#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 4.84 0.17 -0.08 -1.09 -1.26 -5.02 121.20 118.75 1mbh s ILE 91 Ca 0.00 2.02 -0.17 0.00 -2.23 0.00 0.00 60.65 60.27 1mbh s ILE 91 Cb 0.00 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1mbh s ILE 91 CO 0.00 0.09 0.47 -1.59 -1.23 0.00 0.00 174.94 172.68 1mbh s LYS 92 N 1.49 1.25 0.00 2.79 0.00 -1.26 -4.42 119.74 119.59 1mbh s LYS 92 Ca 0.49 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 55.66 1mbh s LYS 92 Cb -0.20 0.50 0.00 0.00 0.00 0.00 0.00 37.83 38.13 1mbh s LYS 92 CO 0.23 -0.52 0.00 0.41 0.00 0.00 0.00 175.35 175.47 1mbh n GLY 93 N -0.30 3.43 0.00 0.59 0.00 -1.26 -5.01 105.19 102.64 1mbh n GLY 93 Ca -0.12 -1.27 0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 0.60 -1.22 1.61 -0.04 -1.26 -4.99 135.00 129.70 1mbh n PRO 94 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1mbh n PRO 94 Cb 0.00 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.97 -3.25 -4.19 0.54 7.02 -1.26 -5.03 117.44 110.30 1mbh n TRP 95 Ca 0.14 1.76 -0.11 0.00 -1.02 0.00 0.00 57.50 58.26 1mbh n TRP 95 Cb 0.06 -2.95 -0.10 0.00 -2.42 0.00 0.00 31.31 25.90 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 -3.69 0.73 0.23 -0.99 -4.23 -1.26 -5.04 115.64 101.40 1mbh s THR 96 Ca 0.00 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.49 1mbh s THR 96 Cb 0.00 -1.78 0.19 0.00 1.34 0.00 0.00 72.50 72.25 1mbh s THR 96 CO 0.00 -0.79 1.82 0.50 -0.54 0.00 0.00 174.62 175.62 1mbh h LYS 97 N 2.90 0.79 -0.01 3.99 3.64 -1.98 0.04 116.57 125.93 1mbh h LYS 97 Ca -0.36 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1mbh h LYS 97 Cb 1.17 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.64 0.52 0.00 1.49 -2.27 0.00 0.00 179.45 179.84 1mbh h GLU 98 N 0.82 0.02 -0.63 1.90 4.81 -1.98 0.21 114.58 119.73 1mbh h GLU 98 Ca 0.36 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 1mbh h GLU 98 Cb 0.25 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1mbh h GLU 98 CO -0.21 0.27 0.26 0.93 -0.73 0.00 0.00 179.01 179.53 1mbh h GLU 99 N -0.23 0.45 -0.56 1.92 5.08 -1.85 -0.22 114.58 119.17 1mbh h GLU 99 Ca 0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1mbh h GLU 99 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mbh h GLU 99 CO 0.00 0.30 0.08 -0.44 -1.00 0.00 0.00 179.01 177.95 1mbh h ASP 100 N 0.46 0.91 -0.92 1.42 3.32 -0.85 -2.86 116.42 117.91 1mbh h ASP 100 Ca 0.31 -0.27 0.12 0.00 0.02 0.00 0.00 57.03 57.21 1mbh h ASP 100 Cb 0.36 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 1mbh h ASP 100 CO -0.29 0.95 0.55 -0.61 -1.72 0.00 0.00 179.24 178.12 1mbh h GLN 101 N 0.83 0.84 -0.11 3.56 5.75 0.11 0.63 115.11 126.72 1mbh h GLN 101 Ca 0.17 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1mbh h GLN 101 Cb 0.43 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1mbh h GLN 101 CO 0.01 0.56 0.06 0.00 -2.65 0.00 0.00 178.83 176.81 1mbh h ARG 102 N 0.87 0.16 -0.28 1.69 3.08 -0.98 -0.27 114.38 118.64 1mbh h ARG 102 Ca 0.46 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.49 1mbh h ARG 102 Cb 0.47 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1mbh h ARG 102 CO -0.27 0.20 0.18 0.28 -1.07 0.00 0.00 179.97 179.29 1mbh h VAL 103 N 0.08 1.09 -0.21 2.04 2.07 -1.17 0.10 116.25 120.24 1mbh h VAL 103 Ca 0.04 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1mbh h VAL 103 Cb 0.09 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1mbh h VAL 103 CO -0.01 0.09 -0.08 0.40 0.02 0.00 0.00 177.57 178.00 1mbh h ILE 104 N 0.37 0.73 -0.39 4.57 2.04 -0.73 0.52 117.51 124.62 1mbh h ILE 104 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1mbh h ILE 104 Cb -0.00 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1mbh h ILE 104 CO -0.02 0.00 0.25 -0.08 0.00 0.00 0.00 178.15 178.30 1mbh h GLU 105 N -0.04 0.53 -0.53 2.37 4.57 -0.77 -0.43 114.58 120.27 1mbh h GLU 105 Ca 0.11 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1mbh h GLU 105 Cb 0.20 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1mbh h GLU 105 CO -0.24 0.38 0.21 -0.07 -1.18 0.00 0.00 179.01 178.11 1mbh h LEU 106 N 0.52 0.70 -0.30 1.64 3.38 -0.47 0.13 115.31 120.92 1mbh h LEU 106 Ca 0.14 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1mbh h LEU 106 Cb -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1mbh h LEU 106 CO -0.03 0.63 -0.42 0.58 0.09 0.00 0.00 178.44 179.29 1mbh h VAL 107 N 0.76 1.29 -0.45 1.22 2.07 -0.49 -0.08 116.25 120.56 1mbh h VAL 107 Ca 0.18 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1mbh h VAL 107 Cb 0.15 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1mbh h VAL 107 CO -0.02 0.52 0.15 -0.61 0.02 0.00 0.00 177.57 177.63 1mbh h GLN 108 N 0.58 0.66 0.53 1.57 4.15 -0.49 0.24 115.11 122.35 1mbh h GLN 108 Ca 0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1mbh h GLN 108 Cb 1.02 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.60 1mbh h GLN 108 CO 0.10 0.57 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.09 1mbh h LYS 109 N 0.65 -0.69 0.00 1.69 3.64 -0.49 -3.42 116.57 117.95 1mbh h LYS 109 Ca 0.15 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1mbh h LYS 109 Cb 0.18 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1mbh h LYS 109 CO -0.01 -0.43 0.00 0.66 -2.27 0.00 0.00 179.45 177.40 1mbh n TYR 110 N -5.26 0.00 -1.23 1.91 4.01 -0.07 -5.09 117.16 111.44 1mbh n TYR 110 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1mbh n TYR 110 Cb 0.30 -0.27 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 1.85 -0.25 3.56 2.72 0.00 0.84 -5.03 105.19 108.88 1mbh n GLY 111 Ca 0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.83 -0.31 3.83 1.61 0.04 -1.26 -4.65 135.00 132.43 1mbh s PRO 112 Ca 0.00 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1mbh s PRO 112 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1mbh s PRO 112 CO 0.00 -3.33 0.00 1.63 0.04 0.00 0.00 177.00 175.34 1mbh n LYS 113 N -4.64 0.00 -4.04 4.56 4.76 -1.26 -4.89 118.16 112.65 1mbh n LYS 113 Ca 0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 1mbh n LYS 113 Cb 0.54 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.73 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 -4.21 0.29 1.97 1.74 -1.26 -4.83 116.66 110.36 1mbh n ARG 114 Ca 0.00 0.48 0.18 0.00 -0.77 0.00 0.00 57.85 57.74 1mbh n ARG 114 Cb 0.00 -5.18 0.81 0.00 -1.02 0.00 0.00 32.46 27.06 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 -1.80 0.00 -0.37 -1.55 4.06 -1.92 -2.12 115.95 112.26 1mbh h TRP 115 Ca -0.59 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.28 1mbh h TRP 115 Cb 1.38 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.58 0.02 -0.06 0.77 -3.56 0.00 0.00 178.44 176.19 1mbh h SER 116 N 0.00 0.69 -0.04 -3.49 0.02 -1.93 0.11 113.55 108.91 1mbh h SER 116 Ca -0.00 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1mbh h SER 116 Cb 0.39 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1mbh h SER 116 CO 0.00 0.88 -0.02 0.58 -1.14 0.00 0.00 176.83 177.13 1mbh h VAL 117 N 0.49 1.32 -0.64 2.27 2.07 -1.79 -1.80 116.25 118.17 1mbh h VAL 117 Ca 0.10 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1mbh h VAL 117 Cb 0.56 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1mbh h VAL 117 CO 0.03 0.27 0.38 0.40 0.02 0.00 0.00 177.57 178.66 1mbh h ILE 118 N -0.31 1.02 -0.77 4.57 2.04 -1.39 -2.21 117.51 120.46 1mbh h ILE 118 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1mbh h ILE 118 Cb 0.44 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1mbh h ILE 118 CO 0.01 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.62 1mbh h ALA 119 N 1.31 1.14 0.00 1.87 0.00 -0.73 0.52 119.26 123.36 1mbh h ALA 119 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mbh h ALA 119 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1mbh h ALA 119 CO -0.14 0.63 0.00 0.87 0.00 0.00 0.00 179.25 180.61 1mbh h LYS 120 N 1.11 0.00 0.00 0.00 1.57 -0.68 -2.37 116.57 116.20 1mbh h LYS 120 Ca 0.26 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.62 1mbh h LYS 120 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 1mbh h LYS 120 CO -0.03 0.00 -2.43 0.72 -0.57 0.00 0.00 179.45 177.14 1mbh n HIS 121 N -2.85 0.11 -1.63 -1.35 8.25 -0.72 -4.54 115.22 112.49 1mbh n HIS 121 Ca -0.03 0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1mbh n HIS 121 Cb 0.06 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.15 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 -3.92 7.80 -4.62 2.41 -0.00 0.09 -4.96 117.00 113.80 1mbh n LEU 122 Ca -0.50 -4.36 -0.45 0.00 -0.00 0.00 0.00 56.01 50.70 1mbh n LEU 122 Cb 0.91 -1.57 -0.02 0.00 -0.00 0.00 0.00 43.42 42.74 1mbh n LEU 122 CO 0.13 1.65 0.74 0.29 -0.00 0.00 0.00 177.39 180.20 1mbh n LYS 123 N 4.37 1.60 0.00 1.96 5.02 -1.16 -1.67 118.16 128.27 1mbh n LYS 123 Ca 0.64 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.49 1mbh n LYS 123 Cb 0.30 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 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 1.45 3.08 3.34 0.72 0.00 -1.26 -4.97 105.19 107.55 1mbh n GLY 124 Ca 0.10 -0.86 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 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 3.12 0.79 1.61 1.81 -0.67 -4.06 118.95 121.55 1mbh s ARG 125 Ca 0.00 -1.70 -0.13 0.00 -1.72 0.00 0.00 55.73 52.18 1mbh s ARG 125 Cb 0.00 -4.33 0.20 0.00 -0.45 0.00 0.00 34.95 30.36 1mbh s ARG 125 CO 0.00 -1.41 0.71 0.44 -0.68 0.00 0.00 175.30 174.36 1mbh n ILE 126 N 5.16 0.00 -0.21 1.52 -5.35 -1.26 -4.50 119.36 114.72 1mbh n ILE 126 Ca -0.07 -0.32 0.18 0.00 -0.27 0.00 0.00 62.75 62.27 1mbh n ILE 126 Cb 0.42 -1.16 0.52 0.00 -1.74 0.00 0.00 39.64 37.68 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 -1.92 0.77 0.74 3.28 0.00 -1.94 -1.44 103.07 102.57 1mbh h GLY 127 Ca -0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1mbh h GLY 127 CO 0.17 0.02 -0.18 1.70 0.00 0.00 0.00 176.54 178.26 1mbh h LYS 128 N 0.39 -0.47 -0.24 4.80 1.63 -1.93 -0.20 116.57 120.55 1mbh h LYS 128 Ca 0.43 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.29 1mbh h LYS 128 Cb 1.07 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.78 1mbh h LYS 128 CO -0.15 -0.18 0.08 1.96 -3.45 0.00 0.00 179.45 177.71 1mbh h GLN 129 N -0.75 0.18 0.20 1.90 7.50 -1.71 0.09 115.11 122.53 1mbh h GLN 129 Ca -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1mbh h GLN 129 Cb 0.51 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1mbh h GLN 129 CO 0.08 0.12 -0.10 0.00 -1.50 0.00 0.00 178.83 177.44 1mbh h ARG 131 N -0.34 0.22 -0.28 0.00 1.12 -0.88 -2.26 114.38 111.96 1mbh h ARG 131 Ca -0.03 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1mbh h ARG 131 Cb 0.27 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1mbh h ARG 131 CO 0.05 0.15 0.11 1.49 -3.11 0.00 0.00 179.97 178.66 1mbh h GLU 132 N 0.23 0.41 -0.64 0.20 4.81 -0.89 0.62 114.58 119.33 1mbh h GLU 132 Ca 0.14 -0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 1mbh h GLU 132 Cb 0.11 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1mbh h GLU 132 CO -0.14 0.43 0.44 -0.09 -0.73 0.00 0.00 179.01 178.92 1mbh h ARG 133 N 0.30 0.20 0.00 1.92 9.65 -0.72 -2.99 114.38 122.75 1mbh h ARG 133 Ca 0.09 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1mbh h ARG 133 Cb 0.17 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1mbh h ARG 133 CO -0.01 0.13 -0.33 2.35 2.80 0.00 0.00 179.97 184.92 1mbh h TRP 134 N 0.21 0.00 0.00 2.20 2.91 -0.82 -3.26 115.95 117.18 1mbh h TRP 134 Ca 0.31 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.33 1mbh h TRP 134 Cb 0.92 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1mbh h TRP 134 CO -0.00 0.42 0.00 0.72 -1.03 0.00 0.00 178.44 178.55 1mbh n HIS 135 N -4.65 0.00 0.07 2.65 8.25 0.16 -3.51 115.22 118.19 1mbh n HIS 135 Ca -0.09 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1mbh n HIS 135 Cb 0.27 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.72 -0.34 0.00 0.41 3.02 -1.16 -4.99 115.26 112.91 1mbh n ASN 136 Ca 0.00 0.26 -0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1mbh n ASN 136 Cb 0.36 0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 39.98 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 -0.01 -3.15 3.10 3.86 -1.66 -3.46 115.15 113.83 1mbh h HIS 137 Ca 0.00 -0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1mbh h HIS 137 Cb 0.00 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.12 1mbh h HIS 137 CO 0.00 -0.01 -0.85 -0.48 0.86 0.00 0.00 177.93 177.45 1mbh s LEU 138 N -4.35 1.92 -0.42 2.43 2.34 -1.23 -5.03 118.68 114.34 1mbh s LEU 138 Ca -0.00 -0.55 0.08 0.00 0.06 0.00 0.00 54.13 53.72 1mbh s LEU 138 Cb 0.00 -1.31 0.26 0.00 -0.56 0.00 0.00 46.19 44.58 1mbh s LEU 138 CO 0.00 0.01 0.68 -3.20 -1.06 0.00 0.00 176.35 172.78 1mbh n ASN 139 N 4.44 -0.76 -0.21 1.48 2.85 -1.25 -4.48 115.26 117.33 1mbh n ASN 139 Ca -0.19 -2.96 0.02 0.00 -0.11 0.00 0.00 54.58 51.33 1mbh n ASN 139 Cb 0.51 0.20 0.26 0.00 1.24 0.00 0.00 39.78 41.99 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 3.82 0.95 0.00 1.20 0.13 -1.96 -3.52 132.00 132.63 1mbh h PRO 140 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1mbh h PRO 140 Cb 0.95 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1mbh h PRO 140 CO 0.41 0.63 0.00 0.39 -0.23 0.00 0.00 178.00 179.20