#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh s ILE 91 N 0.00 3.82 -1.36 1.96 -1.09 -1.26 -4.93 121.20 118.34 1mbh s ILE 91 Ca 0.00 1.20 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1mbh s ILE 91 Cb 0.00 -3.52 0.06 0.00 -1.58 0.00 0.00 42.46 37.42 1mbh s ILE 91 CO 0.00 -0.18 0.78 1.17 -1.23 0.00 0.00 174.94 175.47 1mbh n LYS 92 N -0.71 1.24 0.00 2.79 4.81 -1.26 -4.98 118.16 120.05 1mbh n LYS 92 Ca 0.08 -0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1mbh n LYS 92 Cb 0.52 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.21 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 0.27 4.02 1.56 3.14 0.00 -1.26 -4.66 105.19 108.26 1mbh n GLY 93 Ca 0.02 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 14.00 -2.58 -3.39 1.61 -0.04 -1.26 -5.05 135.00 138.29 1mbh n PRO 94 Ca 0.00 -0.76 -0.22 0.00 -0.04 0.00 0.00 63.50 62.48 1mbh n PRO 94 Cb 0.00 -0.81 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mbh s TRP 95 N -1.75 3.32 0.13 0.54 0.52 -1.26 -5.13 118.94 115.32 1mbh s TRP 95 Ca 0.32 0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.62 1mbh s TRP 95 Cb -0.04 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1mbh s TRP 95 CO 0.26 0.01 -0.12 0.95 0.02 0.00 0.00 176.95 178.06 1mbh s THR 96 N -2.30 1.24 0.31 2.01 -4.23 -1.26 -5.04 115.64 106.38 1mbh s THR 96 Ca 0.42 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1mbh s THR 96 Cb -0.10 -1.63 0.27 0.00 1.34 0.00 0.00 72.50 72.38 1mbh s THR 96 CO 0.34 -0.55 1.96 0.50 -0.54 0.00 0.00 174.62 176.33 1mbh h LYS 97 N 3.24 0.99 -0.29 3.99 1.63 -2.00 0.11 116.57 124.23 1mbh h LYS 97 Ca -0.38 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1mbh h LYS 97 Cb 1.20 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1mbh h LYS 97 CO 0.56 0.65 0.14 1.49 -3.45 0.00 0.00 179.45 178.84 1mbh h GLU 98 N 1.02 0.41 -0.57 1.90 4.22 -1.99 0.27 114.58 119.84 1mbh h GLU 98 Ca 0.31 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 1mbh h GLU 98 Cb -0.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1mbh h GLU 98 CO -0.09 0.40 0.23 1.49 -2.18 0.00 0.00 179.01 178.86 1mbh h GLU 99 N 0.33 0.85 -0.97 1.92 4.81 -1.75 -2.22 114.58 117.54 1mbh h GLU 99 Ca 0.10 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1mbh h GLU 99 Cb 0.12 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1mbh h GLU 99 CO -0.01 0.73 0.64 -0.44 -0.73 0.00 0.00 179.01 179.20 1mbh h ASP 100 N 0.78 1.09 -0.83 1.04 3.32 -0.55 -1.43 116.42 119.85 1mbh h ASP 100 Ca 0.19 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1mbh h ASP 100 Cb 0.19 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 1mbh h ASP 100 CO -0.02 0.77 0.52 -0.61 -1.72 0.00 0.00 179.24 178.19 1mbh h GLN 101 N 1.28 0.94 -0.42 3.56 5.75 -0.37 0.70 115.11 126.55 1mbh h GLN 101 Ca 0.37 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.78 1mbh h GLN 101 Cb -0.09 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.23 1mbh h GLN 101 CO -0.10 0.62 0.15 0.00 -2.65 0.00 0.00 178.83 176.85 1mbh h ARG 102 N 0.97 0.65 -0.70 1.69 3.08 -0.80 -1.45 114.38 117.81 1mbh h ARG 102 Ca 0.35 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1mbh h ARG 102 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1mbh h ARG 102 CO -0.15 0.62 0.43 -0.24 -1.07 0.00 0.00 179.97 179.56 1mbh h VAL 103 N 0.54 1.20 0.01 2.04 3.04 -0.48 0.63 116.25 123.22 1mbh h VAL 103 Ca 0.14 -0.42 0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1mbh h VAL 103 Cb 0.23 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1mbh h VAL 103 CO -0.01 0.20 -0.05 0.40 -1.01 0.00 0.00 177.57 177.10 1mbh h ILE 104 N 0.96 0.87 -0.04 3.17 2.04 -0.62 0.75 117.51 124.64 1mbh h ILE 104 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.13 1mbh h ILE 104 Cb -0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1mbh h ILE 104 CO -0.05 0.00 -0.03 -0.08 0.00 0.00 0.00 178.15 177.99 1mbh h GLU 105 N -0.10 -0.04 -0.41 2.37 4.22 -0.92 0.32 114.58 120.02 1mbh h GLU 105 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1mbh h GLU 105 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1mbh h GLU 105 CO -0.05 -0.02 0.09 -0.07 -2.18 0.00 0.00 179.01 176.78 1mbh h LEU 106 N -0.04 0.56 -0.09 1.64 3.38 -0.68 -1.64 115.31 118.44 1mbh h LEU 106 Ca 0.03 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1mbh h LEU 106 Cb 0.08 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1mbh h LEU 106 CO -0.06 0.57 -1.00 0.58 0.09 0.00 0.00 178.44 178.61 1mbh h VAL 107 N 0.59 1.36 0.00 1.22 2.07 -0.54 0.33 116.25 121.29 1mbh h VAL 107 Ca 0.14 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 1mbh h VAL 107 Cb 0.24 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1mbh h VAL 107 CO -0.00 0.72 -0.06 -0.61 0.02 0.00 0.00 177.57 177.64 1mbh h GLN 108 N 0.29 0.00 0.00 1.57 4.15 -0.59 0.54 115.11 121.07 1mbh h GLN 108 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1mbh h GLN 108 Cb 1.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1mbh h GLN 108 CO 0.18 0.06 -0.40 -0.22 -1.93 0.00 0.00 178.83 176.52 1mbh h LYS 109 N 0.00 0.00 -0.00 1.69 1.63 -1.06 -3.41 116.57 115.42 1mbh h LYS 109 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1mbh h LYS 109 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1mbh h LYS 109 CO 0.01 0.00 -0.37 0.66 -3.45 0.00 0.00 179.45 176.30 1mbh n TYR 110 N -4.16 0.00 0.00 1.91 4.01 0.09 -5.07 117.16 113.94 1mbh n TYR 110 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1mbh n TYR 110 Cb 0.21 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.41 -0.88 1.51 2.72 0.00 0.19 -4.33 105.19 105.81 1mbh n GLY 111 Ca 0.09 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.00 0.73 -4.35 1.61 -0.04 -1.26 -4.57 135.00 126.12 1mbh n PRO 112 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1mbh n PRO 112 Cb 0.00 -1.14 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1mbh n PRO 112 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1mbh s LYS 113 N 0.49 1.75 -1.25 0.54 -0.14 -1.26 -4.91 119.74 114.96 1mbh s LYS 113 Ca 0.00 -2.03 -0.05 0.00 -1.36 0.00 0.00 55.97 52.53 1mbh s LYS 113 Cb 0.00 0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 36.16 1mbh s LYS 113 CO 0.00 -0.56 0.72 0.54 -0.76 0.00 0.00 175.35 175.29 1mbh n ARG 114 N -0.67 -3.67 0.30 1.68 1.74 -1.26 -4.81 116.66 109.97 1mbh n ARG 114 Ca 0.03 0.59 0.18 0.00 -0.77 0.00 0.00 57.85 57.88 1mbh n ARG 114 Cb 0.64 -4.96 0.95 0.00 -1.02 0.00 0.00 32.46 28.06 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 -1.78 0.00 -0.27 -1.55 4.06 -1.92 -1.22 115.95 113.27 1mbh h TRP 115 Ca -0.62 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.28 1mbh h TRP 115 Cb 1.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.42 0.03 -0.02 0.66 -3.56 0.00 0.00 178.44 175.97 1mbh h SER 116 N 0.00 0.49 -0.09 -3.49 4.64 -1.91 0.49 113.55 113.67 1mbh h SER 116 Ca -0.00 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1mbh h SER 116 Cb 0.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1mbh h SER 116 CO 0.00 0.70 0.02 0.58 -0.87 0.00 0.00 176.83 177.27 1mbh h VAL 117 N 0.27 1.20 -0.57 0.95 2.07 -1.61 -0.07 116.25 118.49 1mbh h VAL 117 Ca 0.07 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1mbh h VAL 117 Cb 0.46 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1mbh h VAL 117 CO 0.02 0.17 0.29 0.40 0.02 0.00 0.00 177.57 178.47 1mbh h ILE 118 N -0.07 0.93 -0.72 4.57 2.04 -1.32 -2.02 117.51 120.91 1mbh h ILE 118 Ca 0.03 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1mbh h ILE 118 Cb 0.26 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1mbh h ILE 118 CO 0.00 0.10 0.26 0.00 0.00 0.00 0.00 178.15 178.51 1mbh h ALA 119 N 1.32 0.94 -0.01 1.87 0.00 -0.72 0.02 119.26 122.69 1mbh h ALA 119 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mbh h ALA 119 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mbh h ALA 119 CO -0.19 0.59 0.02 0.87 0.00 0.00 0.00 179.25 180.54 1mbh h LYS 120 N 1.05 0.00 0.05 0.00 1.57 -0.27 -2.23 116.57 116.74 1mbh h LYS 120 Ca 0.24 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.66 1mbh h LYS 120 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1mbh h LYS 120 CO -0.01 0.00 -2.02 0.72 -0.57 0.00 0.00 179.45 177.57 1mbh n HIS 121 N -3.36 0.72 -1.95 -1.35 8.25 -0.84 -4.46 115.22 112.23 1mbh n HIS 121 Ca -0.03 0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 1mbh n HIS 121 Cb 0.09 -1.09 -0.00 0.00 1.12 0.00 0.00 29.99 30.11 1mbh n HIS 121 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1mbh n LEU 122 N -3.78 7.33 -4.66 2.41 7.94 -0.06 -4.97 117.00 121.20 1mbh n LEU 122 Ca -0.39 -4.52 -0.47 0.00 -1.11 0.00 0.00 56.01 49.52 1mbh n LEU 122 Cb 0.92 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 43.32 1mbh n LEU 122 CO 0.27 1.56 1.20 0.29 -1.11 0.00 0.00 177.39 179.59 1mbh n LYS 123 N 3.96 2.06 0.00 1.96 5.02 -1.18 -1.49 118.16 128.49 1mbh n LYS 123 Ca 0.54 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 1mbh n LYS 123 Cb 0.33 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mbh n GLY 124 N 3.43 1.66 2.91 0.72 0.00 -1.26 -5.05 105.19 107.60 1mbh n GLY 124 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.51 1.41 0.99 1.61 1.81 -0.55 -4.74 118.95 118.98 1mbh s ARG 125 Ca 0.00 -1.10 -0.14 0.00 -1.72 0.00 0.00 55.73 52.77 1mbh s ARG 125 Cb 0.00 -2.56 0.19 0.00 -0.45 0.00 0.00 34.95 32.12 1mbh s ARG 125 CO 0.00 -0.71 1.14 0.96 -0.68 0.00 0.00 175.30 176.01 1mbh s ILE 126 N 1.38 1.93 0.26 1.52 -4.36 -1.26 -4.47 121.20 116.19 1mbh s ILE 126 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.36 1mbh s ILE 126 Cb -0.19 -2.66 0.24 0.00 1.25 0.00 0.00 42.46 41.10 1mbh s ILE 126 CO -0.09 0.00 1.72 1.23 0.24 0.00 0.00 174.94 178.03 1mbh h GLY 127 N -1.82 1.24 0.84 6.27 0.00 -1.92 -1.00 103.07 106.68 1mbh h GLY 127 Ca -0.50 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1mbh h GLY 127 CO 0.54 -0.14 -0.06 1.70 0.00 0.00 0.00 176.54 178.57 1mbh h LYS 128 N 0.43 -0.11 0.29 4.80 3.64 -1.91 -0.33 116.57 123.38 1mbh h LYS 128 Ca 0.45 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1mbh h LYS 128 Cb 0.74 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1mbh h LYS 128 CO -0.44 -0.07 -0.17 1.96 -2.27 0.00 0.00 179.45 178.45 1mbh h GLN 129 N -0.11 -0.42 0.09 1.90 4.20 -1.63 0.97 115.11 120.10 1mbh h GLN 129 Ca 0.03 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1mbh h GLN 129 Cb 0.14 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1mbh h GLN 129 CO -0.06 -0.28 -0.35 0.00 -0.67 0.00 0.00 178.83 177.46 1mbh h ARG 131 N -0.56 0.51 0.91 0.00 1.12 -0.97 -2.21 114.38 113.18 1mbh h ARG 131 Ca 0.04 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1mbh h ARG 131 Cb 0.60 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 30.45 1mbh h ARG 131 CO -0.23 0.34 -0.46 1.49 -3.11 0.00 0.00 179.97 178.00 1mbh h GLU 132 N 0.53 -1.21 -0.92 0.20 4.81 -0.38 0.49 114.58 118.10 1mbh h GLU 132 Ca 0.23 0.08 0.26 0.00 -0.13 0.00 0.00 59.36 59.80 1mbh h GLU 132 Cb 0.12 0.27 -0.15 0.00 0.63 0.00 0.00 28.75 29.63 1mbh h GLU 132 CO -0.15 -0.80 0.30 -0.09 -0.73 0.00 0.00 179.01 177.54 1mbh h ARG 133 N -1.25 0.20 0.62 1.92 9.65 -0.72 -1.47 114.38 123.33 1mbh h ARG 133 Ca -0.12 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1mbh h ARG 133 Cb 0.97 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.51 1mbh h ARG 133 CO 0.19 0.13 -0.30 2.35 2.80 0.00 0.00 179.97 185.14 1mbh h TRP 134 N 0.21 -0.77 0.00 2.20 2.91 -1.10 -3.21 115.95 116.18 1mbh h TRP 134 Ca 0.61 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.61 1mbh h TRP 134 Cb 1.29 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 30.19 1mbh h TRP 134 CO -0.22 -0.48 0.00 0.72 -1.03 0.00 0.00 178.44 177.43 1mbh n HIS 135 N -5.10 0.00 0.00 2.65 8.25 0.14 -1.36 115.22 119.80 1mbh n HIS 135 Ca -0.10 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1mbh n HIS 135 Cb 0.33 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.80 0.00 -0.08 0.41 3.02 -0.69 -4.96 115.26 113.76 1mbh n ASN 136 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1mbh n ASN 136 Cb 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.90 0.45 0.00 3.10 -0.00 -1.23 -4.92 115.22 111.72 1mbh n HIS 137 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1mbh n HIS 137 Cb 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 29.99 28.93 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1mbh n LEU 138 N -3.34 0.00 -3.33 2.41 4.32 -1.18 -4.92 117.00 110.96 1mbh n LEU 138 Ca -0.41 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.36 1mbh n LEU 138 Cb 1.01 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.88 1mbh n LEU 138 CO 0.32 0.00 0.21 -3.20 -1.22 0.00 0.00 177.39 173.50 1mbh n ASN 139 N 0.00 -6.08 -0.23 -1.43 5.15 -0.47 -4.92 115.26 107.28 1mbh n ASN 139 Ca 0.00 -0.48 -0.06 0.00 -0.60 0.00 0.00 54.58 53.44 1mbh n ASN 139 Cb 0.00 -4.73 0.04 0.00 -0.53 0.00 0.00 39.78 34.56 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 -2.39 0.89 0.00 1.20 0.13 -1.91 -3.51 132.00 126.41 1mbh h PRO 140 Ca -0.53 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1mbh h PRO 140 Cb 1.34 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1mbh h PRO 140 CO 0.52 0.66 0.00 0.39 -0.23 0.00 0.00 178.00 179.34