#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 2.79 -1.45 -0.08 -1.09 -1.26 -4.82 121.20 115.28 1mbh s ILE 91 Ca 0.00 0.37 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 1mbh s ILE 91 Cb 0.00 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1mbh s ILE 91 CO 0.00 -0.22 2.47 1.17 -1.23 0.00 0.00 174.94 177.13 1mbh n LYS 92 N -2.62 3.04 -1.77 2.79 4.81 -1.26 -4.93 118.16 118.22 1mbh n LYS 92 Ca 0.12 -2.36 -0.29 0.00 -0.87 0.00 0.00 58.31 54.91 1mbh n LYS 92 Cb 0.51 -3.05 0.12 0.00 0.02 0.00 0.00 35.03 32.63 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mbh s GLY 93 N 2.95 1.61 0.23 3.14 0.00 -1.26 -4.97 107.32 109.02 1mbh s GLY 93 Ca 0.56 -0.70 -0.32 0.00 0.00 0.00 0.00 44.72 44.25 1mbh s GLY 93 CO -0.06 -0.14 1.57 -1.05 0.00 0.00 0.00 173.10 173.42 1mbh n PRO 94 N -3.56 2.41 -2.09 2.90 -0.02 -1.26 -4.94 135.00 128.43 1mbh n PRO 94 Ca 0.09 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 62.08 1mbh n PRO 94 Cb 0.60 -2.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mbh s TRP 95 N 0.47 2.51 0.27 6.00 0.52 -1.26 -5.05 118.94 122.40 1mbh s TRP 95 Ca 0.71 1.53 0.10 0.00 0.02 0.00 0.00 56.10 58.46 1mbh s TRP 95 Cb -0.58 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.30 1mbh s TRP 95 CO 0.43 -1.94 -0.01 0.95 0.02 0.00 0.00 176.95 176.40 1mbh s THR 96 N -1.71 3.36 0.39 2.01 -4.23 -1.26 -5.01 115.64 109.19 1mbh s THR 96 Ca 0.75 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1mbh s THR 96 Cb -0.27 -2.82 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1mbh s THR 96 CO 0.31 -0.36 2.01 0.50 -0.54 0.00 0.00 174.62 176.54 1mbh h LYS 97 N 1.89 0.64 -0.04 3.99 3.64 -1.98 -0.33 116.57 124.37 1mbh h LYS 97 Ca -0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1mbh h LYS 97 Cb 1.25 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1mbh h LYS 97 CO 0.61 0.42 -0.04 1.49 -2.27 0.00 0.00 179.45 179.66 1mbh h GLU 98 N 0.65 0.09 -0.42 1.90 4.81 -1.98 0.15 114.58 119.79 1mbh h GLU 98 Ca 0.23 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1mbh h GLU 98 Cb 0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1mbh h GLU 98 CO -0.06 0.54 0.04 1.49 -0.73 0.00 0.00 179.01 180.29 1mbh h GLU 99 N -0.36 0.15 -0.32 1.92 4.57 -1.82 -0.66 114.58 118.06 1mbh h GLU 99 Ca 0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1mbh h GLU 99 Cb 0.53 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1mbh h GLU 99 CO 0.01 0.10 0.08 -0.44 -1.18 0.00 0.00 179.01 177.58 1mbh h ASP 100 N 0.15 0.47 -0.75 1.04 3.32 -1.05 -2.72 116.42 116.89 1mbh h ASP 100 Ca 0.21 -0.22 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1mbh h ASP 100 Cb 0.28 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1mbh h ASP 100 CO -0.31 0.57 0.39 -0.61 -1.72 0.00 0.00 179.24 177.56 1mbh h GLN 101 N 0.35 0.62 -0.59 3.56 5.75 0.07 0.19 115.11 125.06 1mbh h GLN 101 Ca 0.10 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1mbh h GLN 101 Cb 0.28 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1mbh h GLN 101 CO -0.00 0.41 0.21 0.00 -2.65 0.00 0.00 178.83 176.80 1mbh h ARG 102 N 0.64 0.91 -0.11 1.69 3.08 -1.02 -1.78 114.38 117.80 1mbh h ARG 102 Ca 0.37 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1mbh h ARG 102 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1mbh h ARG 102 CO -0.28 0.80 0.06 0.28 -1.07 0.00 0.00 179.97 179.76 1mbh h VAL 103 N 0.83 1.09 -0.45 2.04 2.07 -0.94 -0.09 116.25 120.80 1mbh h VAL 103 Ca 0.19 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1mbh h VAL 103 Cb 0.25 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1mbh h VAL 103 CO -0.01 0.08 -0.14 0.40 0.02 0.00 0.00 177.57 177.92 1mbh h ILE 104 N 0.08 0.49 0.09 4.57 2.04 -0.79 0.28 117.51 124.27 1mbh h ILE 104 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1mbh h ILE 104 Cb 0.08 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1mbh h ILE 104 CO -0.01 0.00 -0.04 -0.08 0.00 0.00 0.00 178.15 178.02 1mbh h GLU 105 N -0.04 -0.12 0.00 2.37 4.22 -1.07 -0.73 114.58 119.21 1mbh h GLU 105 Ca 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 1mbh h GLU 105 Cb 0.37 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1mbh h GLU 105 CO -0.49 -0.04 -0.12 -0.07 -2.18 0.00 0.00 179.01 176.11 1mbh h LEU 106 N -0.16 0.00 0.06 1.64 3.38 -0.23 0.26 115.31 120.26 1mbh h LEU 106 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1mbh h LEU 106 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 1mbh h LEU 106 CO 0.02 0.12 -0.74 0.58 0.09 0.00 0.00 178.44 178.50 1mbh h VAL 107 N 0.00 1.44 -0.67 1.22 2.07 -0.17 0.73 116.25 120.87 1mbh h VAL 107 Ca -0.00 -2.27 0.04 0.00 0.82 0.00 0.00 66.70 65.29 1mbh h VAL 107 Cb 0.24 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1mbh h VAL 107 CO 0.02 0.66 0.44 -0.61 0.02 0.00 0.00 177.57 178.10 1mbh h GLN 108 N -0.15 0.74 0.42 1.57 4.15 -0.60 0.10 115.11 121.33 1mbh h GLN 108 Ca -0.11 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1mbh h GLN 108 Cb 1.49 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1mbh h GLN 108 CO 0.14 0.49 -0.20 -0.22 -1.93 0.00 0.00 178.83 177.11 1mbh h LYS 109 N 0.76 -0.54 0.00 1.69 3.64 -0.92 -3.44 116.57 117.76 1mbh h LYS 109 Ca 0.28 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1mbh h LYS 109 Cb 0.14 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mbh h LYS 109 CO -0.08 -0.36 0.00 0.66 -2.27 0.00 0.00 179.45 177.40 1mbh n TYR 110 N -5.15 0.00 0.00 1.91 4.01 0.24 -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 0.22 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 2.26 -0.33 1.50 2.72 0.00 0.34 -4.93 105.19 106.75 1mbh n GLY 111 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.24 0.76 -4.22 1.61 -0.04 -1.26 -4.61 135.00 126.00 1mbh n PRO 112 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1mbh n PRO 112 Cb 0.00 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.44 1.85 -1.31 0.54 1.02 -1.26 -4.93 119.74 116.09 1mbh s LYS 113 Ca 0.00 -1.95 -0.02 0.00 0.02 0.00 0.00 55.97 54.02 1mbh s LYS 113 Cb 0.00 0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1mbh s LYS 113 CO 0.00 -0.72 0.64 0.54 -0.92 0.00 0.00 175.35 174.89 1mbh n ARG 114 N -0.62 -4.05 0.26 1.68 1.74 -1.26 -4.83 116.66 109.58 1mbh n ARG 114 Ca 0.05 0.55 0.18 0.00 -0.77 0.00 0.00 57.85 57.86 1mbh n ARG 114 Cb 0.62 -4.92 0.90 0.00 -1.02 0.00 0.00 32.46 28.04 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 -1.84 0.00 -0.44 -1.55 4.06 -1.92 -0.75 115.95 113.51 1mbh h TRP 115 Ca -0.62 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 0.45 0.00 -0.06 0.77 -3.56 0.00 0.00 178.44 176.05 1mbh h SER 116 N 0.00 0.82 -0.21 -3.49 0.02 -1.93 0.15 113.55 108.90 1mbh h SER 116 Ca 0.00 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1mbh h SER 116 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1mbh h SER 116 CO 0.00 0.96 -0.04 0.58 -1.14 0.00 0.00 176.83 177.19 1mbh h VAL 117 N 0.65 1.28 -0.77 2.27 2.07 -1.50 0.23 116.25 120.49 1mbh h VAL 117 Ca 0.12 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1mbh h VAL 117 Cb 0.58 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1mbh h VAL 117 CO 0.03 0.31 0.36 0.40 0.02 0.00 0.00 177.57 178.70 1mbh h ILE 118 N 0.13 1.25 -0.44 4.57 2.04 -1.43 -2.46 117.51 121.16 1mbh h ILE 118 Ca 0.05 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1mbh h ILE 118 Cb 0.49 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1mbh h ILE 118 CO 0.02 0.30 -0.11 0.00 0.00 0.00 0.00 178.15 178.35 1mbh h ALA 119 N 1.19 0.97 -0.33 1.87 0.00 -0.57 -0.84 119.26 121.54 1mbh h ALA 119 Ca 0.26 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1mbh h ALA 119 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mbh h ALA 119 CO -0.03 0.61 0.24 0.87 0.00 0.00 0.00 179.25 180.94 1mbh h LYS 120 N 0.72 0.00 0.09 0.00 1.79 -0.47 -1.96 116.57 116.74 1mbh h LYS 120 Ca 0.12 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.34 1mbh h LYS 120 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1mbh h LYS 120 CO 0.04 0.00 -1.30 0.45 -1.08 0.00 0.00 179.45 177.56 1mbh h HIS 121 N 0.00 0.35 -0.73 -1.35 3.86 -1.27 -3.39 115.15 112.63 1mbh h HIS 121 Ca 0.16 -0.26 -0.69 0.00 -1.16 0.00 0.00 60.37 58.41 1mbh h HIS 121 Cb 0.64 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.02 1mbh h HIS 121 CO 0.00 1.51 2.40 1.28 0.86 0.00 0.00 177.93 183.98 1mbh n LEU 122 N -4.03 5.54 -4.23 2.43 4.32 -0.37 -4.89 117.00 115.77 1mbh n LEU 122 Ca -0.25 -4.04 -0.33 0.00 -0.02 0.00 0.00 56.01 51.37 1mbh n LEU 122 Cb 0.84 -1.71 -0.06 0.00 -1.62 0.00 0.00 43.42 40.87 1mbh n LEU 122 CO 0.38 0.49 1.69 0.29 -1.22 0.00 0.00 177.39 179.02 1mbh n LYS 123 N 7.45 1.47 0.00 3.23 5.02 -1.23 -2.20 118.16 131.90 1mbh n LYS 123 Ca 0.49 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 1mbh n LYS 123 Cb 0.44 -3.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 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 5.35 0.68 3.53 0.72 0.00 -1.26 -4.84 105.19 109.37 1mbh n GLY 124 Ca 0.46 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 3.42 1.09 1.61 1.81 -0.93 -0.33 118.95 125.61 1mbh s ARG 125 Ca 0.00 -0.39 -0.15 0.00 -1.72 0.00 0.00 55.73 53.46 1mbh s ARG 125 Cb 0.00 -3.87 0.23 0.00 -0.45 0.00 0.00 34.95 30.86 1mbh s ARG 125 CO 0.00 -0.74 1.10 0.96 -0.68 0.00 0.00 175.30 175.94 1mbh s ILE 126 N 2.34 1.84 0.59 1.52 -4.36 -1.26 -4.63 121.20 117.23 1mbh s ILE 126 Ca 0.16 0.00 0.29 0.00 -0.26 0.00 0.00 60.65 60.84 1mbh s ILE 126 Cb -0.16 -2.50 0.36 0.00 1.25 0.00 0.00 42.46 41.41 1mbh s ILE 126 CO 0.14 0.00 2.04 1.23 0.24 0.00 0.00 174.94 178.59 1mbh h GLY 127 N -2.18 0.00 0.53 6.27 0.00 -1.94 -1.45 103.07 104.29 1mbh h GLY 127 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1mbh h GLY 127 CO 0.48 0.00 -0.22 1.70 0.00 0.00 0.00 176.54 178.50 1mbh h LYS 128 N 0.00 0.21 -0.01 4.80 3.64 -1.93 -1.85 116.57 121.42 1mbh h LYS 128 Ca 0.12 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1mbh h LYS 128 Cb 0.69 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1mbh h LYS 128 CO -0.00 0.85 -0.05 1.96 -2.27 0.00 0.00 179.45 179.94 1mbh h GLN 129 N -0.38 -0.08 0.41 1.90 7.50 -1.62 0.16 115.11 123.00 1mbh h GLN 129 Ca -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1mbh h GLN 129 Cb 0.90 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.44 1mbh h GLN 129 CO 0.04 -0.06 -0.26 0.00 -1.50 0.00 0.00 178.83 177.06 1mbh h ARG 131 N -0.64 0.62 0.32 0.00 1.12 -1.26 -2.40 114.38 112.14 1mbh h ARG 131 Ca -0.04 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 1mbh h ARG 131 Cb 0.53 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1mbh h ARG 131 CO 0.04 0.41 -0.18 1.49 -3.11 0.00 0.00 179.97 178.62 1mbh h GLU 132 N 0.64 -0.44 -0.97 0.20 4.81 -0.45 0.28 114.58 118.64 1mbh h GLU 132 Ca 0.23 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.71 1mbh h GLU 132 Cb 0.05 0.10 -0.18 0.00 0.63 0.00 0.00 28.75 29.35 1mbh h GLU 132 CO -0.11 -0.29 -0.13 -0.09 -0.73 0.00 0.00 179.01 177.65 1mbh h ARG 133 N -0.46 0.01 0.45 1.92 9.65 -0.99 -0.73 114.38 124.23 1mbh h ARG 133 Ca -0.04 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1mbh h ARG 133 Cb 0.36 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1mbh h ARG 133 CO 0.06 0.00 -0.22 2.35 2.80 0.00 0.00 179.97 184.96 1mbh h TRP 134 N 0.01 -0.56 -0.29 2.20 2.91 -1.30 -2.78 115.95 116.13 1mbh h TRP 134 Ca 0.52 -0.01 -0.17 0.00 1.13 0.00 0.00 58.89 60.36 1mbh h TRP 134 Cb 0.91 0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 29.66 1mbh h TRP 134 CO -0.65 -0.25 0.21 0.72 -1.03 0.00 0.00 178.44 177.45 1mbh n HIS 135 N -5.26 0.92 0.05 2.65 8.25 0.08 -2.07 115.22 119.83 1mbh n HIS 135 Ca -0.11 -1.12 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1mbh n HIS 135 Cb 0.30 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 0.27 0.18 -2.97 0.41 3.02 -0.53 -4.95 115.26 110.68 1mbh n ASN 136 Ca 0.18 0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.73 1mbh n ASN 136 Cb 0.75 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.94 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 -2.94 -2.14 0.05 3.10 1.44 -1.05 -4.98 115.22 108.69 1mbh n HIS 137 Ca 0.00 -2.49 0.00 0.00 -2.01 0.00 0.00 57.72 53.22 1mbh n HIS 137 Cb 0.00 0.76 0.00 0.00 0.12 0.00 0.00 29.99 30.87 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1mbh n LEU 138 N 1.87 -0.96 -1.37 2.39 -0.00 -1.23 -4.90 117.00 112.80 1mbh n LEU 138 Ca 0.17 0.25 -0.08 0.00 -0.00 0.00 0.00 56.01 56.35 1mbh n LEU 138 Cb 0.57 1.17 -0.06 0.00 -0.00 0.00 0.00 43.42 45.09 1mbh n LEU 138 CO 0.08 -0.16 0.65 -3.20 -0.00 0.00 0.00 177.39 174.76 1mbh n ASN 139 N -2.55 -0.29 0.00 1.96 4.05 -0.88 -4.83 115.26 112.72 1mbh n ASN 139 Ca 0.00 -0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.93 1mbh n ASN 139 Cb 0.00 -0.20 0.00 0.00 1.23 0.00 0.00 39.78 40.81 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1mbh n PRO 140 N 1.94 0.00 0.00 1.20 -0.04 -1.26 -5.08 135.00 131.76 1mbh n PRO 140 Ca 0.20 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1mbh n PRO 140 Cb 0.03 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85