#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 0.00 -4.40 2.89 0.00 0.83 -4.54 120.64 115.42 1mr4 n GLU 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1mr4 n GLU 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 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 1.00 4.19 -0.20 0.00 -0.14 -1.26 -0.87 119.74 122.46 1mr4 s LYS 4 Ca -0.02 0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 55.09 1mr4 s LYS 4 Cb -0.15 -3.60 0.06 0.00 -1.68 0.00 0.00 37.83 32.47 1mr4 s LYS 4 CO -0.04 -0.29 0.50 0.99 -0.76 0.00 0.00 175.35 175.74 1mr4 s THR 5 N 2.09 -0.01 0.50 2.17 2.01 0.16 -4.98 115.64 117.58 1mr4 s THR 5 Ca 0.29 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1mr4 s THR 5 Cb -0.16 -0.72 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 1mr4 s THR 5 CO 0.10 0.02 1.28 -1.83 -0.69 0.00 0.00 174.62 173.50 1mr4 s GLU 6 N 1.26 3.46 0.22 4.92 1.03 -1.26 -0.59 118.70 127.74 1mr4 s GLU 6 Ca -0.08 2.05 -0.30 0.00 0.03 0.00 0.00 54.97 56.67 1mr4 s GLU 6 Cb -0.07 -2.37 -0.09 0.00 -0.80 0.00 0.00 34.13 30.81 1mr4 s GLU 6 CO -0.12 -0.87 1.32 0.45 -1.33 0.00 0.00 175.26 174.70 1mr4 s SER 7 N -1.08 6.87 -0.01 0.83 0.15 -0.37 -4.79 113.70 115.29 1mr4 s SER 7 Ca 0.67 2.45 0.08 0.00 0.70 0.00 0.00 55.95 59.85 1mr4 s SER 7 Cb -0.36 -2.61 -0.24 0.00 -1.71 0.00 0.00 66.02 61.10 1mr4 s SER 7 CO 0.43 -0.54 0.77 0.78 1.20 0.00 0.00 173.24 175.89 1mr4 h ASN 8 N 5.14 0.08 0.48 5.45 2.35 -1.92 -3.35 115.58 123.82 1mr4 h ASN 8 Ca -0.45 -0.15 -0.22 0.00 -0.55 0.00 0.00 56.30 54.92 1mr4 h ASN 8 Cb 1.22 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1mr4 h ASN 8 CO 0.76 1.13 -0.97 0.71 -1.65 0.00 0.00 177.43 177.41 1mr4 h THR 9 N 0.01 1.45 -2.44 2.81 1.35 -1.91 -3.44 112.91 110.75 1mr4 h THR 9 Ca -0.24 -2.62 -0.55 0.00 -0.55 0.00 0.00 66.41 62.44 1mr4 h THR 9 Cb 1.97 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 70.92 1mr4 h THR 9 CO 0.10 0.77 1.23 0.12 -0.25 0.00 0.00 175.52 177.49 1mr4 s PHE 10 N -3.14 1.59 -0.03 4.73 5.36 -1.26 -4.97 117.98 120.26 1mr4 s PHE 10 Ca -0.04 0.11 -0.18 0.00 -0.96 0.00 0.00 56.93 55.86 1mr4 s PHE 10 Cb 0.09 -4.05 -0.05 0.00 -0.34 0.00 0.00 43.02 38.66 1mr4 s PHE 10 CO 0.86 -4.29 0.50 -1.25 -1.46 0.00 0.00 175.22 169.57 1mr4 s PRO 11 N 4.82 4.20 2.57 10.12 0.04 -1.26 -4.94 135.00 150.55 1mr4 s PRO 11 Ca 0.84 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1mr4 s PRO 11 Cb -0.34 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1mr4 s PRO 11 CO 0.35 0.42 0.00 0.41 0.04 0.00 0.00 177.00 178.22 1mr4 n GLY 12 N 2.47 -0.68 3.86 0.56 0.00 -1.26 -4.89 105.19 105.25 1mr4 n GLY 12 Ca -0.09 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 4.83 0.14 -0.61 -1.09 -1.26 -4.91 121.20 118.30 1mr4 s ILE 13 Ca 0.00 0.66 -0.33 0.00 -2.23 0.00 0.00 60.65 58.75 1mr4 s ILE 13 Cb 0.00 -3.62 -0.13 0.00 -1.58 0.00 0.00 42.46 37.13 1mr4 s ILE 13 CO 0.00 -0.14 1.66 0.00 -1.23 0.00 0.00 174.94 175.23 1mr4 n ILE 15 N 3.82 1.41 -3.85 0.00 2.08 -1.26 -4.91 119.36 116.66 1mr4 n ILE 15 Ca 0.17 0.08 -0.10 0.00 0.56 0.00 0.00 62.75 63.46 1mr4 n ILE 15 Cb 0.31 -2.13 0.01 0.00 -0.75 0.00 0.00 39.64 37.08 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 -2.68 0.00 0.03 1.39 -4.23 -1.26 -5.09 115.64 103.80 1mr4 s THR 16 Ca -0.26 -1.09 -0.26 0.00 -1.18 0.00 0.00 61.69 58.90 1mr4 s THR 16 Cb 0.05 -2.84 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 1mr4 s THR 16 CO 0.37 0.00 1.39 0.50 -0.54 0.00 0.00 174.62 176.33 1mr4 h LYS 17 N 2.01 -0.40 -0.50 3.99 1.63 -1.98 -3.02 116.57 118.30 1mr4 h LYS 17 Ca -0.32 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.61 1mr4 h LYS 17 Cb 1.25 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.87 1mr4 h LYS 17 CO 0.40 -0.13 -0.26 -1.00 -3.45 0.00 0.00 179.45 175.01 1mr4 h PRO 18 N -0.65 -0.14 -0.50 1.90 0.13 -1.98 0.44 132.00 131.20 1mr4 h PRO 18 Ca -0.04 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1mr4 h PRO 18 Cb 0.46 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1mr4 h PRO 18 CO 0.07 -0.10 -0.01 -1.35 -0.23 0.00 0.00 178.00 176.38 1mr4 h PRO 19 N -0.15 0.88 -0.55 1.56 0.11 -2.00 -3.10 132.00 128.77 1mr4 h PRO 19 Ca 0.22 -0.29 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1mr4 h PRO 19 Cb 0.51 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1mr4 h PRO 19 CO -0.59 0.93 0.04 0.00 -0.21 0.00 0.00 178.00 178.16 1mr4 h ARG 21 N 0.82 -0.52 -0.06 0.00 2.43 -0.06 -2.65 114.38 114.35 1mr4 h ARG 21 Ca 0.16 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1mr4 h ARG 21 Cb 0.49 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1mr4 h ARG 21 CO 0.02 -0.34 -0.12 1.57 -1.51 0.00 0.00 179.97 179.59 1mr4 h LYS 22 N -0.54 0.09 -0.40 0.20 -0.00 -1.60 -2.35 116.57 111.97 1mr4 h LYS 22 Ca 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1mr4 h LYS 22 Cb 0.53 -0.01 -0.02 0.00 -0.00 0.00 0.00 32.23 32.73 1mr4 h LYS 22 CO -0.12 0.21 0.22 0.00 -0.00 0.00 0.00 179.45 179.77 1mr4 h ALA 23 N 1.80 0.52 -0.45 0.07 0.00 -1.41 -0.44 119.26 119.34 1mr4 h ALA 23 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1mr4 h ALA 23 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mr4 h ALA 23 CO 0.02 0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.46 1mr4 h ILE 25 N 0.64 1.28 -0.00 0.00 2.04 -0.86 -2.80 117.51 117.81 1mr4 h ILE 25 Ca 0.15 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1mr4 h ILE 25 Cb 0.17 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1mr4 h ILE 25 CO -0.01 0.37 -0.23 0.77 0.00 0.00 0.00 178.15 179.05 1mr4 h SER 26 N 0.37 0.00 0.00 1.72 4.64 -0.81 -3.43 113.55 116.04 1mr4 h SER 26 Ca 0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1mr4 h SER 26 Cb 0.58 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1mr4 h SER 26 CO 0.03 0.23 0.00 -0.62 -0.87 0.00 0.00 176.83 175.60 1mr4 n GLU 27 N -4.27 3.24 -3.02 4.77 1.02 -0.96 -4.99 120.64 116.43 1mr4 n GLU 27 Ca -0.02 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1mr4 n GLU 27 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.66 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 3.36 0.00 3.49 5.02 -1.25 -4.95 118.16 123.82 1mr4 n LYS 28 Ca 0.00 -4.80 0.00 0.00 -2.02 0.00 0.00 58.31 51.49 1mr4 n LYS 28 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 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 0.07 0.00 0.00 2.13 3.01 -1.07 -4.55 117.46 117.05 1mr4 n PHE 29 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.78 1mr4 n PHE 29 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 -3.89 4.37 5.66 -1.04 -4.17 114.28 115.20 1mr4 n THR 30 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1mr4 n THR 30 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 -0.26 -0.17 0.30 1.09 2.15 -1.12 -4.69 116.67 113.97 1mr4 s ASP 31 Ca 0.00 -0.73 -0.09 0.00 0.43 0.00 0.00 52.55 52.16 1mr4 s ASP 31 Cb 0.00 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 1mr4 s ASP 31 CO 0.00 -1.15 0.51 -0.83 -0.17 0.00 0.00 175.17 173.53 1mr4 s GLY 32 N -2.95 0.91 -0.01 2.66 0.00 -1.26 -0.08 107.32 106.59 1mr4 s GLY 32 Ca 0.16 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 1mr4 s GLY 32 CO 0.05 -0.75 0.88 -2.38 0.00 0.00 0.00 173.10 170.90 1mr4 s HIS 33 N -3.42 -0.36 -0.27 1.90 -3.43 0.26 -4.74 115.29 105.23 1mr4 s HIS 33 Ca 0.25 0.25 -0.23 0.00 -0.80 0.00 0.00 55.06 54.53 1mr4 s HIS 33 Cb -0.01 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1mr4 s HIS 33 CO 0.14 -0.55 0.77 0.00 -2.00 0.00 0.00 174.74 173.10 1mr4 n SER 35 N 6.03 2.50 -1.93 0.00 2.88 -1.03 -4.88 113.62 117.19 1mr4 n SER 35 Ca 0.04 1.15 -0.19 0.00 -1.33 0.00 0.00 58.87 58.53 1mr4 n SER 35 Cb 0.48 -1.48 0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1mr4 n SER 35 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mr4 n LYS 36 N 0.29 1.93 0.00 -1.46 4.76 -1.26 -3.77 118.16 118.65 1mr4 n LYS 36 Ca 0.06 -1.87 0.00 0.00 -2.87 0.00 0.00 58.31 53.63 1mr4 n LYS 36 Cb 0.38 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 -0.01 0.00 -4.24 -0.18 5.41 -1.26 -5.10 119.36 113.98 1mr4 n ILE 37 Ca 0.36 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.93 1mr4 n ILE 37 Cb 0.71 -0.25 -0.13 0.00 -0.71 0.00 0.00 39.64 39.27 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 -4.13 2.21 -1.41 1.39 1.43 -1.25 -5.05 118.68 111.86 1mr4 s LEU 38 Ca 0.00 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1mr4 s LEU 38 Cb 0.00 -0.49 0.07 0.00 0.03 0.00 0.00 46.19 45.80 1mr4 s LEU 38 CO 0.00 -0.03 2.31 -1.14 0.23 0.00 0.00 176.35 177.71 1mr4 n ARG 39 N 1.71 3.63 -4.47 1.70 0.63 -1.26 -3.70 116.66 114.90 1mr4 n ARG 39 Ca -0.19 -2.98 -0.22 0.00 -0.92 0.00 0.00 57.85 53.54 1mr4 n ARG 39 Cb 0.55 -2.94 -0.14 0.00 0.45 0.00 0.00 32.46 30.38 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 1.22 1.12 -0.72 -0.14 1.70 -1.26 -1.88 118.95 118.98 1mr4 s ARG 40 Ca 0.51 -0.82 -0.26 0.00 -0.47 0.00 0.00 55.73 54.69 1mr4 s ARG 40 Cb 0.14 -1.17 -0.05 0.00 -0.57 0.00 0.00 34.95 33.30 1mr4 s ARG 40 CO -0.06 0.29 2.02 0.00 -1.08 0.00 0.00 175.30 176.48 1mr4 s LEU 42 N 10.43 4.31 0.28 0.00 2.96 0.16 -1.24 118.68 135.58 1mr4 s LEU 42 Ca 0.75 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1mr4 s LEU 42 Cb -0.11 -2.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.82 1mr4 s LEU 42 CO 0.12 -1.21 0.65 0.00 -1.32 0.00 0.00 176.35 174.59 1mr4 s THR 44 N -1.93 3.15 0.32 0.00 -4.23 0.88 -0.66 115.64 113.17 1mr4 s THR 44 Ca 0.51 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1mr4 s THR 44 Cb -0.11 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1mr4 s THR 44 CO 0.20 0.26 0.45 -1.59 -0.54 0.00 0.00 174.62 173.40 1mr4 s LYS 45 N 1.40 3.16 0.02 3.99 -2.85 -0.05 -2.50 119.74 122.90 1mr4 s LYS 45 Ca 0.02 -0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 53.71 1mr4 s LYS 45 Cb -0.16 -2.82 -0.08 0.00 -2.06 0.00 0.00 37.83 32.70 1mr4 s LYS 45 CO -0.03 0.12 1.95 -1.25 0.10 0.00 0.00 175.35 176.23 1mr4 s PRO 46 N -4.14 4.10 0.00 1.78 0.04 -1.26 -0.12 135.00 135.40 1mr4 s PRO 46 Ca 0.43 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1mr4 s PRO 46 Cb -0.09 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1mr4 s PRO 46 CO 0.31 -1.00 0.00 0.00 0.04 0.00 0.00 177.00 176.35