CO -0.02 0.58 2.56 -0.35 0.10 0.00 0.00 175.35 178.22 1mr4 n PRO 46 N 1.33 2.41 0.00 1.78 -0.04 -1.26 0.19 135.00 139.41 1mr4 n PRO 46 Ca -0.15 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1mr4 n PRO 46 Cb 0.52 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46