#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xa6 h GLU 100 N 0.00 0.00 -0.45 0.54 5.08 -2.05 0.24 114.58 117.95 2xa6 h GLU 100 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2xa6 h GLU 100 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2xa6 h GLU 100 CO 0.00 0.00 0.24 -0.97 -1.00 0.00 0.00 179.01 177.28 2xa6 h ASN 101 N 0.00 0.54 0.03 1.42 -0.00 -2.01 -1.70 115.58 113.86 2xa6 h ASN 101 Ca 0.02 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.30 56.15 2xa6 h ASN 101 Cb 0.08 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.23 2xa6 h ASN 101 CO -0.00 0.45 -2.10 0.29 -0.00 0.00 0.00 177.43 176.06 2xa6 n LYS 102 N -4.42 0.67 0.03 6.67 5.02 -0.51 -4.24 118.16 121.38 2xa6 n LYS 102 Ca 0.04 -0.12 0.03 0.00 -2.02 0.00 0.00 58.31 56.24 2xa6 n LYS 102 Cb 0.10 -1.53 0.41 0.00 -0.02 0.00 0.00 35.03 33.99 2xa6 n LYS 102 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2xa6 h TYR 103 N 0.00 0.46 0.49 2.13 3.20 -0.28 -3.16 116.97 119.82 2xa6 h TYR 103 Ca -0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 2xa6 h TYR 103 Cb 1.43 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.56 2xa6 h TYR 103 CO 0.00 0.35 -0.23 1.25 -1.64 0.00 0.00 178.16 177.88 2xa6 h LEU 104 N 0.48 -0.56 -1.92 2.82 5.85 -1.49 -2.57 115.31 117.92 2xa6 h LEU 104 Ca 0.12 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2xa6 h LEU 104 Cb 0.06 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2xa6 h LEU 104 CO -0.02 -0.26 -0.08 1.55 -0.34 0.00 0.00 178.44 179.29 2xa6 h PRO 105 N -0.85 0.00 -0.39 5.25 0.13 -1.79 -1.15 132.00 133.19 2xa6 h PRO 105 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2xa6 h PRO 105 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2xa6 h PRO 105 CO 0.11 0.08 0.22 0.93 -0.23 0.00 0.00 178.00 179.11 2xa6 h GLU 106 N 0.00 0.54 -0.37 0.86 4.39 -1.50 -1.46 114.58 117.04 2xa6 h GLU 106 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2xa6 h GLU 106 Cb 0.15 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2xa6 h GLU 106 CO 0.01 0.43 0.16 -0.07 -1.16 0.00 0.00 179.01 178.38 2xa6 h LEU 107 N 0.51 0.50 -1.06 1.33 3.38 -0.82 -1.75 115.31 117.40 2xa6 h LEU 107 Ca 0.14 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2xa6 h LEU 107 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2xa6 h LEU 107 CO -0.02 0.51 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 2xa6 h MET 108 N 0.46 0.63 -0.14 1.13 -0.00 -1.30 0.38 114.93 116.10 2xa6 h MET 108 Ca 0.13 -0.16 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 2xa6 h MET 108 Cb 0.16 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2xa6 h MET 108 CO -0.01 0.67 -0.11 0.00 -0.00 0.00 0.00 176.91 177.46 2xa6 h ALA 109 N 1.38 0.21 -0.61 -3.00 0.00 -1.02 0.02 119.26 116.24 2xa6 h ALA 109 Ca 0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2xa6 h ALA 109 Cb 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2xa6 h ALA 109 CO 0.02 0.05 0.11 0.93 0.00 0.00 0.00 179.25 180.36 2xa6 h GLU 110 N -0.04 0.98 0.08 0.00 5.08 -1.17 -1.82 114.58 117.69 2xa6 h GLU 110 Ca 0.03 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2xa6 h GLU 110 Cb 0.62 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2xa6 h GLU 110 CO 0.03 0.90 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.53 2xa6 h LYS 111 N 0.93 -0.34 0.00 2.33 3.64 -0.06 0.16 116.57 123.23 2xa6 h LYS 111 Ca 0.19 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2xa6 h LYS 111 Cb 0.39 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2xa6 h LYS 111 CO 0.01 -0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 176.71 2xa6 n ASP 112 N -5.32 0.31 -0.00 4.20 8.00 -0.02 -2.74 116.55 120.97 2xa6 n ASP 112 Ca -0.06 0.54 0.09 0.00 0.71 0.00 0.00 54.79 56.07 2xa6 n ASP 112 Cb 0.23 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 40.60 2xa6 n ASP 112 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2xa6 n SER 113 N -1.80 0.82 -4.78 -2.24 7.64 -0.70 -4.97 113.62 107.59 2xa6 n SER 113 Ca 0.06 -0.69 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 2xa6 n SER 113 Cb 0.33 1.23 -0.06 0.00 -1.01 0.00 0.00 64.21 64.69 2xa6 n SER 113 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2xa6 s LEU 114 N -3.24 4.37 0.12 -3.43 2.96 0.54 -5.02 118.68 114.99 2xa6 s LEU 114 Ca 0.03 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.44 2xa6 s LEU 114 Cb 0.13 -3.92 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 2xa6 s LEU 114 CO 0.76 -0.03 1.08 -0.62 -1.32 0.00 0.00 176.35 176.22 2xa6 s ASP 115 N -1.57 7.28 0.43 3.68 -1.08 -1.26 -4.93 116.67 119.22 2xa6 s ASP 115 Ca 0.48 1.97 0.30 0.00 -0.52 0.00 0.00 52.55 54.78 2xa6 s ASP 115 Cb -0.19 -2.59 1.48 0.00 -1.46 0.00 0.00 42.92 40.16 2xa6 s ASP 115 CO 0.24 -0.25 1.90 1.55 0.52 0.00 0.00 175.17 179.13 2xa6 h PRO 116 N 5.74 0.00 0.00 4.34 0.13 -1.95 -2.35 132.00 137.91 2xa6 h PRO 116 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2xa6 h PRO 116 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2xa6 h PRO 116 CO 0.74 0.00 -0.00 0.77 -0.23 0.00 0.00 178.00 179.28 2xa6 h SER 117 N 0.00 0.00 -2.98 1.44 0.02 -2.05 -3.28 113.55 106.70 2xa6 h SER 117 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 2xa6 h SER 117 Cb 0.15 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.47 2xa6 h SER 117 CO 0.00 0.00 0.71 -0.36 -1.14 0.00 0.00 176.83 176.04 2xa6 s PHE 118 N -4.07 3.70 0.09 3.45 0.08 -0.88 -4.90 117.98 115.44 2xa6 s PHE 118 Ca -0.04 -2.10 -0.29 0.00 0.12 0.00 0.00 56.93 54.61 2xa6 s PHE 118 Cb 0.12 -4.06 -0.13 0.00 -0.57 0.00 0.00 43.02 38.38 2xa6 s PHE 118 CO 0.44 -1.20 1.64 1.15 -0.10 0.00 0.00 175.22 177.15 2xa6 h THR 119 N 4.65 0.42 -0.32 0.64 2.02 -1.86 0.51 112.91 118.98 2xa6 h THR 119 Ca 0.20 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 2xa6 h THR 119 Cb 0.94 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2xa6 h THR 119 CO 1.04 0.00 -0.45 0.45 0.37 0.00 0.00 175.52 176.93 2xa6 h HIS 120 N -0.62 1.00 -0.86 3.16 3.86 -1.93 0.44 115.15 120.21 2xa6 h HIS 120 Ca -0.02 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2xa6 h HIS 120 Cb 0.55 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 2xa6 h HIS 120 CO -0.15 1.12 0.56 0.00 0.86 0.00 0.00 177.93 180.32 2xa6 h ALA 121 N 0.83 1.12 -0.28 2.45 0.00 -1.95 0.57 119.26 121.99 2xa6 h ALA 121 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2xa6 h ALA 121 Cb 1.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2xa6 h ALA 121 CO 0.10 0.44 -0.48 0.52 0.00 0.00 0.00 179.25 179.83 2xa6 h MET 122 N 1.11 0.76 -0.31 0.00 2.86 -0.54 -2.48 114.93 116.34 2xa6 h MET 122 Ca 0.33 -0.44 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 2xa6 h MET 122 Cb -0.05 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2xa6 h MET 122 CO -0.10 1.07 -0.23 0.37 1.06 0.00 0.00 176.91 179.08 2xa6 h GLN 123 N 0.60 0.70 -0.34 1.72 4.15 0.57 -1.53 115.11 120.97 2xa6 h GLN 123 Ca 0.03 -0.34 -0.11 0.00 0.77 0.00 0.00 58.65 59.00 2xa6 h GLN 123 Cb 1.05 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2xa6 h GLN 123 CO 0.10 0.95 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.66 2xa6 h LEU 124 N 0.45 0.67 -0.93 -2.39 3.38 0.10 0.13 115.31 116.73 2xa6 h LEU 124 Ca 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2xa6 h LEU 124 Cb 0.78 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2xa6 h LEU 124 CO 0.06 0.89 0.24 -0.07 0.09 0.00 0.00 178.44 179.64 2xa6 h LEU 125 N 0.59 0.94 -0.16 1.67 3.38 -1.40 -1.81 115.31 118.52 2xa6 h LEU 125 Ca 0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2xa6 h LEU 125 Cb 0.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2xa6 h LEU 125 CO 0.05 0.86 -0.07 0.74 0.09 0.00 0.00 178.44 180.12 2xa6 h THR 126 N 0.99 1.31 -0.37 0.22 2.02 -0.41 -2.81 112.91 113.86 2xa6 h THR 126 Ca 0.22 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2xa6 h THR 126 Cb 0.24 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2xa6 h THR 126 CO -0.01 0.33 0.17 0.00 0.37 0.00 0.00 175.52 176.37 2xa6 h ALA 127 N 0.68 0.48 -0.80 6.16 0.00 -0.64 -1.06 119.26 124.08 2xa6 h ALA 127 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2xa6 h ALA 127 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2xa6 h ALA 127 CO 0.02 0.05 0.50 1.49 0.00 0.00 0.00 179.25 181.31 2xa6 h GLU 128 N 0.46 1.08 -0.55 0.00 4.57 -1.37 -1.24 114.58 117.53 2xa6 h GLU 128 Ca 0.13 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 2xa6 h GLU 128 Cb 0.13 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2xa6 h GLU 128 CO -0.01 0.75 0.08 0.82 -1.18 0.00 0.00 179.01 179.46 2xa6 h ILE 129 N 1.10 1.26 -0.98 2.32 2.04 -1.18 -2.27 117.51 119.80 2xa6 h ILE 129 Ca 0.29 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.23 2xa6 h ILE 129 Cb -0.07 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2xa6 h ILE 129 CO -0.06 0.36 0.64 -0.33 0.00 0.00 0.00 178.15 178.76 2xa6 h GLU 130 N 0.81 1.11 -0.35 2.37 5.08 -0.28 0.17 114.58 123.49 2xa6 h GLU 130 Ca 0.17 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2xa6 h GLU 130 Cb 0.43 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2xa6 h GLU 130 CO 0.01 0.74 0.04 0.87 -1.00 0.00 0.00 179.01 179.67 2xa6 h LYS 131 N 1.15 0.59 -0.27 2.33 1.57 -0.82 -0.21 116.57 120.91 2xa6 h LYS 131 Ca 0.42 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.89 2xa6 h LYS 131 Cb 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2xa6 h LYS 131 CO -0.16 0.68 -0.40 0.82 -0.57 0.00 0.00 179.45 179.81 2xa6 h ILE 132 N 0.42 1.30 -0.56 1.86 2.04 -0.96 -2.67 117.51 118.94 2xa6 h ILE 132 Ca 0.10 -1.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.30 2xa6 h ILE 132 Cb 0.38 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2xa6 h ILE 132 CO 0.01 0.51 0.06 1.56 0.00 0.00 0.00 178.15 180.29 2xa6 h GLN 133 N 0.50 0.91 0.00 2.37 1.08 -0.59 -2.67 115.11 116.71 2xa6 h GLN 133 Ca 0.03 -0.23 -0.12 0.00 -1.45 0.00 0.00 58.65 56.88 2xa6 h GLN 133 Cb 0.99 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2xa6 h GLN 133 CO 0.09 0.87 -0.55 1.57 -0.95 0.00 0.00 178.83 179.86 2xa6 h LYS 134 N 0.86 0.00 0.00 1.46 2.10 -1.05 -3.51 116.57 116.43 2xa6 h LYS 134 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2xa6 h LYS 134 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2xa6 h LYS 134 CO 0.01 0.55 0.00 0.41 -2.00 0.00 0.00 179.45 178.43