#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 -1.31 -0.08 2.08 -1.26 -4.89 119.36 113.90 1mbh n ILE 91 Ca 0.00 -0.83 -0.40 0.00 0.56 0.00 0.00 62.75 62.08 1mbh n ILE 91 Cb 0.00 -1.57 -0.03 0.00 -0.75 0.00 0.00 39.64 37.29 1mbh n ILE 91 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1mbh n LYS 92 N -3.44 2.19 -1.33 0.38 4.81 -1.26 -4.87 118.16 114.64 1mbh n LYS 92 Ca 0.14 -2.09 0.18 0.00 -0.87 0.00 0.00 58.31 55.68 1mbh n LYS 92 Cb 0.50 -2.99 -0.05 0.00 0.02 0.00 0.00 35.03 32.52 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mbh n GLY 93 N 4.23 -1.92 2.64 3.14 0.00 -1.26 -3.97 105.19 108.05 1mbh n GLY 93 Ca 0.52 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1mbh n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 94 N -3.99 2.86 -1.23 1.61 -0.04 -1.26 -4.83 135.00 128.13 1mbh n PRO 94 Ca 0.01 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1mbh n PRO 94 Cb 0.60 -3.02 -0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1mbh n PRO 94 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1mbh n TRP 95 N 5.36 -3.36 -4.08 0.54 7.02 -1.25 -5.07 117.44 116.60 1mbh n TRP 95 Ca 0.59 1.82 -0.08 0.00 -1.02 0.00 0.00 57.50 58.81 1mbh n TRP 95 Cb 0.32 -2.93 -0.10 0.00 -2.42 0.00 0.00 31.31 26.18 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 -5.09 0.28 0.32 -0.99 -4.23 -1.26 -5.04 115.64 99.62 1mbh s THR 96 Ca 0.00 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1mbh s THR 96 Cb 0.00 -1.31 0.30 0.00 1.34 0.00 0.00 72.50 72.82 1mbh s THR 96 CO 0.00 -0.88 1.89 0.50 -0.54 0.00 0.00 174.62 175.58 1mbh h LYS 97 N 3.41 0.86 -0.04 3.99 3.64 -1.98 0.77 116.57 127.22 1mbh h LYS 97 Ca -0.34 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1mbh h LYS 97 Cb 1.16 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1mbh h LYS 97 CO 0.61 0.57 0.02 1.49 -2.27 0.00 0.00 179.45 179.87 1mbh h GLU 98 N 0.89 0.06 -0.43 1.90 4.81 -1.99 0.98 114.58 120.79 1mbh h GLU 98 Ca 0.42 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1mbh h GLU 98 Cb 0.44 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1mbh h GLU 98 CO -0.19 0.12 0.17 0.93 -0.73 0.00 0.00 179.01 179.31 1mbh h GLU 99 N -0.02 0.64 -0.85 1.92 5.08 -1.75 -2.69 114.58 116.91 1mbh h GLU 99 Ca 0.01 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1mbh h GLU 99 Cb 0.08 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1mbh h GLU 99 CO -0.00 0.60 0.55 -0.44 -1.00 0.00 0.00 179.01 178.72 1mbh h ASP 100 N 0.55 0.99 -0.93 1.42 3.32 -0.71 -2.07 116.42 118.99 1mbh h ASP 100 Ca 0.14 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1mbh h ASP 100 Cb 0.20 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.43 1mbh h ASP 100 CO -0.01 0.73 0.59 -0.61 -1.72 0.00 0.00 179.24 178.22 1mbh h GLN 101 N 1.16 0.89 -0.10 3.56 5.75 -0.48 0.07 115.11 125.96 1mbh h GLN 101 Ca 0.31 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1mbh h GLN 101 Cb -0.11 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.23 1mbh h GLN 101 CO -0.07 0.59 0.00 0.00 -2.65 0.00 0.00 178.83 176.70 1mbh h ARG 102 N 0.91 0.17 -0.40 1.69 3.08 -1.19 -2.67 114.38 115.97 1mbh h ARG 102 Ca 0.44 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.49 1mbh h ARG 102 Cb 0.44 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1mbh h ARG 102 CO -0.20 0.42 0.12 0.28 -1.07 0.00 0.00 179.97 179.52 1mbh h VAL 103 N -0.10 0.85 -0.29 2.04 2.07 -0.89 0.35 116.25 120.28 1mbh h VAL 103 Ca 0.03 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1mbh h VAL 103 Cb 0.34 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1mbh h VAL 103 CO 0.00 0.05 -0.21 0.40 0.02 0.00 0.00 177.57 177.84 1mbh h ILE 104 N 0.27 0.44 -0.12 4.57 2.04 -0.96 0.15 117.51 123.90 1mbh h ILE 104 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1mbh h ILE 104 Cb 0.19 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1mbh h ILE 104 CO -0.21 0.00 0.04 -0.08 0.00 0.00 0.00 178.15 177.90 1mbh h GLU 105 N -0.18 0.19 -0.72 2.37 4.22 -1.08 -1.22 114.58 118.15 1mbh h GLU 105 Ca 0.15 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.59 1mbh h GLU 105 Cb 0.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1mbh h GLU 105 CO -0.40 0.33 0.47 -0.07 -2.18 0.00 0.00 179.01 177.17 1mbh h LEU 106 N 0.01 0.75 -0.27 1.64 3.38 -0.48 0.25 115.31 120.58 1mbh h LEU 106 Ca 0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1mbh h LEU 106 Cb 0.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1mbh h LEU 106 CO -0.00 0.51 -0.29 0.58 0.09 0.00 0.00 178.44 179.33 1mbh h VAL 107 N 0.87 1.31 -0.68 1.22 2.07 -0.53 0.51 116.25 121.01 1mbh h VAL 107 Ca 0.29 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1mbh h VAL 107 Cb 0.06 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1mbh h VAL 107 CO -0.08 0.47 0.35 -0.61 0.02 0.00 0.00 177.57 177.72 1mbh h GLN 108 N 0.42 0.94 0.30 1.57 4.15 -0.24 0.93 115.11 123.19 1mbh h GLN 108 Ca 0.04 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1mbh h GLN 108 Cb 0.87 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1mbh h GLN 108 CO 0.07 0.71 -0.15 -0.22 -1.93 0.00 0.00 178.83 177.31 1mbh h LYS 109 N 0.95 -0.39 0.00 1.69 1.63 -0.36 -3.42 116.57 116.66 1mbh h LYS 109 Ca 0.24 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1mbh h LYS 109 Cb 0.05 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1mbh h LYS 109 CO -0.04 -0.12 0.00 0.66 -3.45 0.00 0.00 179.45 176.50 1mbh n TYR 110 N -5.05 0.00 0.00 1.91 4.01 0.15 -5.09 117.16 113.09 1mbh n TYR 110 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1mbh n TYR 110 Cb 0.23 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1mbh n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mbh n GLY 111 N 1.91 -0.26 1.04 2.72 0.00 0.32 -4.95 105.19 105.97 1mbh n GLY 111 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 112 N -0.97 0.71 -0.63 1.61 -0.04 -1.26 -4.48 135.00 129.96 1mbh n PRO 112 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mbh n PRO 112 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbh n LYS 113 N 0.71 0.17 -3.77 0.54 4.76 -1.26 -4.95 118.16 114.36 1mbh n LYS 113 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1mbh n LYS 113 Cb 0.36 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.57 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mbh n ARG 114 N 0.00 -4.58 0.30 1.97 1.74 -1.26 -4.84 116.66 109.99 1mbh n ARG 114 Ca 0.00 0.57 0.19 0.00 -0.77 0.00 0.00 57.85 57.84 1mbh n ARG 114 Cb 0.00 -5.05 0.93 0.00 -1.02 0.00 0.00 32.46 27.32 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 -1.87 0.00 -0.34 -1.55 4.06 -1.92 -1.27 115.95 113.06 1mbh h TRP 115 Ca -0.61 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.24 1mbh h TRP 115 Cb 1.36 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.47 0.02 -0.15 1.03 -3.56 0.00 0.00 178.44 176.26 1mbh h SER 116 N 0.00 0.71 -0.14 -3.49 0.87 -1.93 0.37 113.55 109.95 1mbh h SER 116 Ca -0.00 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1mbh h SER 116 Cb 0.25 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1mbh h SER 116 CO 0.00 0.95 0.01 0.58 -0.53 0.00 0.00 176.83 177.85 1mbh h VAL 117 N 0.47 1.24 -0.36 2.23 2.07 -1.62 -0.21 116.25 120.06 1mbh h VAL 117 Ca 0.08 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1mbh h VAL 117 Cb 0.68 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1mbh h VAL 117 CO 0.05 0.23 0.22 0.40 0.02 0.00 0.00 177.57 178.48 1mbh h ILE 118 N -0.01 1.05 -0.82 4.57 2.04 -1.35 -2.06 117.51 120.93 1mbh h ILE 118 Ca 0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1mbh h ILE 118 Cb 0.34 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1mbh h ILE 118 CO 0.01 0.08 0.47 0.00 0.00 0.00 0.00 178.15 178.71 1mbh h ALA 119 N 1.15 1.28 -0.78 1.87 0.00 -0.83 -0.91 119.26 121.05 1mbh h ALA 119 Ca 0.14 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1mbh h ALA 119 Cb -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 1mbh h ALA 119 CO -0.06 0.60 0.52 -0.22 0.00 0.00 0.00 179.25 180.09 1mbh h LYS 120 N 1.14 0.40 0.14 0.00 3.64 -0.31 -1.96 116.57 119.63 1mbh h LYS 120 Ca 0.29 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.38 1mbh h LYS 120 Cb -0.01 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1mbh h LYS 120 CO -0.05 0.27 -1.34 0.45 -2.27 0.00 0.00 179.45 176.51 1mbh h HIS 121 N 0.42 0.54 -0.25 1.91 3.86 -1.08 -3.37 115.15 117.17 1mbh h HIS 121 Ca 0.38 -0.40 -0.71 0.00 -1.16 0.00 0.00 60.37 58.49 1mbh h HIS 121 Cb 0.89 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.28 1mbh h HIS 121 CO -0.00 1.52 2.91 1.28 0.86 0.00 0.00 177.93 184.50 1mbh n LEU 122 N -3.91 6.59 -4.55 2.43 4.32 -0.43 -4.91 117.00 116.53 1mbh n LEU 122 Ca -0.22 -4.16 -0.28 0.00 -0.02 0.00 0.00 56.01 51.33 1mbh n LEU 122 Cb 0.92 -1.66 -0.04 0.00 -1.62 0.00 0.00 43.42 41.02 1mbh n LEU 122 CO 0.45 1.01 1.68 -0.54 -1.22 0.00 0.00 177.39 178.77 1mbh s LYS 123 N 3.08 1.98 0.00 3.23 1.02 -1.23 -1.87 119.74 125.94 1mbh s LYS 123 Ca 0.47 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.42 1mbh s LYS 123 Cb 0.12 -4.66 0.00 0.00 -0.52 0.00 0.00 37.83 32.77 1mbh s LYS 123 CO -0.06 -3.66 0.00 0.41 -0.92 0.00 0.00 175.35 171.12 1mbh n GLY 124 N 6.30 2.21 3.97 -3.33 0.00 -1.26 -5.07 105.19 108.02 1mbh n GLY 124 Ca 0.39 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 2.20 0.28 1.61 1.81 -0.78 -4.92 118.95 119.15 1mbh s ARG 125 Ca 0.00 -0.80 0.02 0.00 -1.72 0.00 0.00 55.73 53.23 1mbh s ARG 125 Cb 0.00 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 32.07 1mbh s ARG 125 CO 0.00 -1.04 0.12 0.96 -0.68 0.00 0.00 175.30 174.67 1mbh s ILE 126 N -2.96 0.46 0.32 1.52 -5.25 -1.26 -4.88 121.20 109.15 1mbh s ILE 126 Ca 0.61 -2.00 0.10 0.00 -0.99 0.00 0.00 60.65 58.36 1mbh s ILE 126 Cb -0.09 -2.57 0.34 0.00 2.95 0.00 0.00 42.46 43.09 1mbh s ILE 126 CO 0.41 0.00 1.63 1.23 -1.79 0.00 0.00 174.94 176.42 1mbh h GLY 127 N 2.29 1.76 0.84 6.27 0.00 -1.95 -1.06 103.07 111.23 1mbh h GLY 127 Ca -0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1mbh h GLY 127 CO 0.57 -0.51 -0.18 1.70 0.00 0.00 0.00 176.54 178.12 1mbh h LYS 128 N 0.19 -0.48 0.02 4.80 3.11 -1.97 -0.83 116.57 121.41 1mbh h LYS 128 Ca 0.68 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.56 1mbh h LYS 128 Cb 1.53 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.85 1mbh h LYS 128 CO -0.69 -0.23 -0.10 1.96 -2.81 0.00 0.00 179.45 177.58 1mbh h GLN 129 N -0.67 -0.17 -0.32 1.90 7.50 -1.67 0.87 115.11 122.55 1mbh h GLN 129 Ca -0.05 0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.17 1mbh h GLN 129 Cb 0.48 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.00 1mbh h GLN 129 CO 0.08 -0.11 -0.01 0.00 -1.50 0.00 0.00 178.83 177.29 1mbh h ARG 131 N 0.08 -0.49 0.02 0.00 1.12 -0.87 -3.01 114.38 111.23 1mbh h ARG 131 Ca 0.16 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.09 1mbh h ARG 131 Cb 0.21 0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 30.23 1mbh h ARG 131 CO -0.27 -0.29 -0.37 1.49 -3.11 0.00 0.00 179.97 177.42 1mbh h GLU 132 N -0.56 -0.52 -0.95 0.20 4.57 -0.51 0.93 114.58 117.74 1mbh h GLU 132 Ca -0.05 0.04 0.27 0.00 -1.18 0.00 0.00 59.36 58.44 1mbh h GLU 132 Cb 0.42 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 28.99 1mbh h GLU 132 CO 0.09 -0.35 0.43 -0.09 -1.18 0.00 0.00 179.01 177.91 1mbh h ARG 133 N -0.54 0.30 0.02 1.92 9.65 -0.97 -2.16 114.38 122.60 1mbh h ARG 133 Ca 0.05 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1mbh h ARG 133 Cb 0.61 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1mbh h ARG 133 CO -0.28 0.20 -0.01 2.35 2.80 0.00 0.00 179.97 185.03 1mbh h TRP 134 N 0.31 -0.03 0.00 2.20 2.91 -1.20 -3.25 115.95 116.89 1mbh h TRP 134 Ca 0.64 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.66 1mbh h TRP 134 Cb 1.36 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 1mbh h TRP 134 CO -0.12 0.61 0.00 0.72 -1.03 0.00 0.00 178.44 178.62 1mbh n HIS 135 N -4.71 0.00 0.00 2.65 8.25 0.24 -3.55 115.22 118.11 1mbh n HIS 135 Ca -0.07 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1mbh n HIS 135 Cb 0.32 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.67 0.00 -0.06 0.41 3.02 -0.99 -4.96 115.26 113.35 1mbh n ASN 136 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1mbh n ASN 136 Cb 0.39 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1mbh n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mbh n HIS 137 N -1.73 0.00 -2.26 3.10 1.44 -1.24 -4.80 115.22 109.74 1mbh n HIS 137 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1mbh n HIS 137 Cb 0.00 -0.33 -0.04 0.00 0.12 0.00 0.00 29.99 29.74 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mbh s LEU 138 N -6.98 3.33 -0.40 2.39 1.02 -1.23 -4.75 118.68 112.05 1mbh s LEU 138 Ca -0.19 -1.47 0.10 0.00 0.02 0.00 0.00 54.13 52.59 1mbh s LEU 138 Cb 0.03 -2.57 0.31 0.00 0.02 0.00 0.00 46.19 43.97 1mbh s LEU 138 CO 0.29 -2.30 0.67 -3.20 0.02 0.00 0.00 176.35 171.82 1mbh n ASN 139 N 12.03 0.98 0.15 2.29 5.15 -1.23 -4.42 115.26 130.20 1mbh n ASN 139 Ca 0.42 -2.96 0.01 0.00 -0.60 0.00 0.00 54.58 51.45 1mbh n ASN 139 Cb 0.47 -0.63 0.32 0.00 -0.53 0.00 0.00 39.78 39.42 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mbh h PRO 140 N 3.41 0.11 0.00 1.20 0.13 -1.92 -3.52 132.00 131.41 1mbh h PRO 140 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1mbh h PRO 140 Cb 0.89 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1mbh h PRO 140 CO 0.52 0.44 0.00 0.39 -0.23 0.00 0.00 178.00 179.13