#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 3.47 -1.23 1.47 -1.09 -1.26 -4.91 121.20 117.64 1mbh s ILE 91 Ca 0.00 1.25 -0.20 0.00 -2.23 0.00 0.00 60.65 59.47 1mbh s ILE 91 Cb 0.00 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1mbh s ILE 91 CO 0.00 0.21 1.86 2.29 -1.23 0.00 0.00 174.94 178.07 1mbh n LYS 92 N 2.38 2.40 -1.32 2.79 2.85 -1.26 -4.09 118.16 121.91 1mbh n LYS 92 Ca 0.04 -2.82 0.00 0.00 -1.05 0.00 0.00 58.31 54.48 1mbh n LYS 92 Cb 0.44 -3.56 0.00 0.00 -0.65 0.00 0.00 35.03 31.26 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mbh n GLY 93 N 5.45 -2.11 3.56 2.58 0.00 -1.26 -4.87 105.19 108.54 1mbh n GLY 93 Ca 0.47 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1mbh n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 94 N -0.20 1.89 0.43 1.61 0.05 -1.26 -4.68 135.00 132.83 1mbh s PRO 94 Ca 0.00 0.75 0.00 0.00 0.05 0.00 0.00 61.00 61.80 1mbh s PRO 94 Cb 0.00 -4.72 0.00 0.00 0.05 0.00 0.00 34.50 29.83 1mbh s PRO 94 CO 0.00 -3.89 0.00 0.91 0.05 0.00 0.00 177.00 174.07 1mbh n TRP 95 N 17.12 -3.08 -4.11 0.56 7.02 -1.26 -5.03 117.44 128.66 1mbh n TRP 95 Ca 0.42 1.64 -0.08 0.00 -1.02 0.00 0.00 57.50 58.45 1mbh n TRP 95 Cb 0.48 -2.80 -0.10 0.00 -2.42 0.00 0.00 31.31 26.47 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 -3.30 0.35 0.29 -0.99 -4.23 -1.26 -5.05 115.64 101.44 1mbh s THR 96 Ca 0.00 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1mbh s THR 96 Cb 0.00 -1.51 0.27 0.00 1.34 0.00 0.00 72.50 72.60 1mbh s THR 96 CO 0.00 -0.94 1.92 0.50 -0.54 0.00 0.00 174.62 175.56 1mbh h LYS 97 N 3.17 1.08 0.34 3.99 3.64 -1.98 -0.04 116.57 126.77 1mbh h LYS 97 Ca -0.34 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1mbh h LYS 97 Cb 1.15 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1mbh h LYS 97 CO 0.64 0.72 -0.16 1.49 -2.27 0.00 0.00 179.45 179.87 1mbh h GLU 98 N 1.11 -0.44 -0.54 1.90 4.22 -1.98 0.52 114.58 119.37 1mbh h GLU 98 Ca 0.37 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.92 1mbh h GLU 98 Cb 0.07 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1mbh h GLU 98 CO -0.12 -0.15 0.20 1.49 -2.18 0.00 0.00 179.01 178.24 1mbh h GLU 99 N -0.71 0.36 -0.42 1.92 4.81 -1.91 0.82 114.58 119.46 1mbh h GLU 99 Ca -0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1mbh h GLU 99 Cb 0.49 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1mbh h GLU 99 CO 0.08 0.24 0.26 -0.44 -0.73 0.00 0.00 179.01 178.41 1mbh h ASP 100 N 0.38 0.50 -0.81 1.04 3.32 -0.94 -1.30 116.42 118.61 1mbh h ASP 100 Ca 0.27 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.32 1mbh h ASP 100 Cb 0.30 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1mbh h ASP 100 CO -0.27 0.41 0.49 -0.61 -1.72 0.00 0.00 179.24 177.54 1mbh h GLN 101 N 0.56 0.88 -0.29 3.56 -0.00 0.13 0.94 115.11 120.89 1mbh h GLN 101 Ca 0.15 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.78 1mbh h GLN 101 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.24 1mbh h GLN 101 CO -0.03 0.58 0.08 -0.09 0.00 0.00 0.00 178.83 179.38 1mbh h ARG 102 N 0.91 0.20 -0.43 1.69 2.43 -0.22 -1.45 114.38 117.50 1mbh h ARG 102 Ca 0.35 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1mbh h ARG 102 Cb 0.16 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1mbh h ARG 102 CO -0.17 0.13 0.20 0.28 -1.51 0.00 0.00 179.97 178.90 1mbh h VAL 103 N 0.20 1.18 -0.55 0.20 2.07 -0.34 -1.02 116.25 118.00 1mbh h VAL 103 Ca 0.13 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1mbh h VAL 103 Cb 0.11 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1mbh h VAL 103 CO -0.15 0.20 0.13 0.40 0.02 0.00 0.00 177.57 178.18 1mbh h ILE 104 N 0.56 0.71 -0.14 4.57 2.04 -0.38 0.33 117.51 125.21 1mbh h ILE 104 Ca 0.15 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1mbh h ILE 104 Cb 0.13 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1mbh h ILE 104 CO -0.02 0.05 0.02 -0.08 0.00 0.00 0.00 178.15 178.12 1mbh h GLU 105 N 0.28 0.23 -0.22 2.37 4.57 -1.00 -0.36 114.58 120.44 1mbh h GLU 105 Ca 0.28 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1mbh h GLU 105 Cb 0.37 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1mbh h GLU 105 CO -0.34 0.42 0.03 -0.07 -1.18 0.00 0.00 179.01 177.87 1mbh h LEU 106 N -0.00 0.29 -0.18 1.64 3.38 -0.56 0.56 115.31 120.45 1mbh h LEU 106 Ca 0.04 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1mbh h LEU 106 Cb 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1mbh h LEU 106 CO 0.00 0.33 -0.33 0.58 0.09 0.00 0.00 178.44 179.11 1mbh h VAL 107 N 0.32 1.34 -0.47 1.22 2.07 -0.16 0.03 116.25 120.60 1mbh h VAL 107 Ca 0.08 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.04 1mbh h VAL 107 Cb 0.18 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1mbh h VAL 107 CO 0.00 0.48 0.31 -0.61 0.02 0.00 0.00 177.57 177.77 1mbh h GLN 108 N 0.20 0.57 0.42 1.57 4.15 -0.34 0.24 115.11 121.92 1mbh h GLN 108 Ca 0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1mbh h GLN 108 Cb 0.93 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1mbh h GLN 108 CO 0.08 0.38 -0.20 -0.22 -1.93 0.00 0.00 178.83 176.93 1mbh h LYS 109 N 0.59 -0.54 0.00 1.69 3.64 -0.68 -3.43 116.57 117.85 1mbh h LYS 109 Ca 0.18 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1mbh h LYS 109 Cb 0.01 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1mbh h LYS 109 CO -0.04 -0.30 0.00 0.66 -2.27 0.00 0.00 179.45 177.50 1mbh n TYR 110 N -5.15 0.00 0.00 1.91 4.01 -0.02 -5.10 117.16 112.81 1mbh n TYR 110 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1mbh n TYR 110 Cb 0.25 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 2.09 -0.49 1.37 2.72 0.00 0.83 -4.94 105.19 106.76 1mbh n GLY 111 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.79 -3.55 1.61 -0.04 -1.26 -4.63 135.00 126.80 1mbh n PRO 112 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1mbh n PRO 112 Cb 0.00 -1.10 -0.03 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 1.22 0.52 -3.67 0.54 5.02 -1.26 -4.94 118.16 115.59 1mbh n LYS 113 Ca 0.00 -2.32 -0.22 0.00 -2.02 0.00 0.00 58.31 53.75 1mbh n LYS 113 Cb 0.40 2.16 0.05 0.00 -0.02 0.00 0.00 35.03 37.62 1mbh n LYS 113 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1mbh n ARG 114 N -0.47 -5.57 0.23 1.97 0.63 -1.26 -4.84 116.66 107.34 1mbh n ARG 114 Ca 0.02 0.68 0.16 0.00 -0.92 0.00 0.00 57.85 57.78 1mbh n ARG 114 Cb 0.47 -5.41 0.78 0.00 0.45 0.00 0.00 32.46 28.75 1mbh n ARG 114 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1mbh h TRP 115 N -1.97 0.00 -0.00 -0.14 4.06 -1.92 -0.23 115.95 115.76 1mbh h TRP 115 Ca -0.60 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.27 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 0.48 0.00 -0.38 0.66 -3.56 0.00 0.00 178.44 175.64 1mbh h SER 116 N 0.00 0.00 0.02 -3.49 4.64 -1.93 0.78 113.55 113.58 1mbh h SER 116 Ca 0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1mbh h SER 116 Cb 0.12 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1mbh h SER 116 CO 0.00 0.38 -0.14 0.58 -0.87 0.00 0.00 176.83 176.78 1mbh h VAL 117 N 0.00 1.70 -0.59 0.95 2.07 -1.39 -2.73 116.25 116.26 1mbh h VAL 117 Ca -0.00 -2.24 0.02 0.00 0.82 0.00 0.00 66.70 65.30 1mbh h VAL 117 Cb 0.67 3.21 -0.04 0.00 -1.52 0.00 0.00 31.29 33.61 1mbh h VAL 117 CO 0.05 0.59 0.37 0.40 0.02 0.00 0.00 177.57 179.00 1mbh h ILE 118 N -0.81 1.09 -0.59 4.57 2.04 -1.46 -1.75 117.51 120.60 1mbh h ILE 118 Ca -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1mbh h ILE 118 Cb 1.05 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1mbh h ILE 118 CO 0.03 0.13 0.33 0.00 0.00 0.00 0.00 178.15 178.64 1mbh h ALA 119 N 1.25 1.47 -0.42 1.87 0.00 -0.94 -0.14 119.26 122.34 1mbh h ALA 119 Ca 0.23 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1mbh h ALA 119 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1mbh h ALA 119 CO -0.08 0.44 0.28 -0.22 0.00 0.00 0.00 179.25 179.67 1mbh h LYS 120 N 0.82 0.33 0.19 0.00 3.64 -0.99 -2.14 116.57 118.41 1mbh h LYS 120 Ca 0.21 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.22 1mbh h LYS 120 Cb 0.01 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1mbh h LYS 120 CO -0.04 0.22 -1.73 0.45 -2.27 0.00 0.00 179.45 176.08 1mbh h HIS 121 N 0.34 0.72 -0.20 1.91 3.86 -1.15 -3.36 115.15 117.26 1mbh h HIS 121 Ca 0.18 -0.52 -0.70 0.00 -1.16 0.00 0.00 60.37 58.17 1mbh h HIS 121 Cb 0.29 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1mbh h HIS 121 CO -0.00 1.68 3.27 1.28 0.86 0.00 0.00 177.93 185.02 1mbh n LEU 122 N -3.62 7.67 -4.67 2.43 7.99 -0.16 -4.94 117.00 121.71 1mbh n LEU 122 Ca -0.25 -4.33 -0.45 0.00 -0.01 0.00 0.00 56.01 50.97 1mbh n LEU 122 Cb 1.07 -1.58 -0.04 0.00 -0.11 0.00 0.00 43.42 42.75 1mbh n LEU 122 CO 0.51 1.57 1.54 0.29 -1.51 0.00 0.00 177.39 179.80 1mbh n LYS 123 N 4.62 2.50 0.00 3.23 5.02 -1.22 -1.62 118.16 130.70 1mbh n LYS 123 Ca 0.62 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.83 1mbh n LYS 123 Cb 0.32 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 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 4.47 2.11 1.99 0.72 0.00 -1.26 -5.10 105.19 108.12 1mbh n GLY 124 Ca 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1mbh n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mbh n ARG 125 N 0.00 0.12 -4.33 1.61 5.12 -0.64 -5.14 116.66 113.40 1mbh n ARG 125 Ca 0.00 -1.35 -0.21 0.00 -1.93 0.00 0.00 57.85 54.36 1mbh n ARG 125 Cb 0.00 -0.39 -0.08 0.00 -1.16 0.00 0.00 32.46 30.83 1mbh n ARG 125 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1mbh s ILE 126 N -1.61 0.09 -1.06 0.55 -4.36 -1.26 -4.96 121.20 108.59 1mbh s ILE 126 Ca 0.35 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.66 1mbh s ILE 126 Cb -0.02 -2.46 -0.13 0.00 1.25 0.00 0.00 42.46 41.10 1mbh s ILE 126 CO 0.23 0.00 2.92 0.61 0.24 0.00 0.00 174.94 178.94 1mbh n GLY 127 N -0.69 3.66 1.56 6.27 0.00 -1.26 -3.04 105.19 111.69 1mbh n GLY 127 Ca 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 3.40 0.00 0.18 1.61 4.81 -1.26 -4.88 118.16 122.02 1mbh n LYS 128 Ca 0.62 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.92 1mbh n LYS 128 Cb 0.38 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.35 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1mbh h GLN 129 N 0.00 -0.37 -0.92 1.64 1.08 -1.95 0.38 115.11 114.98 1mbh h GLN 129 Ca 0.00 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1mbh h GLN 129 Cb 0.00 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 1mbh h GLN 129 CO 0.00 -0.25 0.60 0.00 -0.95 0.00 0.00 178.83 178.23 1mbh h ARG 131 N 1.17 -0.70 -0.31 0.00 1.12 -1.78 -2.80 114.38 111.08 1mbh h ARG 131 Ca 0.36 0.05 0.01 0.00 -1.11 0.00 0.00 59.98 59.29 1mbh h ARG 131 Cb -0.01 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 1mbh h ARG 131 CO -0.11 -0.42 0.18 0.93 -3.11 0.00 0.00 179.97 177.43 1mbh h GLU 132 N -0.85 0.35 -1.07 0.20 5.08 -0.70 0.18 114.58 117.78 1mbh h GLU 132 Ca -0.07 -0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.55 1mbh h GLU 132 Cb 0.61 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1mbh h GLU 132 CO 0.12 0.23 0.71 -0.09 -1.00 0.00 0.00 179.01 178.99 1mbh h ARG 133 N 0.36 0.26 0.05 2.33 9.65 -0.79 -1.46 114.38 124.78 1mbh h ARG 133 Ca 0.12 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.81 1mbh h ARG 133 Cb 0.00 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1mbh h ARG 133 CO -0.06 0.17 -0.94 2.35 2.80 0.00 0.00 179.97 184.30 1mbh h TRP 134 N 0.27 0.17 -0.16 2.20 2.91 -0.99 -3.33 115.95 117.03 1mbh h TRP 134 Ca 0.58 -0.13 -0.15 0.00 1.13 0.00 0.00 58.89 60.32 1mbh h TRP 134 Cb 1.71 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 30.29 1mbh h TRP 134 CO -0.00 1.37 -0.05 0.72 -1.03 0.00 0.00 178.44 179.45 1mbh n HIS 135 N -4.30 0.34 0.00 2.65 8.25 0.54 -3.39 115.22 119.31 1mbh n HIS 135 Ca -0.23 -1.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1mbh n HIS 135 Cb 0.71 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 1.65 0.00 0.00 0.41 3.02 -1.02 -4.89 115.26 114.42 1mbh n ASN 136 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1mbh n ASN 136 Cb 0.66 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.10 0.00 -2.90 3.10 -0.00 -1.25 -4.79 115.22 108.28 1mbh n HIS 137 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 1mbh n HIS 137 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1mbh s LEU 138 N -1.65 4.94 -0.11 2.41 2.34 -1.25 -4.81 118.68 120.55 1mbh s LEU 138 Ca 0.00 -1.96 0.12 0.00 0.06 0.00 0.00 54.13 52.35 1mbh s LEU 138 Cb 0.00 -2.41 -0.24 0.00 -0.56 0.00 0.00 46.19 42.99 1mbh s LEU 138 CO 0.00 -1.11 0.40 -3.20 -1.06 0.00 0.00 176.35 171.38 1mbh n ASN 139 N 6.73 0.81 -4.72 1.48 2.85 -1.22 -4.54 115.26 116.65 1mbh n ASN 139 Ca 0.23 0.23 -0.42 0.00 -0.11 0.00 0.00 54.58 54.51 1mbh n ASN 139 Cb 0.49 0.16 -0.03 0.00 1.24 0.00 0.00 39.78 41.64 1mbh n ASN 139 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1mbh s PRO 140 N -2.56 4.33 0.00 1.20 0.05 -1.26 -5.04 135.00 131.72 1mbh s PRO 140 Ca -0.10 2.09 0.31 0.00 0.05 0.00 0.00 61.00 63.35 1mbh s PRO 140 Cb 0.07 -3.23 1.82 0.00 0.05 0.00 0.00 34.50 33.22 1mbh s PRO 140 CO 0.81 -0.41 2.15 0.39 0.05 0.00 0.00 177.00 179.99