#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 3.85 -0.50 -0.08 -1.09 -1.26 -4.81 121.20 117.31 1mbh s ILE 91 Ca 0.00 -1.42 -0.06 0.00 -2.23 0.00 0.00 60.65 56.94 1mbh s ILE 91 Cb 0.00 -4.90 -0.11 0.00 -1.58 0.00 0.00 42.46 35.87 1mbh s ILE 91 CO 0.00 -1.54 3.17 1.17 -1.23 0.00 0.00 174.94 176.51 1mbh n LYS 92 N 8.36 2.61 -1.48 2.79 3.00 -1.26 -4.93 118.16 127.26 1mbh n LYS 92 Ca 0.47 -1.80 -0.29 0.00 -0.00 0.00 0.00 58.31 56.68 1mbh n LYS 92 Cb 0.46 -2.22 0.17 0.00 0.00 0.00 0.00 35.03 33.45 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1mbh s GLY 93 N 1.39 1.61 0.00 3.14 0.00 -1.26 -4.89 107.32 107.31 1mbh s GLY 93 Ca 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1mbh s GLY 93 CO -0.08 -0.06 0.45 -1.55 0.00 0.00 0.00 173.10 171.86 1mbh n PRO 94 N -4.03 0.71 -0.73 2.90 -0.04 -1.26 -4.98 135.00 127.57 1mbh n PRO 94 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1mbh n PRO 94 Cb 0.59 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.03 -2.80 -4.16 0.54 7.02 -1.26 -4.95 117.44 111.79 1mbh n TRP 95 Ca 0.00 0.91 -0.12 0.00 -1.02 0.00 0.00 57.50 57.27 1mbh n TRP 95 Cb 0.13 -1.56 -0.10 0.00 -2.42 0.00 0.00 31.31 27.35 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 -1.16 0.75 0.22 -0.99 -4.23 -1.26 -5.05 115.64 103.92 1mbh s THR 96 Ca 0.00 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1mbh s THR 96 Cb 0.00 -1.52 0.18 0.00 1.34 0.00 0.00 72.50 72.50 1mbh s THR 96 CO 0.00 -0.76 1.86 0.50 -0.54 0.00 0.00 174.62 175.68 1mbh h LYS 97 N 3.22 0.94 -0.22 3.99 3.64 -1.99 -0.19 116.57 125.97 1mbh h LYS 97 Ca -0.36 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 1mbh h LYS 97 Cb 1.18 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1mbh h LYS 97 CO 0.60 0.62 -0.13 1.49 -2.27 0.00 0.00 179.45 179.76 1mbh h GLU 98 N 0.97 0.48 -0.39 1.90 4.22 -1.98 0.12 114.58 119.90 1mbh h GLU 98 Ca 0.32 -0.22 0.04 0.00 0.08 0.00 0.00 59.36 59.58 1mbh h GLU 98 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1mbh h GLU 98 CO -0.12 0.77 0.17 1.49 -2.18 0.00 0.00 179.01 179.14 1mbh h GLU 99 N 0.18 0.34 -0.25 1.92 4.81 -1.88 0.18 114.58 119.87 1mbh h GLU 99 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1mbh h GLU 99 Cb 0.64 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1mbh h GLU 99 CO 0.04 0.23 0.15 -0.44 -0.73 0.00 0.00 179.01 178.26 1mbh h ASP 100 N 0.35 0.26 -0.82 1.04 3.32 -0.96 -1.65 116.42 117.96 1mbh h ASP 100 Ca 0.17 -0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.34 1mbh h ASP 100 Cb 0.12 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1mbh h ASP 100 CO -0.15 0.19 0.53 -0.61 -1.72 0.00 0.00 179.24 177.48 1mbh h GLN 101 N 0.32 0.67 -0.36 3.56 5.75 -0.12 0.13 115.11 125.05 1mbh h GLN 101 Ca 0.10 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1mbh h GLN 101 Cb -0.02 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1mbh h GLN 101 CO -0.04 0.44 0.19 -0.09 -2.65 0.00 0.00 178.83 176.69 1mbh h ARG 102 N 0.69 0.51 -0.49 1.69 9.65 0.24 -0.86 114.38 125.81 1mbh h ARG 102 Ca 0.39 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.18 1mbh h ARG 102 Cb 0.57 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1mbh h ARG 102 CO -0.16 0.43 0.20 0.28 2.80 0.00 0.00 179.97 183.52 1mbh h VAL 103 N 0.46 1.21 -0.10 0.20 2.07 -0.57 -0.74 116.25 118.77 1mbh h VAL 103 Ca 0.13 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1mbh h VAL 103 Cb 0.07 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1mbh h VAL 103 CO -0.02 0.24 -0.24 0.40 0.02 0.00 0.00 177.57 177.97 1mbh h ILE 104 N 0.65 0.43 0.49 4.57 2.04 -0.69 0.17 117.51 125.16 1mbh h ILE 104 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1mbh h ILE 104 Cb 0.19 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1mbh h ILE 104 CO -0.01 0.00 -0.35 -0.08 0.00 0.00 0.00 178.15 177.71 1mbh h GLU 105 N -0.32 -0.78 -0.52 2.37 4.81 -0.95 -1.00 114.58 118.18 1mbh h GLU 105 Ca 0.09 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1mbh h GLU 105 Cb 0.46 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1mbh h GLU 105 CO -0.28 -0.52 0.30 -0.07 -0.73 0.00 0.00 179.01 177.70 1mbh h LEU 106 N -0.81 0.46 -0.71 1.64 3.38 -0.93 -0.91 115.31 117.42 1mbh h LEU 106 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1mbh h LEU 106 Cb 0.68 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1mbh h LEU 106 CO 0.02 0.32 0.39 0.58 0.09 0.00 0.00 178.44 179.84 1mbh h VAL 107 N 0.58 1.22 0.00 1.22 2.07 -0.59 0.31 116.25 121.07 1mbh h VAL 107 Ca 0.22 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1mbh h VAL 107 Cb 0.07 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1mbh h VAL 107 CO -0.12 0.24 -0.18 -0.61 0.02 0.00 0.00 177.57 176.92 1mbh h GLN 108 N 0.98 0.00 0.02 1.57 4.15 -0.56 0.33 115.11 121.60 1mbh h GLN 108 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 1mbh h GLN 108 Cb 0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1mbh h GLN 108 CO -0.04 0.18 -0.01 -0.22 -1.93 0.00 0.00 178.83 176.81 1mbh h LYS 109 N 0.00 -0.03 0.00 1.69 3.64 -0.09 -3.43 116.57 118.35 1mbh h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mbh h LYS 109 Cb 0.47 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1mbh h LYS 109 CO 0.02 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.36 1mbh n TYR 110 N -4.72 0.00 0.00 1.91 4.01 -0.01 -5.10 117.16 113.25 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 0.26 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.77 1.16 2.72 0.00 0.12 -4.95 105.19 106.92 1mbh n GLY 111 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.11 0.65 -3.03 1.61 -0.04 -1.26 -4.61 135.00 127.21 1mbh n PRO 112 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1mbh n PRO 112 Cb 0.00 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.91 0.30 -3.76 0.54 4.01 -1.26 -4.92 118.16 113.98 1mbh n LYS 113 Ca 0.00 -1.53 -0.23 0.00 -0.51 0.00 0.00 58.31 56.04 1mbh n LYS 113 Cb 0.33 1.17 0.02 0.00 -0.51 0.00 0.00 35.03 36.03 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1mbh n ARG 114 N -0.31 -4.10 0.30 1.97 1.74 -1.26 -4.84 116.66 110.16 1mbh n ARG 114 Ca 0.02 0.55 0.18 0.00 -0.77 0.00 0.00 57.85 57.84 1mbh n ARG 114 Cb 0.28 -4.93 0.95 0.00 -1.02 0.00 0.00 32.46 27.74 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 -0.61 -1.55 4.06 -1.92 -1.00 115.95 113.09 1mbh h TRP 115 Ca -0.62 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.26 1mbh h TRP 115 Cb 1.36 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.46 0.03 0.12 0.77 -3.56 0.00 0.00 178.44 176.26 1mbh h SER 116 N 0.00 0.95 -0.07 -3.49 0.02 -1.90 0.61 113.55 109.66 1mbh h SER 116 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1mbh h SER 116 Cb 0.19 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1mbh h SER 116 CO 0.00 0.95 -0.00 0.58 -1.14 0.00 0.00 176.83 177.22 1mbh h VAL 117 N 0.90 1.26 -0.65 2.27 2.07 -1.55 -0.31 116.25 120.24 1mbh h VAL 117 Ca 0.19 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1mbh h VAL 117 Cb 0.39 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1mbh h VAL 117 CO 0.01 0.23 0.39 0.40 0.02 0.00 0.00 177.57 178.62 1mbh h ILE 118 N -0.16 1.05 -0.73 4.57 2.04 -1.39 -2.25 117.51 120.65 1mbh h ILE 118 Ca 0.02 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1mbh h ILE 118 Cb 0.36 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1mbh h ILE 118 CO 0.00 0.14 0.21 0.00 0.00 0.00 0.00 178.15 178.50 1mbh h ALA 119 N 1.30 0.95 -0.07 1.87 0.00 -0.75 -0.53 119.26 122.02 1mbh h ALA 119 Ca 0.27 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mbh h ALA 119 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1mbh h ALA 119 CO -0.12 0.65 0.07 0.87 0.00 0.00 0.00 179.25 180.72 1mbh h LYS 120 N 1.08 0.00 0.08 0.00 1.57 -0.45 -2.05 116.57 116.81 1mbh h LYS 120 Ca 0.23 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.73 1mbh h LYS 120 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1mbh h LYS 120 CO -0.00 0.00 -1.51 0.45 -0.57 0.00 0.00 179.45 177.81 1mbh h HIS 121 N 0.00 0.32 -0.13 -1.35 3.86 -1.19 -3.38 115.15 113.28 1mbh h HIS 121 Ca 0.03 -0.24 -0.70 0.00 -1.16 0.00 0.00 60.37 58.31 1mbh h HIS 121 Cb 0.18 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1mbh h HIS 121 CO 0.00 1.59 3.34 -0.11 0.86 0.00 0.00 177.93 183.61 1mbh n LEU 122 N -3.95 7.68 -4.65 2.43 7.94 -0.26 -4.95 117.00 121.24 1mbh n LEU 122 Ca -0.29 -4.30 -0.51 0.00 -1.11 0.00 0.00 56.01 49.81 1mbh n LEU 122 Cb 0.87 -1.60 -0.06 0.00 0.53 0.00 0.00 43.42 43.17 1mbh n LEU 122 CO 0.35 1.56 1.18 0.29 -1.11 0.00 0.00 177.39 179.66 1mbh n LYS 123 N 4.76 1.61 0.00 1.96 4.76 -1.21 -1.72 118.16 128.33 1mbh n LYS 123 Ca 0.63 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.65 1mbh n LYS 123 Cb 0.32 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mbh n GLY 124 N 3.47 0.81 4.02 0.72 0.00 -1.26 -5.10 105.19 107.84 1mbh n GLY 124 Ca 0.21 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 2.49 0.42 1.61 1.81 -0.70 -4.88 118.95 119.70 1mbh s ARG 125 Ca 0.00 -1.35 0.04 0.00 -1.72 0.00 0.00 55.73 52.70 1mbh s ARG 125 Cb 0.00 -2.65 -0.01 0.00 -0.45 0.00 0.00 34.95 31.83 1mbh s ARG 125 CO 0.00 -0.65 0.14 0.44 -0.68 0.00 0.00 175.30 174.55 1mbh n ILE 126 N -2.14 0.00 -1.02 1.52 -5.35 -1.26 -4.84 119.36 106.27 1mbh n ILE 126 Ca 0.12 -2.40 -0.20 0.00 -0.27 0.00 0.00 62.75 60.00 1mbh n ILE 126 Cb 0.60 0.83 -0.11 0.00 -1.74 0.00 0.00 39.64 39.23 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mbh n GLY 127 N -0.85 3.27 1.91 3.28 0.00 -1.26 -3.14 105.19 108.40 1mbh n GLY 127 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1mbh n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mbh n LYS 128 N 2.95 0.00 0.04 1.61 0.00 -1.26 -4.86 118.16 116.64 1mbh n LYS 128 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.72 1mbh n LYS 128 Cb 0.62 -0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.61 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1mbh h GLN 129 N 0.00 -0.33 0.18 1.64 1.08 -1.95 0.14 115.11 115.86 1mbh h GLN 129 Ca 0.00 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1mbh h GLN 129 Cb 0.00 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1mbh h GLN 129 CO 0.00 -0.22 -0.21 0.00 -0.95 0.00 0.00 178.83 177.45 1mbh h ARG 131 N -0.44 0.10 0.42 0.00 1.12 -1.79 -0.68 114.38 113.11 1mbh h ARG 131 Ca 0.01 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1mbh h ARG 131 Cb 0.42 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1mbh h ARG 131 CO -0.07 0.06 -0.20 1.49 -3.11 0.00 0.00 179.97 178.14 1mbh h GLU 132 N 0.10 -0.54 -1.01 0.20 4.81 -0.52 0.61 114.58 118.22 1mbh h GLU 132 Ca 0.17 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.68 1mbh h GLU 132 Cb 0.23 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.62 1mbh h GLU 132 CO -0.28 -0.30 0.61 -0.09 -0.73 0.00 0.00 179.01 178.22 1mbh h ARG 133 N -0.67 0.55 0.26 1.92 9.65 -0.51 -2.74 114.38 122.84 1mbh h ARG 133 Ca -0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1mbh h ARG 133 Cb 0.49 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1mbh h ARG 133 CO 0.09 0.36 -0.13 2.35 2.80 0.00 0.00 179.97 185.45 1mbh h TRP 134 N 0.56 -0.33 0.00 2.20 2.91 -0.75 -3.03 115.95 117.51 1mbh h TRP 134 Ca 0.63 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.64 1mbh h TRP 134 Cb 1.25 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 1mbh h TRP 134 CO -0.01 -0.20 0.00 0.72 -1.03 0.00 0.00 178.44 177.92 1mbh n HIS 135 N -4.88 0.00 0.07 2.65 8.25 0.17 -3.17 115.22 118.31 1mbh n HIS 135 Ca -0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1mbh n HIS 135 Cb 0.14 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 0.59 -0.01 0.02 0.41 3.02 -1.06 -4.99 115.26 113.23 1mbh n ASN 136 Ca 0.00 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.77 1mbh n ASN 136 Cb 0.36 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.69 1mbh n ASN 136 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1mbh h HIS 137 N 0.00 -0.12 -3.55 3.10 3.86 -1.61 -3.48 115.15 113.35 1mbh h HIS 137 Ca 0.00 -0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.93 1mbh h HIS 137 Cb 0.00 0.04 -0.32 0.00 1.06 0.00 0.00 27.41 28.19 1mbh h HIS 137 CO 0.00 -0.08 -0.71 -0.48 0.86 0.00 0.00 177.93 177.52 1mbh s LEU 138 N -7.84 1.30 -0.49 2.43 2.34 -1.19 -5.06 118.68 110.17 1mbh s LEU 138 Ca -0.02 0.06 0.06 0.00 0.06 0.00 0.00 54.13 54.29 1mbh s LEU 138 Cb 0.00 -0.00 0.24 0.00 -0.56 0.00 0.00 46.19 45.87 1mbh s LEU 138 CO 0.06 -0.09 0.88 -3.20 -1.06 0.00 0.00 176.35 172.93 1mbh n ASN 139 N 3.86 -2.85 0.00 1.48 5.15 -1.25 -4.50 115.26 117.14 1mbh n ASN 139 Ca -0.23 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.47 1mbh n ASN 139 Cb 0.53 1.78 0.00 0.00 -0.53 0.00 0.00 39.78 41.56 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mbh n PRO 140 N 1.68 0.00 -0.18 1.20 -0.04 -1.26 -5.10 135.00 131.30 1mbh n PRO 140 Ca 0.10 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1mbh n PRO 140 Cb 0.63 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85