#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh n ILE 91 N 0.00 0.00 0.00 -0.08 2.08 -1.26 -4.92 119.36 115.18 1mbh n ILE 91 Ca 0.00 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.44 1mbh n ILE 91 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.37 1mbh n ILE 91 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1mbh n LYS 92 N -3.71 2.34 -1.46 0.38 2.85 -1.26 -4.93 118.16 112.37 1mbh n LYS 92 Ca -0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1mbh n LYS 92 Cb 0.53 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mbh n GLY 93 N 3.49 -1.42 3.56 2.58 0.00 -1.26 -4.72 105.19 107.42 1mbh n GLY 93 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1mbh n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 94 N -1.48 2.01 -0.39 1.61 0.04 -1.26 -3.95 135.00 131.59 1mbh s PRO 94 Ca 0.62 0.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1mbh s PRO 94 Cb -0.65 -4.93 0.03 0.00 0.04 0.00 0.00 34.50 28.99 1mbh s PRO 94 CO 0.58 -4.03 0.50 0.91 0.04 0.00 0.00 177.00 175.01 1mbh n TRP 95 N 16.59 -2.97 -1.48 0.56 7.02 -1.26 -4.98 117.44 130.92 1mbh n TRP 95 Ca 0.44 1.23 -0.30 0.00 -1.02 0.00 0.00 57.50 57.85 1mbh n TRP 95 Cb 0.45 -2.99 0.11 0.00 -2.42 0.00 0.00 31.31 26.46 1mbh n TRP 95 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1mbh s THR 96 N -1.95 2.71 0.38 -0.99 -4.23 -1.25 -4.83 115.64 105.47 1mbh s THR 96 Ca 0.25 0.23 0.11 0.00 -1.18 0.00 0.00 61.69 61.10 1mbh s THR 96 Cb -0.05 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.99 1mbh s THR 96 CO 0.74 -0.30 1.87 0.11 -0.54 0.00 0.00 174.62 176.50 1mbh h LYS 97 N -1.29 0.11 -0.14 3.99 1.79 -1.98 -0.18 116.57 118.87 1mbh h LYS 97 Ca -0.49 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 57.94 1mbh h LYS 97 Cb 1.29 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1mbh h LYS 97 CO 0.59 0.37 0.04 1.49 -1.08 0.00 0.00 179.45 180.87 1mbh h GLU 98 N 0.10 0.21 -0.72 3.15 4.22 -1.99 0.78 114.58 120.34 1mbh h GLU 98 Ca 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1mbh h GLU 98 Cb 0.53 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1mbh h GLU 98 CO 0.04 0.35 0.29 1.49 -2.18 0.00 0.00 179.01 179.00 1mbh h GLU 99 N 0.04 1.07 -0.32 1.92 4.81 -1.82 -2.09 114.58 118.18 1mbh h GLU 99 Ca 0.04 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1mbh h GLU 99 Cb 0.23 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1mbh h GLU 99 CO -0.00 0.87 0.20 -0.44 -0.73 0.00 0.00 179.01 178.92 1mbh h ASP 100 N 1.02 0.38 -0.66 1.04 5.19 -0.84 -1.47 116.42 121.09 1mbh h ASP 100 Ca 0.24 -0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.69 1mbh h ASP 100 Cb 0.20 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 1mbh h ASP 100 CO -0.02 0.31 0.33 -0.61 -3.12 0.00 0.00 179.24 176.13 1mbh h GLN 101 N 0.43 0.57 -0.24 3.56 5.75 -0.49 0.23 115.11 124.92 1mbh h GLN 101 Ca 0.12 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1mbh h GLN 101 Cb -0.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1mbh h GLN 101 CO -0.02 0.38 0.13 0.00 -2.65 0.00 0.00 178.83 176.67 1mbh h ARG 102 N 0.59 0.33 0.12 1.69 3.08 -1.03 -0.92 114.38 118.24 1mbh h ARG 102 Ca 0.31 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1mbh h ARG 102 Cb 0.28 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1mbh h ARG 102 CO -0.23 0.30 -0.23 0.28 -1.07 0.00 0.00 179.97 179.01 1mbh h VAL 103 N 0.28 0.48 -0.27 2.04 2.07 -0.38 0.55 116.25 121.01 1mbh h VAL 103 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1mbh h VAL 103 Cb 0.06 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1mbh h VAL 103 CO -0.01 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.79 1mbh h ILE 104 N -0.43 0.48 0.42 4.57 2.04 -0.83 0.16 117.51 123.92 1mbh h ILE 104 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1mbh h ILE 104 Cb 0.45 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1mbh h ILE 104 CO -0.13 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.64 1mbh h GLU 105 N -0.17 -0.69 -0.90 2.37 4.57 -0.86 0.23 114.58 119.13 1mbh h GLU 105 Ca 0.15 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1mbh h GLU 105 Cb 0.40 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 1mbh h GLU 105 CO -0.37 -0.46 0.59 -0.07 -1.18 0.00 0.00 179.01 177.51 1mbh h LEU 106 N -0.72 0.92 -0.17 1.64 3.38 -0.57 0.40 115.31 120.20 1mbh h LEU 106 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1mbh h LEU 106 Cb 0.61 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1mbh h LEU 106 CO 0.01 0.60 -0.14 0.58 0.09 0.00 0.00 178.44 179.59 1mbh h VAL 107 N 1.05 1.33 -0.14 1.22 2.07 -0.43 0.73 116.25 122.09 1mbh h VAL 107 Ca 0.38 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1mbh h VAL 107 Cb 0.14 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1mbh h VAL 107 CO -0.13 0.38 -0.08 -0.61 0.02 0.00 0.00 177.57 177.14 1mbh h GLN 108 N 0.04 0.21 0.06 1.57 4.15 -0.47 0.38 115.11 121.05 1mbh h GLN 108 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1mbh h GLN 108 Cb 0.66 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1mbh h GLN 108 CO 0.04 0.30 -0.03 -0.22 -1.93 0.00 0.00 178.83 176.99 1mbh h LYS 109 N 0.20 -0.08 -0.02 1.69 3.64 -0.74 -3.40 116.57 117.86 1mbh h LYS 109 Ca 0.04 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1mbh h LYS 109 Cb 0.27 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1mbh h LYS 109 CO 0.01 -0.05 -0.30 1.88 -2.27 0.00 0.00 179.45 178.71 1mbh h TYR 110 N -0.52 0.34 0.00 1.91 0.05 -0.92 -3.51 116.97 114.33 1mbh h TYR 110 Ca -0.01 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1mbh h TYR 110 Cb 0.07 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1mbh h TYR 110 CO 0.01 0.95 0.00 0.41 -1.05 0.00 0.00 178.16 178.49 1mbh n GLY 111 N 0.94 2.97 3.47 3.88 0.00 0.13 -5.02 105.19 111.56 1mbh n GLY 111 Ca -0.09 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 1mbh n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 112 N -3.52 -1.19 -1.60 1.61 0.04 -1.26 -3.66 135.00 125.42 1mbh s PRO 112 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1mbh s PRO 112 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 1mbh s PRO 112 CO 0.00 -3.88 0.00 1.63 0.04 0.00 0.00 177.00 174.79 1mbh n LYS 113 N -5.02 -1.15 -2.24 4.56 5.02 -1.26 -4.87 118.16 113.21 1mbh n LYS 113 Ca 0.03 0.99 -0.14 0.00 -2.02 0.00 0.00 58.31 57.16 1mbh n LYS 113 Cb 0.55 -5.21 0.04 0.00 -0.02 0.00 0.00 35.03 30.38 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1mbh n ARG 114 N -2.54 2.83 0.30 1.97 1.74 -1.24 -4.85 116.66 114.87 1mbh n ARG 114 Ca -0.17 -3.87 0.16 0.00 -0.77 0.00 0.00 57.85 53.20 1mbh n ARG 114 Cb 0.55 -1.98 0.93 0.00 -1.02 0.00 0.00 32.46 30.94 1mbh n ARG 114 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1mbh h TRP 115 N 2.26 0.00 -0.46 -1.55 -0.00 -1.89 -1.02 115.95 113.30 1mbh h TRP 115 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.04 1mbh h TRP 115 Cb 1.44 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.58 1mbh h TRP 115 CO 0.71 0.03 0.20 1.03 -0.00 0.00 0.00 178.44 180.41 1mbh h SER 116 N 0.00 0.62 0.01 -3.49 0.87 -1.94 0.84 113.55 110.46 1mbh h SER 116 Ca -0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1mbh h SER 116 Cb 0.10 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1mbh h SER 116 CO 0.00 0.61 -0.00 0.58 -0.53 0.00 0.00 176.83 177.49 1mbh h VAL 117 N 0.60 1.55 -0.73 2.23 2.07 -1.68 -3.10 116.25 117.19 1mbh h VAL 117 Ca 0.15 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 66.04 1mbh h VAL 117 Cb 0.17 2.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 1mbh h VAL 117 CO -0.01 0.44 0.39 0.40 0.02 0.00 0.00 177.57 178.81 1mbh h ILE 118 N -0.75 0.91 -0.88 4.57 2.04 -1.24 -1.83 117.51 120.32 1mbh h ILE 118 Ca -0.00 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1mbh h ILE 118 Cb 0.73 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1mbh h ILE 118 CO 0.00 0.12 0.58 0.00 0.00 0.00 0.00 178.15 178.86 1mbh h ALA 119 N 1.41 1.14 0.00 1.87 0.00 -0.91 -1.09 119.26 121.68 1mbh h ALA 119 Ca 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1mbh h ALA 119 Cb 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mbh h ALA 119 CO -0.23 0.48 -0.02 0.87 0.00 0.00 0.00 179.25 180.35 1mbh h LYS 120 N 1.16 0.00 -0.00 0.00 1.57 -1.25 0.39 116.57 118.44 1mbh h LYS 120 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1mbh h LYS 120 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1mbh h LYS 120 CO -0.09 0.02 -0.71 0.72 -0.57 0.00 0.00 179.45 178.81 1mbh n HIS 121 N -3.43 0.00 -3.69 -1.35 8.25 -0.47 -4.50 115.22 110.04 1mbh n HIS 121 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1mbh n HIS 121 Cb 0.11 -0.13 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 1mbh n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 122 N -1.46 3.31 -4.60 2.41 4.77 0.13 -5.06 117.00 116.49 1mbh n LEU 122 Ca 0.05 -5.31 -0.43 0.00 -0.03 0.00 0.00 56.01 50.29 1mbh n LEU 122 Cb 0.34 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1mbh n LEU 122 CO 0.38 1.89 1.82 0.29 -1.33 0.00 0.00 177.39 180.44 1mbh n LYS 123 N 1.47 2.04 0.00 3.23 4.01 -1.24 -0.77 118.16 126.90 1mbh n LYS 123 Ca 0.24 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.64 1mbh n LYS 123 Cb 0.38 -3.16 0.00 0.00 -0.51 0.00 0.00 35.03 31.74 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mbh n GLY 124 N 5.63 0.74 3.20 0.72 0.00 -1.26 -5.05 105.19 109.17 1mbh n GLY 124 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 1mbh n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mbh s ARG 125 N 0.00 2.60 0.99 1.61 1.81 0.05 -4.93 118.95 121.08 1mbh s ARG 125 Ca 0.00 -1.98 -0.17 0.00 -1.72 0.00 0.00 55.73 51.87 1mbh s ARG 125 Cb 0.00 -3.94 0.24 0.00 -0.45 0.00 0.00 34.95 30.80 1mbh s ARG 125 CO 0.00 -1.20 0.97 0.44 -0.68 0.00 0.00 175.30 174.83 1mbh n ILE 126 N 4.55 0.00 -0.08 1.52 -5.35 -1.26 -4.48 119.36 114.27 1mbh n ILE 126 Ca -0.03 -0.50 0.24 0.00 -0.27 0.00 0.00 62.75 62.19 1mbh n ILE 126 Cb 0.41 -1.28 0.70 0.00 -1.74 0.00 0.00 39.64 37.73 1mbh n ILE 126 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1mbh h GLY 127 N -2.18 0.02 0.55 3.28 0.00 -1.94 -1.60 103.07 101.20 1mbh h GLY 127 Ca -0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1mbh h GLY 127 CO 0.23 0.00 -0.16 1.70 0.00 0.00 0.00 176.54 178.31 1mbh h LYS 128 N 0.01 0.20 0.14 4.80 3.64 -1.94 -1.64 116.57 121.78 1mbh h LYS 128 Ca 0.33 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1mbh h LYS 128 Cb 1.30 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1mbh h LYS 128 CO -0.01 0.78 -0.12 1.96 -2.27 0.00 0.00 179.45 179.79 1mbh h GLN 129 N -0.34 -0.27 -0.20 1.90 7.50 -1.62 0.42 115.11 122.48 1mbh h GLN 129 Ca -0.01 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1mbh h GLN 129 Cb 0.80 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1mbh h GLN 129 CO 0.03 -0.18 0.12 0.00 -1.50 0.00 0.00 178.83 177.31 1mbh h ARG 131 N 0.25 -0.48 -0.26 0.00 9.65 -1.13 -2.08 114.38 120.34 1mbh h ARG 131 Ca 0.07 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1mbh h ARG 131 Cb 0.01 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 1mbh h ARG 131 CO -0.01 -0.32 0.04 1.49 2.80 0.00 0.00 179.97 183.96 1mbh h GLU 132 N -0.49 0.12 -0.81 0.20 4.81 -0.73 0.12 114.58 117.80 1mbh h GLU 132 Ca 0.04 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1mbh h GLU 132 Cb 0.54 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1mbh h GLU 132 CO -0.19 0.08 0.53 -0.09 -0.73 0.00 0.00 179.01 178.61 1mbh h ARG 133 N 0.13 0.73 0.00 1.92 9.65 -0.76 -3.14 114.38 122.91 1mbh h ARG 133 Ca 0.12 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.80 1mbh h ARG 133 Cb 0.13 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1mbh h ARG 133 CO -0.17 0.48 -0.87 2.35 2.80 0.00 0.00 179.97 184.57 1mbh h TRP 134 N 0.75 0.00 0.00 2.20 2.91 -0.77 -3.22 115.95 117.82 1mbh h TRP 134 Ca 0.38 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.40 1mbh h TRP 134 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1mbh h TRP 134 CO -0.00 1.20 0.00 0.72 -1.03 0.00 0.00 178.44 179.33 1mbh n HIS 135 N -4.50 0.00 0.07 2.65 8.25 0.38 -3.68 115.22 118.38 1mbh n HIS 135 Ca -0.24 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1mbh n HIS 135 Cb 0.58 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1mbh n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mbh n ASN 136 N 0.38 -0.16 0.00 0.41 3.02 -1.19 -4.99 115.26 112.74 1mbh n ASN 136 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1mbh n ASN 136 Cb 0.33 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1mbh n ASN 136 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mbh n HIS 137 N -2.96 0.00 -1.59 3.10 8.25 -1.21 -4.98 115.22 115.82 1mbh n HIS 137 Ca 0.00 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.96 1mbh n HIS 137 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1mbh n HIS 137 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1mbh n LEU 138 N 0.00 1.68 -2.80 2.41 -0.00 -1.26 -4.93 117.00 112.10 1mbh n LEU 138 Ca 0.00 1.13 -0.10 0.00 -0.00 0.00 0.00 56.01 57.04 1mbh n LEU 138 Cb 0.00 -1.22 0.07 0.00 -0.00 0.00 0.00 43.42 42.27 1mbh n LEU 138 CO 0.00 -1.12 0.22 -3.20 -0.00 0.00 0.00 177.39 173.29 1mbh n ASN 139 N 2.31 -1.17 0.19 1.45 2.85 -1.26 -4.56 115.26 115.07 1mbh n ASN 139 Ca 0.17 -3.12 -0.09 0.00 -0.11 0.00 0.00 54.58 51.43 1mbh n ASN 139 Cb 0.22 0.91 -0.04 0.00 1.24 0.00 0.00 39.78 42.11 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mbh h PRO 140 N 2.73 -0.51 0.00 1.20 0.13 -1.95 -3.53 132.00 130.08 1mbh h PRO 140 Ca -0.11 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1mbh h PRO 140 Cb 1.14 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1mbh h PRO 140 CO 0.19 -0.34 0.00 0.39 -0.23 0.00 0.00 178.00 178.01