#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 -3.66 -3.08 2.89 -0.58 0.17 -4.67 120.64 111.71 1mr4 n GLU 2 Ca 0.00 0.68 -0.39 0.00 -0.42 0.00 0.00 57.16 57.02 1mr4 n GLU 2 Cb 0.00 -5.04 -0.05 0.00 -0.57 0.00 0.00 31.44 25.78 1mr4 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mr4 s LYS 4 N 0.02 4.00 -0.15 0.00 2.36 -1.26 -1.22 119.74 123.49 1mr4 s LYS 4 Ca 0.35 0.65 -0.10 0.00 -2.55 0.00 0.00 55.97 54.32 1mr4 s LYS 4 Cb -0.19 -3.72 0.05 0.00 -1.05 0.00 0.00 37.83 32.92 1mr4 s LYS 4 CO 0.20 -0.66 0.38 0.99 1.55 0.00 0.00 175.35 177.81 1mr4 s THR 5 N 2.96 -0.02 0.27 3.43 2.01 0.53 -4.98 115.64 119.85 1mr4 s THR 5 Ca 0.33 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 1mr4 s THR 5 Cb -0.14 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 1mr4 s THR 5 CO 0.12 0.03 1.22 -1.83 -0.69 0.00 0.00 174.62 173.46 1mr4 s GLU 6 N 1.01 4.48 0.14 4.92 1.03 -1.26 -1.61 118.70 127.41 1mr4 s GLU 6 Ca -0.07 1.99 -0.31 0.00 0.03 0.00 0.00 54.97 56.62 1mr4 s GLU 6 Cb -0.07 -3.16 -0.09 0.00 -0.80 0.00 0.00 34.13 30.01 1mr4 s GLU 6 CO -0.08 -0.04 1.52 0.45 -1.33 0.00 0.00 175.26 175.78 1mr4 s SER 7 N -0.42 6.66 0.06 0.83 0.15 -1.19 -4.88 113.70 114.92 1mr4 s SER 7 Ca 0.49 2.51 -0.07 0.00 0.70 0.00 0.00 55.95 59.58 1mr4 s SER 7 Cb -0.35 -2.59 -0.30 0.00 -1.71 0.00 0.00 66.02 61.07 1mr4 s SER 7 CO 0.44 -0.78 1.08 -1.13 1.20 0.00 0.00 173.24 174.05 1mr4 h ASN 8 N 6.97 0.51 0.98 5.45 -1.24 -1.95 -3.26 115.58 123.04 1mr4 h ASN 8 Ca -0.42 -0.56 -0.05 0.00 0.71 0.00 0.00 56.30 55.98 1mr4 h ASN 8 Cb 1.20 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.08 1mr4 h ASN 8 CO 0.90 1.44 -0.23 0.71 -1.29 0.00 0.00 177.43 178.96 1mr4 h THR 9 N 0.09 0.55 -2.69 -3.57 1.35 -1.92 -3.45 112.91 103.27 1mr4 h THR 9 Ca -0.17 -1.17 -0.53 0.00 -0.55 0.00 0.00 66.41 63.99 1mr4 h THR 9 Cb 2.02 1.80 0.06 0.00 -1.73 0.00 0.00 68.15 70.31 1mr4 h THR 9 CO 0.21 0.23 0.95 0.33 -0.25 0.00 0.00 175.52 176.99 1mr4 n PHE 10 N -3.37 2.68 -0.18 4.73 7.35 -1.23 -4.82 117.46 122.63 1mr4 n PHE 10 Ca 0.00 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 56.78 1mr4 n PHE 10 Cb 0.45 -2.64 -0.02 0.00 0.35 0.00 0.00 39.48 37.61 1mr4 n PHE 10 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1mr4 n PRO 11 N 3.56 0.39 0.00 -7.13 -0.02 -1.26 -4.86 135.00 125.69 1mr4 n PRO 11 Ca 0.15 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1mr4 n PRO 11 Cb 0.34 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 3.10 2.64 3.64 -1.23 0.00 -1.26 -4.85 105.19 107.23 1mr4 n GLY 12 Ca 0.08 -0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 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 0.87 -2.80 -0.61 5.41 -1.26 -4.56 119.36 116.41 1mr4 n ILE 13 Ca 0.00 -0.22 -0.41 0.00 1.00 0.00 0.00 62.75 63.12 1mr4 n ILE 13 Cb 0.00 -1.28 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 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 3.07 1.52 -3.14 0.00 -0.00 -1.26 -4.79 119.36 114.76 1mr4 n ILE 15 Ca 0.02 -0.26 -0.00 0.00 -0.00 0.00 0.00 62.75 62.51 1mr4 n ILE 15 Cb 0.50 -1.99 0.00 0.00 -0.00 0.00 0.00 39.64 38.15 1mr4 n ILE 15 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1mr4 n THR 16 N -4.29 0.00 0.02 1.39 -2.24 -1.26 -5.08 114.28 102.82 1mr4 n THR 16 Ca -0.45 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1mr4 n THR 16 Cb 0.80 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.96 1mr4 n THR 16 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mr4 h LYS 17 N 0.00 -0.10 -0.35 -0.78 1.63 -1.98 -3.14 116.57 111.85 1mr4 h LYS 17 Ca -0.01 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1mr4 h LYS 17 Cb 0.03 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 1mr4 h LYS 17 CO 0.01 0.38 -0.37 -1.35 -3.45 0.00 0.00 179.45 174.66 1mr4 h PRO 18 N -0.64 -0.30 -0.73 1.90 0.11 -1.98 0.45 132.00 130.81 1mr4 h PRO 18 Ca -0.01 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1mr4 h PRO 18 Cb 0.52 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 1mr4 h PRO 18 CO 0.02 -0.20 0.29 -1.00 -0.21 0.00 0.00 178.00 176.90 1mr4 h PRO 19 N -0.32 1.08 0.14 1.05 0.13 -2.00 -0.89 132.00 131.20 1mr4 h PRO 19 Ca 0.14 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1mr4 h PRO 19 Cb 0.57 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1mr4 h PRO 19 CO -0.52 0.89 -0.07 0.00 -0.23 0.00 0.00 178.00 178.07 1mr4 h ARG 21 N -0.29 0.94 -0.53 0.00 1.12 0.01 -1.84 114.38 113.79 1mr4 h ARG 21 Ca -0.02 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 58.75 1mr4 h ARG 21 Cb 0.23 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1mr4 h ARG 21 CO 0.03 0.62 0.15 -0.22 -3.11 0.00 0.00 179.97 177.44 1mr4 h LYS 22 N 0.96 0.83 -0.26 0.20 1.63 -0.86 -2.51 116.57 116.56 1mr4 h LYS 22 Ca 0.41 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1mr4 h LYS 22 Cb 0.28 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1mr4 h LYS 22 CO -0.21 0.78 0.15 0.00 -3.45 0.00 0.00 179.45 176.72 1mr4 h ALA 23 N 1.02 0.33 -0.80 5.00 0.00 -0.38 -1.61 119.26 122.82 1mr4 h ALA 23 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1mr4 h ALA 23 Cb 0.30 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1mr4 h ALA 23 CO -0.00 -0.16 0.47 0.00 0.00 0.00 0.00 179.25 179.56 1mr4 h ILE 25 N 0.84 1.27 -0.52 0.00 2.04 -1.17 -2.40 117.51 117.56 1mr4 h ILE 25 Ca 0.36 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1mr4 h ILE 25 Cb 0.23 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1mr4 h ILE 25 CO -0.20 0.44 0.13 0.28 0.00 0.00 0.00 178.15 178.80 1mr4 h SER 26 N 0.66 0.74 0.00 1.72 0.02 -0.58 -3.42 113.55 112.69 1mr4 h SER 26 Ca 0.09 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1mr4 h SER 26 Cb 0.72 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1mr4 h SER 26 CO 0.06 0.73 0.00 -0.62 -1.14 0.00 0.00 176.83 175.85 1mr4 n GLU 27 N -4.28 0.00 -2.72 3.45 1.02 -0.95 -4.99 120.64 112.17 1mr4 n GLU 27 Ca 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1mr4 n GLU 27 Cb 0.22 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.69 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 1.33 0.00 3.49 5.02 -1.24 -5.07 118.16 121.69 1mr4 n LYS 28 Ca 0.00 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1mr4 n LYS 28 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.36 0.00 0.00 2.13 3.01 -0.91 -4.56 117.46 116.77 1mr4 n PHE 29 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1mr4 n PHE 29 Cb 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 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 -4.44 4.37 5.66 -0.38 -4.55 114.28 114.94 1mr4 n THR 30 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1mr4 n THR 30 Cb 0.00 -0.01 -0.08 0.00 -1.55 0.00 0.00 70.33 68.69 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 -2.08 0.61 -3.68 1.09 -0.08 -1.04 -4.59 116.55 106.78 1mr4 n ASP 31 Ca 0.00 -3.23 -0.03 0.00 -1.51 0.00 0.00 54.79 50.02 1mr4 n ASP 31 Cb 0.00 1.27 -0.01 0.00 2.34 0.00 0.00 41.12 44.71 1mr4 n ASP 31 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mr4 s GLY 32 N -3.51 -0.31 -0.02 0.27 0.00 -1.26 -0.39 107.32 102.09 1mr4 s GLY 32 Ca 0.27 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 45.18 1mr4 s GLY 32 CO 0.19 0.11 0.69 -2.38 0.00 0.00 0.00 173.10 171.71 1mr4 s HIS 33 N -3.00 -0.61 -0.01 1.90 -3.43 0.44 -4.66 115.29 105.92 1mr4 s HIS 33 Ca 0.12 0.94 -0.23 0.00 -0.80 0.00 0.00 55.06 55.08 1mr4 s HIS 33 Cb 0.00 0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 31.55 1mr4 s HIS 33 CO -0.01 -0.63 0.69 0.00 -2.00 0.00 0.00 174.74 172.78 1mr4 s SER 35 N 0.20 6.83 -0.11 0.00 0.15 -1.09 -4.88 113.70 114.82 1mr4 s SER 35 Ca 0.36 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.43 1mr4 s SER 35 Cb -0.19 -2.60 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1mr4 s SER 35 CO 0.19 -0.59 1.44 0.29 1.20 0.00 0.00 173.24 175.77 1mr4 n LYS 36 N 2.99 1.28 0.00 5.44 5.02 -1.26 -3.42 118.16 128.21 1mr4 n LYS 36 Ca 0.08 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1mr4 n LYS 36 Cb 0.42 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.42 0.00 -4.86 -0.18 2.08 -1.26 -5.10 119.36 110.47 1mr4 n ILE 37 Ca 0.12 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.11 1mr4 n ILE 37 Cb 0.68 -0.16 -0.13 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 -4.23 2.78 -1.43 1.39 1.43 -1.22 -5.03 118.68 112.37 1mr4 s LEU 38 Ca 0.00 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1mr4 s LEU 38 Cb 0.00 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1mr4 s LEU 38 CO 0.00 0.33 2.45 -2.11 0.23 0.00 0.00 176.35 177.25 1mr4 n ARG 39 N 2.40 3.88 -4.17 1.70 1.85 -1.26 -3.33 116.66 117.72 1mr4 n ARG 39 Ca -0.17 -2.95 -0.16 0.00 -1.00 0.00 0.00 57.85 53.57 1mr4 n ARG 39 Cb 0.52 -2.84 -0.13 0.00 -1.05 0.00 0.00 32.46 28.97 1mr4 n ARG 39 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1mr4 s ARG 40 N 0.82 0.63 -0.39 2.89 3.52 -1.26 -0.80 118.95 124.35 1mr4 s ARG 40 Ca 0.55 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 1mr4 s ARG 40 Cb 0.16 -0.52 0.02 0.00 -1.56 0.00 0.00 34.95 33.05 1mr4 s ARG 40 CO -0.06 0.12 1.10 0.00 -0.81 0.00 0.00 175.30 175.64 1mr4 s LEU 42 N 4.01 5.72 0.30 0.00 1.02 0.12 -3.16 118.68 126.69 1mr4 s LEU 42 Ca 0.46 -1.58 -0.10 0.00 0.02 0.00 0.00 54.13 52.93 1mr4 s LEU 42 Cb -0.10 -2.26 -0.07 0.00 0.02 0.00 0.00 46.19 43.78 1mr4 s LEU 42 CO 0.23 -1.01 0.64 0.00 0.02 0.00 0.00 176.35 176.23 1mr4 s THR 44 N -2.03 1.80 0.02 0.00 -4.23 0.47 -0.34 115.64 111.33 1mr4 s THR 44 Ca 0.49 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 1mr4 s THR 44 Cb -0.11 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 1mr4 s THR 44 CO 0.24 0.50 -0.22 -1.59 -0.54 0.00 0.00 174.62 173.01 1mr4 s LYS 45 N 0.55 2.04 -0.73 3.99 -2.85 -0.36 -1.25 119.74 121.14 1mr4 s LYS 45 Ca -0.15 -0.98 -0.13 0.00 -1.00 0.00 0.00 55.97 53.71 1mr4 s LYS 45 Cb -0.17 -2.11 -0.11 0.00 -2.06 0.00 0.00 37.83 33.38 1mr4 s LYS 45 CO 0.05 0.55 1.91 -2.30 0.10 0.00 0.00 175.35 175.66 1mr4 n PRO 46 N 1.91 1.57 0.00 1.78 -0.02 -1.26 0.45 135.00 139.42 1mr4 n PRO 46 Ca -0.16 -1.51 0.07 0.00 -2.02 0.00 0.00 63.50 59.88 1mr4 n PRO 46 Cb 0.52 -2.61 0.44 0.00 -0.02 0.00 0.00 33.50 31.84 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48