#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 4.34 -0.38 1.47 -1.09 -1.26 -4.51 121.20 119.76 1mbh s ILE 91 Ca 0.00 -1.64 0.05 0.00 -2.23 0.00 0.00 60.65 56.84 1mbh s ILE 91 Cb 0.00 -5.03 0.29 0.00 -1.58 0.00 0.00 42.46 36.14 1mbh s ILE 91 CO 0.00 -1.83 1.24 1.17 -1.23 0.00 0.00 174.94 174.28 1mbh n LYS 92 N 7.71 0.70 0.00 2.79 0.00 -1.26 -5.14 118.16 122.96 1mbh n LYS 92 Ca 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 58.31 57.31 1mbh n LYS 92 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 35.12 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mbh n GLY 93 N -0.01 -0.69 0.80 3.14 0.00 -1.26 -2.93 105.19 104.24 1mbh n GLY 93 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.71 0.94 -1.29 1.61 -0.04 -1.26 -4.97 135.00 128.28 1mbh n PRO 94 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1mbh n PRO 94 Cb 0.00 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.33 -3.47 -4.13 0.54 7.02 -1.15 -4.94 117.44 111.65 1mbh n TRP 95 Ca 0.00 1.60 -0.16 0.00 -1.02 0.00 0.00 57.50 57.92 1mbh n TRP 95 Cb 0.38 -2.96 -0.15 0.00 -2.42 0.00 0.00 31.31 26.16 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 -2.05 0.38 0.27 -0.99 -4.23 -1.26 -5.05 115.64 102.71 1mbh s THR 96 Ca 0.00 -0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1mbh s THR 96 Cb 0.00 -0.34 0.26 0.00 1.34 0.00 0.00 72.50 73.77 1mbh s THR 96 CO 0.00 0.12 1.80 0.50 -0.54 0.00 0.00 174.62 176.49 1mbh h LYS 97 N 6.13 0.78 -0.02 3.99 3.64 -1.99 -0.72 116.57 128.38 1mbh h LYS 97 Ca -0.29 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1mbh h LYS 97 Cb 1.19 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1mbh h LYS 97 CO 0.50 0.51 -0.10 1.49 -2.27 0.00 0.00 179.45 179.59 1mbh h GLU 98 N 0.80 -0.15 -0.61 1.90 4.81 -1.99 0.24 114.58 119.57 1mbh h GLU 98 Ca 0.49 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1mbh h GLU 98 Cb 0.60 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1mbh h GLU 98 CO -0.32 -0.10 -0.00 0.93 -0.73 0.00 0.00 179.01 178.79 1mbh h GLU 99 N -0.16 1.07 -0.39 1.92 5.08 -1.82 -1.90 114.58 118.39 1mbh h GLU 99 Ca 0.05 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1mbh h GLU 99 Cb 0.22 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1mbh h GLU 99 CO -0.12 1.04 0.19 -0.44 -1.00 0.00 0.00 179.01 178.69 1mbh h ASP 100 N 0.98 0.29 -0.70 1.42 3.32 -0.78 0.78 116.42 121.73 1mbh h ASP 100 Ca 0.17 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1mbh h ASP 100 Cb 0.56 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1mbh h ASP 100 CO 0.03 0.21 0.43 -0.61 -1.72 0.00 0.00 179.24 177.58 1mbh h GLN 101 N 0.40 0.81 -0.41 3.56 5.75 -0.71 0.47 115.11 124.98 1mbh h GLN 101 Ca 0.16 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1mbh h GLN 101 Cb 0.07 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1mbh h GLN 101 CO -0.11 0.54 0.24 -0.09 -2.65 0.00 0.00 178.83 176.76 1mbh h ARG 102 N 0.84 0.57 -0.31 1.69 2.43 -0.54 -1.73 114.38 117.32 1mbh h ARG 102 Ca 0.28 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1mbh h ARG 102 Cb 0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1mbh h ARG 102 CO -0.12 0.43 0.17 0.28 -1.51 0.00 0.00 179.97 179.22 1mbh h VAL 103 N 0.54 1.14 -0.44 0.20 2.07 -0.26 -0.12 116.25 119.38 1mbh h VAL 103 Ca 0.15 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1mbh h VAL 103 Cb 0.02 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1mbh h VAL 103 CO -0.03 0.14 0.00 0.40 0.02 0.00 0.00 177.57 178.10 1mbh h ILE 104 N 0.38 0.67 -0.43 4.57 2.04 -0.67 0.13 117.51 124.19 1mbh h ILE 104 Ca 0.11 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1mbh h ILE 104 Cb 0.07 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1mbh h ILE 104 CO -0.02 0.02 0.18 -0.08 0.00 0.00 0.00 178.15 178.25 1mbh h GLU 105 N 0.11 0.64 -0.91 2.37 4.22 -1.00 -0.99 114.58 119.03 1mbh h GLU 105 Ca 0.22 -0.11 0.01 0.00 0.08 0.00 0.00 59.36 59.56 1mbh h GLU 105 Cb 0.32 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1mbh h GLU 105 CO -0.36 0.59 0.60 -0.07 -2.18 0.00 0.00 179.01 177.59 1mbh h LEU 106 N 0.56 1.04 -0.91 1.64 3.38 -0.08 0.72 115.31 121.65 1mbh h LEU 106 Ca 0.15 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1mbh h LEU 106 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1mbh h LEU 106 CO -0.01 0.75 -0.41 0.58 0.09 0.00 0.00 178.44 179.43 1mbh h VAL 107 N 1.23 1.31 -0.29 1.22 2.07 -0.52 0.54 116.25 121.81 1mbh h VAL 107 Ca 0.34 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 1mbh h VAL 107 Cb -0.13 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1mbh h VAL 107 CO -0.08 0.46 -0.39 -0.61 0.02 0.00 0.00 177.57 176.97 1mbh h GLN 108 N 0.23 0.68 0.20 1.57 4.15 -0.20 -1.18 115.11 120.55 1mbh h GLN 108 Ca 0.02 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.09 1mbh h GLN 108 Cb 0.83 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1mbh h GLN 108 CO 0.07 0.95 -0.10 0.87 -1.93 0.00 0.00 178.83 178.69 1mbh h LYS 109 N 0.56 -0.26 0.01 1.69 1.57 -0.59 -3.42 116.57 116.13 1mbh h LYS 109 Ca 0.05 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1mbh h LYS 109 Cb 0.92 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1mbh h LYS 109 CO 0.08 -0.17 -0.01 1.88 -0.57 0.00 0.00 179.45 180.67 1mbh h TYR 110 N -0.87 -0.02 0.00 -1.35 0.05 -1.01 -3.51 116.97 110.26 1mbh h TYR 110 Ca -0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1mbh h TYR 110 Cb 0.20 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1mbh h TYR 110 CO 0.01 -0.01 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1mbh n GLY 111 N 1.70 3.99 3.68 3.88 0.00 -0.45 -5.04 105.19 112.96 1mbh n GLY 111 Ca -0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.72 1.05 -1.22 1.61 0.04 -1.26 -3.77 135.00 128.73 1mbh s PRO 112 Ca 0.00 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1mbh s PRO 112 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1mbh s PRO 112 CO 0.00 -2.44 0.13 1.63 0.04 0.00 0.00 177.00 176.36 1mbh n LYS 113 N -4.04 -1.90 -2.58 4.56 4.76 -1.26 -4.91 118.16 112.79 1mbh n LYS 113 Ca 0.08 0.70 -0.10 0.00 -2.87 0.00 0.00 58.31 56.12 1mbh n LYS 113 Cb 0.54 -5.02 0.03 0.00 -1.84 0.00 0.00 35.03 28.74 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 -2.63 2.24 0.26 1.97 1.74 -1.25 -4.89 116.66 114.10 1mbh n ARG 114 Ca -0.15 -3.71 0.12 0.00 -0.77 0.00 0.00 57.85 53.34 1mbh n ARG 114 Cb 0.62 -1.77 0.69 0.00 -1.02 0.00 0.00 32.46 30.99 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 2.57 0.00 -0.17 -1.55 -0.00 -1.91 -0.15 115.95 114.74 1mbh h TRP 115 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.84 1mbh h TRP 115 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.44 1mbh h TRP 115 CO 0.61 0.13 -0.24 0.66 -0.00 0.00 0.00 178.44 179.60 1mbh h SER 116 N 0.00 0.30 0.02 -3.49 4.64 -1.92 0.30 113.55 113.39 1mbh h SER 116 Ca -0.00 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1mbh h SER 116 Cb 0.34 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1mbh h SER 116 CO 0.02 0.56 -0.96 0.58 -0.87 0.00 0.00 176.83 176.15 1mbh h VAL 117 N 0.28 1.16 -0.51 0.95 2.07 -1.74 -3.26 116.25 115.20 1mbh h VAL 117 Ca 0.04 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.35 1mbh h VAL 117 Cb 0.58 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1mbh h VAL 117 CO 0.04 0.45 0.26 0.40 0.02 0.00 0.00 177.57 178.75 1mbh h ILE 118 N -0.88 0.96 -0.63 4.57 2.04 -1.07 -1.64 117.51 120.86 1mbh h ILE 118 Ca -0.25 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1mbh h ILE 118 Cb 1.30 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1mbh h ILE 118 CO -0.11 0.09 0.36 0.00 0.00 0.00 0.00 178.15 178.50 1mbh h ALA 119 N 1.27 1.46 0.00 1.87 0.00 -1.11 -0.65 119.26 122.10 1mbh h ALA 119 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1mbh h ALA 119 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1mbh h ALA 119 CO -0.15 0.46 -0.00 -0.22 0.00 0.00 0.00 179.25 179.34 1mbh h LYS 120 N 0.87 0.00 -0.26 0.00 3.64 -1.34 -0.37 116.57 119.11 1mbh h LYS 120 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1mbh h LYS 120 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1mbh h LYS 120 CO -0.04 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.86 1mbh n HIS 121 N -3.76 0.32 -3.67 1.91 8.25 -0.29 -4.65 115.22 113.33 1mbh n HIS 121 Ca -0.03 -0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 56.98 1mbh n HIS 121 Cb 0.08 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 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 1.31 3.12 -4.57 2.41 7.94 -0.15 -5.05 117.00 122.02 1mbh n LEU 122 Ca 0.16 -5.26 -0.39 0.00 -1.11 0.00 0.00 56.01 49.41 1mbh n LEU 122 Cb 0.56 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.84 1mbh n LEU 122 CO 0.14 1.89 1.92 -0.54 -1.11 0.00 0.00 177.39 179.69 1mbh s LYS 123 N -1.82 2.48 0.00 1.96 3.01 -1.26 -1.80 119.74 122.31 1mbh s LYS 123 Ca 0.32 1.52 0.00 0.00 -1.01 0.00 0.00 55.97 56.79 1mbh s LYS 123 Cb 0.04 -4.49 0.00 0.00 -1.01 0.00 0.00 37.83 32.37 1mbh s LYS 123 CO -0.11 -2.85 0.00 0.41 0.51 0.00 0.00 175.35 173.31 1mbh n GLY 124 N 5.89 1.86 3.86 -3.33 0.00 -1.26 -5.13 105.19 107.07 1mbh n GLY 124 Ca 0.33 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 2.23 0.38 1.61 1.81 -0.74 -5.10 118.95 119.13 1mbh s ARG 125 Ca 0.00 -2.21 0.05 0.00 -1.72 0.00 0.00 55.73 51.85 1mbh s ARG 125 Cb 0.00 -1.86 -0.03 0.00 -0.45 0.00 0.00 34.95 32.61 1mbh s ARG 125 CO 0.00 -0.56 0.19 0.96 -0.68 0.00 0.00 175.30 175.21 1mbh s ILE 126 N -2.84 0.33 0.39 1.52 -4.36 -1.26 -4.92 121.20 110.06 1mbh s ILE 126 Ca 0.21 -2.00 0.12 0.00 -0.26 0.00 0.00 60.65 58.72 1mbh s ILE 126 Cb -0.01 -2.40 0.34 0.00 1.25 0.00 0.00 42.46 41.64 1mbh s ILE 126 CO 0.13 0.00 1.89 1.23 0.24 0.00 0.00 174.94 178.43 1mbh h GLY 127 N 1.93 0.97 0.54 6.27 0.00 -1.94 -1.54 103.07 109.31 1mbh h GLY 127 Ca -0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1mbh h GLY 127 CO 0.48 0.07 -0.03 1.70 0.00 0.00 0.00 176.54 178.77 1mbh h LYS 128 N 0.56 -0.08 -0.61 4.80 3.64 -1.96 -1.07 116.57 121.85 1mbh h LYS 128 Ca 0.42 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1mbh h LYS 128 Cb 0.79 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1mbh h LYS 128 CO -0.17 0.36 0.40 1.96 -2.27 0.00 0.00 179.45 179.73 1mbh h GLN 129 N -0.54 0.78 -0.03 1.90 7.50 -1.85 0.20 115.11 123.08 1mbh h GLN 129 Ca -0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 1mbh h GLN 129 Cb 0.47 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1mbh h GLN 129 CO 0.01 0.51 0.00 0.00 -1.50 0.00 0.00 178.83 177.86 1mbh h ARG 131 N -0.23 0.57 0.54 0.00 1.12 -0.95 -1.75 114.38 113.69 1mbh h ARG 131 Ca 0.01 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1mbh h ARG 131 Cb 0.31 -0.13 0.01 0.00 -0.01 0.00 0.00 29.97 30.14 1mbh h ARG 131 CO 0.00 0.38 -0.26 0.93 -3.11 0.00 0.00 179.97 177.91 1mbh h GLU 132 N 0.59 -0.70 -0.99 0.20 5.08 -0.86 -0.09 114.58 117.80 1mbh h GLU 132 Ca 0.33 0.05 0.34 0.00 -1.00 0.00 0.00 59.36 59.08 1mbh h GLU 132 Cb 0.33 0.16 -0.18 0.00 0.50 0.00 0.00 28.75 29.56 1mbh h GLU 132 CO -0.26 -0.47 0.28 -0.09 -1.00 0.00 0.00 179.01 177.48 1mbh h ARG 133 N -1.11 0.02 0.19 2.33 9.65 -0.86 -1.64 114.38 122.96 1mbh h ARG 133 Ca -0.07 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1mbh h ARG 133 Cb 0.55 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1mbh h ARG 133 CO 0.12 0.01 -0.09 2.35 2.80 0.00 0.00 179.97 185.17 1mbh h TRP 134 N 0.02 -0.23 -0.33 2.20 2.91 -1.31 -3.31 115.95 115.90 1mbh h TRP 134 Ca 0.71 -0.01 -0.43 0.00 1.13 0.00 0.00 58.89 60.30 1mbh h TRP 134 Cb 1.69 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 30.35 1mbh h TRP 134 CO -0.26 -0.14 1.13 0.72 -1.03 0.00 0.00 178.44 178.85 1mbh n HIS 135 N -3.61 1.19 0.00 2.65 8.25 -0.05 -3.07 115.22 120.58 1mbh n HIS 135 Ca -0.03 -2.13 0.00 0.00 -0.26 0.00 0.00 57.72 55.30 1mbh n HIS 135 Cb 0.10 -1.81 0.00 0.00 1.12 0.00 0.00 29.99 29.40 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 2.37 0.00 -2.83 0.41 3.02 -0.87 -4.84 115.26 112.51 1mbh n ASN 136 Ca 0.55 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.90 1mbh n ASN 136 Cb 0.60 0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.11 2.26 -0.42 3.10 1.44 -1.24 -5.04 115.22 113.20 1mbh n HIS 137 Ca 0.00 -3.48 0.00 0.00 -2.01 0.00 0.00 57.72 52.23 1mbh n HIS 137 Cb 0.00 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 29.76 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 -0.13 0.00 -2.15 2.39 7.94 -1.17 -4.96 117.00 118.92 1mbh n LEU 138 Ca 0.27 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.12 1mbh n LEU 138 Cb 0.62 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.59 1mbh n LEU 138 CO 0.29 0.00 0.03 -3.20 -1.11 0.00 0.00 177.39 173.40 1mbh n ASN 139 N 0.00 -3.82 0.00 1.96 5.15 -1.24 -4.89 115.26 112.42 1mbh n ASN 139 Ca 0.00 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1mbh n ASN 139 Cb 0.00 -2.33 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 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 -2.02 0.00 0.00 1.20 -0.04 -1.26 -5.13 135.00 127.75 1mbh n PRO 140 Ca -0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1mbh n PRO 140 Cb 0.54 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85