#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 -3.16 -3.09 5.56 -0.58 0.19 -4.72 120.64 114.83 1mr4 n GLU 2 Ca 0.00 0.67 -0.38 0.00 -0.42 0.00 0.00 57.16 57.03 1mr4 n GLU 2 Cb 0.00 -4.98 -0.06 0.00 -0.57 0.00 0.00 31.44 25.83 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 -1.33 4.36 -0.07 0.00 1.02 -1.26 -1.04 119.74 121.41 1mr4 s LYS 4 Ca 0.35 0.89 -0.15 0.00 0.02 0.00 0.00 55.97 57.08 1mr4 s LYS 4 Cb -0.21 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1mr4 s LYS 4 CO 0.23 -0.11 0.35 0.99 -0.92 0.00 0.00 175.35 175.90 1mr4 s THR 5 N 1.39 0.03 0.28 2.17 2.01 -0.52 -5.02 115.64 115.99 1mr4 s THR 5 Ca 0.37 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1mr4 s THR 5 Cb -0.17 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 71.63 1mr4 s THR 5 CO 0.15 -0.14 1.57 -0.70 -0.69 0.00 0.00 174.62 174.81 1mr4 s GLU 6 N -0.67 4.15 -0.51 4.92 2.12 -1.26 -2.20 118.70 125.24 1mr4 s GLU 6 Ca -0.08 2.53 -0.27 0.00 0.36 0.00 0.00 54.97 57.51 1mr4 s GLU 6 Cb -0.04 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1mr4 s GLU 6 CO 0.03 -0.59 2.01 -1.54 -0.54 0.00 0.00 175.26 174.63 1mr4 s SER 7 N 0.48 5.18 -0.44 -1.70 1.04 -1.15 -4.83 113.70 112.27 1mr4 s SER 7 Ca 0.63 0.79 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 1mr4 s SER 7 Cb -0.47 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.28 1mr4 s SER 7 CO 0.47 -2.37 2.46 -3.20 0.98 0.00 0.00 173.24 171.58 1mr4 n ASN 8 N 13.07 6.59 0.00 7.02 2.85 -1.26 -3.56 115.26 139.97 1mr4 n ASN 8 Ca 0.26 -3.22 0.00 0.00 -0.11 0.00 0.00 54.58 51.50 1mr4 n ASN 8 Cb 0.51 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 40.38 1mr4 n ASN 8 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1mr4 n THR 9 N 0.54 0.00 -2.11 -0.44 -1.04 -1.26 -4.99 114.28 104.97 1mr4 n THR 9 Ca 0.44 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.04 1mr4 n THR 9 Cb 0.55 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 1mr4 n THR 9 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1mr4 s PHE 10 N -1.00 3.12 0.37 -1.42 5.36 -1.23 -4.93 117.98 118.25 1mr4 s PHE 10 Ca 0.00 1.17 0.08 0.00 -0.96 0.00 0.00 56.93 57.22 1mr4 s PHE 10 Cb 0.00 -3.71 0.81 0.00 -0.34 0.00 0.00 43.02 39.78 1mr4 s PHE 10 CO 0.00 -2.22 1.94 -1.00 -1.46 0.00 0.00 175.22 172.48 1mr4 h PRO 11 N 4.87 0.66 0.00 10.12 0.13 -1.98 -3.48 132.00 142.32 1mr4 h PRO 11 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1mr4 h PRO 11 Cb 1.22 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1mr4 h PRO 11 CO 0.75 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 1mr4 n GLY 12 N -1.46 -0.56 3.71 1.56 0.00 -1.26 -5.14 105.19 102.04 1mr4 n GLY 12 Ca 0.12 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 2.03 -1.76 -0.61 2.08 -1.26 -4.47 119.36 115.37 1mr4 n ILE 13 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1mr4 n ILE 13 Cb 0.00 -1.61 -0.03 0.00 -0.75 0.00 0.00 39.64 37.26 1mr4 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mr4 n ILE 15 N 3.64 0.92 -3.83 0.00 2.08 -1.26 -4.90 119.36 116.00 1mr4 n ILE 15 Ca 0.14 -0.24 -0.07 0.00 0.56 0.00 0.00 62.75 63.14 1mr4 n ILE 15 Cb 0.36 -1.68 -0.01 0.00 -0.75 0.00 0.00 39.64 37.56 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 -2.31 0.00 0.00 1.39 -4.23 -1.26 -5.08 115.64 104.15 1mr4 s THR 16 Ca -0.23 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.11 1mr4 s THR 16 Cb 0.09 -2.18 -0.18 0.00 1.34 0.00 0.00 72.50 71.57 1mr4 s THR 16 CO 0.30 0.00 1.30 0.50 -0.54 0.00 0.00 174.62 176.18 1mr4 h LYS 17 N 2.00 0.13 -0.77 3.99 3.11 -1.99 -3.25 116.57 119.80 1mr4 h LYS 17 Ca -0.22 -0.07 0.14 0.00 -2.81 0.00 0.00 60.65 57.69 1mr4 h LYS 17 Cb 1.25 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.34 1mr4 h LYS 17 CO 0.27 0.58 -0.29 -1.35 -2.81 0.00 0.00 179.45 175.84 1mr4 h PRO 18 N -0.31 -0.06 -0.82 1.90 0.11 -1.98 0.27 132.00 131.11 1mr4 h PRO 18 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1mr4 h PRO 18 Cb 0.55 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 1mr4 h PRO 18 CO 0.01 -0.04 0.34 -1.35 -0.21 0.00 0.00 178.00 176.76 1mr4 h PRO 19 N -0.06 1.21 -0.50 1.05 0.11 -2.00 -2.55 132.00 129.26 1mr4 h PRO 19 Ca 0.32 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1mr4 h PRO 19 Cb 0.58 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1mr4 h PRO 19 CO -0.81 0.96 0.04 0.00 -0.21 0.00 0.00 178.00 177.99 1mr4 h ARG 21 N 0.76 -0.75 -0.04 0.00 1.12 -0.10 -1.85 114.38 113.52 1mr4 h ARG 21 Ca 0.16 0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 59.05 1mr4 h ARG 21 Cb 0.40 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1mr4 h ARG 21 CO 0.01 -0.50 -0.12 1.57 -3.11 0.00 0.00 179.97 177.82 1mr4 h LYS 22 N -0.78 0.05 -0.21 0.20 -0.00 -1.56 -2.03 116.57 112.23 1mr4 h LYS 22 Ca -0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.59 1mr4 h LYS 22 Cb 0.70 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.91 1mr4 h LYS 22 CO -0.10 0.17 0.11 0.00 -0.00 0.00 0.00 179.45 179.64 1mr4 h ALA 23 N 1.83 0.27 -0.46 0.07 0.00 -1.16 0.78 119.26 120.60 1mr4 h ALA 23 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1mr4 h ALA 23 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1mr4 h ALA 23 CO 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.12 1mr4 h ILE 25 N 0.69 1.29 -0.67 0.00 2.04 -0.97 -2.77 117.51 117.12 1mr4 h ILE 25 Ca 0.14 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 1mr4 h ILE 25 Cb 0.39 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1mr4 h ILE 25 CO 0.01 0.45 0.21 0.28 0.00 0.00 0.00 178.15 179.10 1mr4 h SER 26 N 0.37 0.96 -2.50 1.72 0.02 -0.41 -3.44 113.55 110.27 1mr4 h SER 26 Ca 0.04 -0.17 -0.47 0.00 -0.84 0.00 0.00 61.79 60.35 1mr4 h SER 26 Cb 0.80 -0.25 0.11 0.00 0.14 0.00 0.00 62.40 63.20 1mr4 h SER 26 CO 0.06 0.90 0.20 -0.70 -1.14 0.00 0.00 176.83 176.15 1mr4 s GLU 27 N -5.35 1.24 -0.56 3.45 -6.30 -1.01 -4.93 118.70 105.24 1mr4 s GLU 27 Ca -0.11 -1.03 -0.06 0.00 -2.50 0.00 0.00 54.97 51.28 1mr4 s GLU 27 Cb 0.15 -2.19 -0.13 0.00 0.00 0.00 0.00 34.13 31.96 1mr4 s GLU 27 CO 0.83 -1.82 2.55 0.36 0.02 0.00 0.00 175.26 177.20 1mr4 n LYS 28 N -3.14 2.00 0.00 4.30 2.85 -1.26 -4.66 118.16 118.24 1mr4 n LYS 28 Ca 0.16 -1.19 0.00 0.00 -1.05 0.00 0.00 58.31 56.24 1mr4 n LYS 28 Cb 0.60 -2.20 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1mr4 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1mr4 n PHE 29 N 3.30 0.00 0.00 5.58 3.01 -1.15 -4.60 117.46 123.60 1mr4 n PHE 29 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.89 1mr4 n PHE 29 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 -4.31 4.37 5.66 -0.94 -4.46 114.28 114.60 1mr4 n THR 30 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1mr4 n THR 30 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.21 1.81 0.16 1.09 -1.08 -1.15 -4.46 116.67 111.83 1mr4 s ASP 31 Ca 0.00 -1.75 -0.12 0.00 -0.52 0.00 0.00 52.55 50.16 1mr4 s ASP 31 Cb 0.00 0.56 0.04 0.00 -1.46 0.00 0.00 42.92 42.06 1mr4 s ASP 31 CO 0.00 -1.05 0.58 0.61 0.52 0.00 0.00 175.17 175.83 1mr4 n GLY 32 N -0.66 1.06 0.00 2.66 0.00 -1.26 -0.81 105.19 106.18 1mr4 n GLY 32 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1mr4 n GLY 32 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mr4 n HIS 33 N -0.40 0.00 -3.03 1.61 1.44 -0.18 -4.84 115.22 109.81 1mr4 n HIS 33 Ca -0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 1mr4 n HIS 33 Cb 0.36 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.42 1mr4 n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mr4 s SER 35 N 0.97 6.84 -0.15 0.00 0.15 -1.08 -4.90 113.70 115.53 1mr4 s SER 35 Ca 0.35 2.54 -0.03 0.00 0.70 0.00 0.00 55.95 59.52 1mr4 s SER 35 Cb -0.17 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.49 1mr4 s SER 35 CO 0.15 -0.53 2.62 0.29 1.20 0.00 0.00 173.24 176.97 1mr4 n LYS 36 N 1.77 1.71 0.00 5.44 5.02 -1.26 -3.14 118.16 127.70 1mr4 n LYS 36 Ca 0.03 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.28 1mr4 n LYS 36 Cb 0.42 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.44 0.00 -4.78 -0.18 2.08 -1.26 -5.09 119.36 111.57 1mr4 n ILE 37 Ca 0.28 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.34 1mr4 n ILE 37 Cb 0.65 -0.20 -0.16 0.00 -0.75 0.00 0.00 39.64 39.18 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 -4.21 1.93 -1.41 1.39 1.43 -1.19 -5.05 118.68 111.57 1mr4 s LEU 38 Ca 0.00 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1mr4 s LEU 38 Cb 0.00 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.39 1mr4 s LEU 38 CO 0.00 0.16 2.22 -1.14 0.23 0.00 0.00 176.35 177.81 1mr4 n ARG 39 N 3.05 3.34 -4.04 1.70 0.63 -1.26 -3.52 116.66 116.56 1mr4 n ARG 39 Ca -0.17 -2.92 -0.08 0.00 -0.92 0.00 0.00 57.85 53.76 1mr4 n ARG 39 Cb 0.53 -3.06 -0.11 0.00 0.45 0.00 0.00 32.46 30.28 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 1.83 0.46 -0.18 -0.14 0.52 -1.26 -0.39 118.95 119.80 1mr4 s ARG 40 Ca 0.48 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 1mr4 s ARG 40 Cb 0.13 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 1mr4 s ARG 40 CO -0.06 -0.08 1.74 0.00 0.02 0.00 0.00 175.30 176.93 1mr4 s LEU 42 N 5.42 5.17 0.22 0.00 2.96 0.28 -2.95 118.68 129.77 1mr4 s LEU 42 Ca 0.77 -1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 1mr4 s LEU 42 Cb -0.29 -2.04 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 1mr4 s LEU 42 CO 0.31 -0.53 0.62 0.00 -1.32 0.00 0.00 176.35 175.43 1mr4 s THR 44 N -1.68 3.10 -0.01 0.00 -4.23 0.01 -1.43 115.64 111.39 1mr4 s THR 44 Ca 0.45 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1mr4 s THR 44 Cb -0.13 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1mr4 s THR 44 CO 0.20 0.52 -0.17 -1.59 -0.54 0.00 0.00 174.62 173.04 1mr4 s LYS 45 N 0.37 2.31 -0.74 3.99 -2.85 -0.21 -2.20 119.74 120.41 1mr4 s LYS 45 Ca -0.10 -0.82 -0.15 0.00 -1.00 0.00 0.00 55.97 53.90 1mr4 s LYS 45 Cb -0.16 -2.28 -0.12 0.00 -2.06 0.00 0.00 37.83 33.21 1mr4 s LYS 45 CO 0.05 0.59 1.92 -2.30 0.10 0.00 0.00 175.35 175.71 1mr4 n PRO 46 N 2.03 1.55 0.00 1.78 -0.02 -1.26 0.52 135.00 139.61 1mr4 n PRO 46 Ca -0.17 -1.57 0.10 0.00 -2.02 0.00 0.00 63.50 59.85 1mr4 n PRO 46 Cb 0.52 -2.66 0.62 0.00 -0.02 0.00 0.00 33.50 31.96 1mr4 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48