#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 2.80 0.05 1.96 -1.09 -1.26 -4.91 121.20 118.75 1mbh s ILE 91 Ca 0.00 0.52 -0.31 0.00 -2.23 0.00 0.00 60.65 58.63 1mbh s ILE 91 Cb 0.00 -3.22 -0.10 0.00 -1.58 0.00 0.00 42.46 37.56 1mbh s ILE 91 CO 0.00 -0.08 1.94 1.17 -1.23 0.00 0.00 174.94 176.74 1mbh n LYS 92 N -1.30 2.82 0.09 2.79 3.00 -1.26 -4.92 118.16 119.38 1mbh n LYS 92 Ca 0.12 1.03 -0.04 0.00 -0.00 0.00 0.00 58.31 59.42 1mbh n LYS 92 Cb 0.49 -2.97 -0.02 0.00 0.00 0.00 0.00 35.03 32.53 1mbh n LYS 92 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1mbh h GLY 93 N 10.06 -0.30 0.45 3.14 0.00 -2.07 -3.30 103.07 111.05 1mbh h GLY 93 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1mbh h GLY 93 CO 0.94 -0.11 0.00 -1.55 0.00 0.00 0.00 176.54 175.82 1mbh n PRO 94 N -3.89 0.44 -1.46 4.80 -0.04 -1.26 -4.97 135.00 128.62 1mbh n PRO 94 Ca -0.04 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.62 1mbh n PRO 94 Cb 0.11 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.73 -3.66 -3.94 0.54 7.02 -1.25 -4.98 117.44 110.45 1mbh n TRP 95 Ca 0.05 1.83 -0.10 0.00 -1.02 0.00 0.00 57.50 58.26 1mbh n TRP 95 Cb 0.02 -3.33 -0.10 0.00 -2.42 0.00 0.00 31.31 25.48 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 -2.33 0.10 0.48 -0.99 -4.23 -1.26 -5.04 115.64 102.38 1mbh s THR 96 Ca 0.00 -0.83 0.16 0.00 -1.18 0.00 0.00 61.69 59.84 1mbh s THR 96 Cb 0.00 -0.35 0.31 0.00 1.34 0.00 0.00 72.50 73.80 1mbh s THR 96 CO 0.00 -0.46 2.06 0.50 -0.54 0.00 0.00 174.62 176.19 1mbh h LYS 97 N 4.46 0.18 -0.31 3.99 3.11 -1.98 0.47 116.57 126.48 1mbh h LYS 97 Ca -0.32 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.44 1mbh h LYS 97 Cb 1.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1mbh h LYS 97 CO 0.41 0.12 -0.10 1.49 -2.81 0.00 0.00 179.45 178.56 1mbh h GLU 98 N 0.18 0.62 -0.33 1.90 4.57 -2.00 -0.27 114.58 119.27 1mbh h GLU 98 Ca 0.14 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1mbh h GLU 98 Cb 0.33 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1mbh h GLU 98 CO -0.02 0.82 0.01 0.93 -1.18 0.00 0.00 179.01 179.56 1mbh h GLU 99 N 0.39 0.57 -0.65 1.92 5.08 -1.64 -2.87 114.58 117.37 1mbh h GLU 99 Ca 0.08 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1mbh h GLU 99 Cb 0.60 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1mbh h GLU 99 CO 0.04 0.69 0.43 -0.44 -1.00 0.00 0.00 179.01 178.73 1mbh h ASP 100 N 0.38 0.75 -0.86 1.42 3.32 -0.88 -2.46 116.42 118.09 1mbh h ASP 100 Ca 0.09 -0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.32 1mbh h ASP 100 Cb 0.43 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 39.68 1mbh h ASP 100 CO 0.01 0.54 0.36 -0.61 -1.72 0.00 0.00 179.24 177.83 1mbh h GLN 101 N 0.88 0.41 -0.11 3.56 5.75 -0.80 0.46 115.11 125.26 1mbh h GLN 101 Ca 0.24 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1mbh h GLN 101 Cb -0.10 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 1mbh h GLN 101 CO -0.05 0.27 -0.01 0.00 -2.65 0.00 0.00 178.83 176.39 1mbh h ARG 102 N 0.42 0.20 -0.39 1.69 3.08 -1.51 -1.73 114.38 116.14 1mbh h ARG 102 Ca 0.51 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.56 1mbh h ARG 102 Cb 0.92 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.89 1mbh h ARG 102 CO -0.49 0.47 0.04 0.28 -1.07 0.00 0.00 179.97 179.20 1mbh h VAL 103 N -0.08 0.75 0.03 2.04 2.07 -1.13 0.11 116.25 120.04 1mbh h VAL 103 Ca 0.03 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1mbh h VAL 103 Cb 0.38 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1mbh h VAL 103 CO 0.01 0.03 -0.24 0.40 0.02 0.00 0.00 177.57 177.78 1mbh h ILE 104 N 0.15 0.44 0.01 4.57 2.04 -0.90 0.42 117.51 124.24 1mbh h ILE 104 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1mbh h ILE 104 Cb 0.25 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1mbh h ILE 104 CO -0.28 0.00 -0.10 -0.08 0.00 0.00 0.00 178.15 177.69 1mbh h GLU 105 N -0.40 -0.16 -0.79 2.37 4.81 -0.73 -0.74 114.58 118.94 1mbh h GLU 105 Ca 0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1mbh h GLU 105 Cb 0.46 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1mbh h GLU 105 CO -0.20 -0.11 0.51 -0.07 -0.73 0.00 0.00 179.01 178.42 1mbh h LEU 106 N -0.17 0.92 -0.71 1.64 3.38 -0.57 0.30 115.31 120.10 1mbh h LEU 106 Ca 0.03 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1mbh h LEU 106 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1mbh h LEU 106 CO -0.09 0.68 -0.06 0.58 0.09 0.00 0.00 178.44 179.64 1mbh h VAL 107 N 1.08 1.26 -0.08 1.22 2.07 -0.69 0.56 116.25 121.67 1mbh h VAL 107 Ca 0.29 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1mbh h VAL 107 Cb -0.10 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1mbh h VAL 107 CO -0.06 0.41 -0.50 -0.61 0.02 0.00 0.00 177.57 176.83 1mbh h GLN 108 N 0.84 0.22 0.25 1.57 4.15 -0.48 0.69 115.11 122.34 1mbh h GLN 108 Ca 0.14 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1mbh h GLN 108 Cb 0.59 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1mbh h GLN 108 CO 0.04 0.67 -0.12 -0.22 -1.93 0.00 0.00 178.83 177.27 1mbh h LYS 109 N 0.17 -0.32 0.00 1.69 3.64 0.02 -3.41 116.57 118.36 1mbh h LYS 109 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1mbh h LYS 109 Cb 0.95 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1mbh h LYS 109 CO 0.08 -0.21 -0.04 1.88 -2.27 0.00 0.00 179.45 178.88 1mbh h TYR 110 N -0.81 0.00 0.00 1.91 0.05 -1.01 -3.51 116.97 113.60 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 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1mbh h TYR 110 CO 0.02 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 1mbh n GLY 111 N 1.82 1.05 3.49 3.88 0.00 0.23 -5.04 105.19 110.62 1mbh n GLY 111 Ca -0.01 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.61 -0.87 4.18 1.61 0.04 -1.25 -4.50 135.00 132.60 1mbh s PRO 112 Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1mbh s PRO 112 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1mbh s PRO 112 CO 0.00 -3.72 0.00 1.63 0.04 0.00 0.00 177.00 174.95 1mbh n LYS 113 N -4.93 0.00 -3.89 4.56 5.02 -1.26 -4.91 118.16 112.75 1mbh n LYS 113 Ca 0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 1mbh n LYS 113 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.56 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1mbh n ARG 114 N 3.01 -4.60 0.28 1.97 1.74 -1.26 -4.85 116.66 112.96 1mbh n ARG 114 Ca 0.00 0.54 0.18 0.00 -0.77 0.00 0.00 57.85 57.79 1mbh n ARG 114 Cb 0.00 -5.14 0.72 0.00 -1.02 0.00 0.00 32.46 27.02 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 -1.90 0.00 -0.13 -1.55 4.06 -1.92 -2.26 115.95 112.24 1mbh h TRP 115 Ca -0.60 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.32 1mbh h TRP 115 Cb 1.37 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.53 0.00 -0.03 1.03 -3.56 0.00 0.00 178.44 176.41 1mbh h SER 116 N 0.00 0.25 -0.12 -3.49 0.87 -1.94 0.88 113.55 110.00 1mbh h SER 116 Ca 0.00 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1mbh h SER 116 Cb 0.47 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1mbh h SER 116 CO 0.00 0.56 0.06 0.58 -0.53 0.00 0.00 176.83 177.50 1mbh h VAL 117 N -0.06 1.10 -0.70 2.23 2.07 -1.84 -0.48 116.25 118.57 1mbh h VAL 117 Ca 0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1mbh h VAL 117 Cb 0.45 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1mbh h VAL 117 CO 0.01 0.09 0.39 0.40 0.02 0.00 0.00 177.57 178.49 1mbh h ILE 118 N 0.08 1.21 -0.64 4.57 2.04 -1.41 -2.58 117.51 120.79 1mbh h ILE 118 Ca 0.04 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1mbh h ILE 118 Cb 0.09 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1mbh h ILE 118 CO -0.01 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.58 1mbh h ALA 119 N 1.20 0.84 -0.07 1.87 0.00 -0.62 -0.69 119.26 121.79 1mbh h ALA 119 Ca 0.25 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mbh h ALA 119 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1mbh h ALA 119 CO -0.04 0.51 0.08 0.87 0.00 0.00 0.00 179.25 180.67 1mbh h LYS 120 N 0.93 0.00 0.03 0.00 1.57 -0.70 -2.35 116.57 116.05 1mbh h LYS 120 Ca 0.21 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1mbh h LYS 120 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1mbh h LYS 120 CO -0.01 0.00 -1.05 0.45 -0.57 0.00 0.00 179.45 178.27 1mbh h HIS 121 N 0.00 0.13 -0.09 -1.35 3.86 -1.13 -3.38 115.15 113.19 1mbh h HIS 121 Ca 0.03 -0.09 -0.71 0.00 -1.16 0.00 0.00 60.37 58.44 1mbh h HIS 121 Cb 0.18 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1mbh h HIS 121 CO 0.00 1.41 3.16 1.28 0.86 0.00 0.00 177.93 184.64 1mbh n LEU 122 N -4.31 7.11 -4.58 2.43 4.77 -0.33 -4.93 117.00 117.16 1mbh n LEU 122 Ca -0.26 -4.20 -0.46 0.00 -0.03 0.00 0.00 56.01 51.06 1mbh n LEU 122 Cb 0.71 -1.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1mbh n LEU 122 CO 0.29 1.26 1.77 0.29 -1.33 0.00 0.00 177.39 179.66 1mbh n LYS 123 N 5.62 1.84 0.00 3.23 5.02 -1.22 -1.20 118.16 131.45 1mbh n LYS 123 Ca 0.55 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1mbh n LYS 123 Cb 0.37 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 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 5.67 4.15 3.96 0.72 0.00 -1.26 -5.11 105.19 113.32 1mbh n GLY 124 Ca 0.31 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 2.14 0.24 1.61 1.81 -0.34 -4.98 118.95 119.44 1mbh s ARG 125 Ca 0.00 -0.64 0.01 0.00 -1.72 0.00 0.00 55.73 53.39 1mbh s ARG 125 Cb 0.00 -2.31 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 1mbh s ARG 125 CO 0.00 -1.14 0.08 0.96 -0.68 0.00 0.00 175.30 174.52 1mbh s ILE 126 N -3.07 0.57 0.59 1.52 -4.36 -1.26 -4.88 121.20 110.31 1mbh s ILE 126 Ca 0.61 -2.00 0.28 0.00 -0.26 0.00 0.00 60.65 59.29 1mbh s ILE 126 Cb -0.09 -2.55 0.37 0.00 1.25 0.00 0.00 42.46 41.44 1mbh s ILE 126 CO 0.43 -0.08 2.02 1.23 0.24 0.00 0.00 174.94 178.77 1mbh h GLY 127 N 2.44 0.00 0.68 6.27 0.00 -1.95 -2.01 103.07 108.50 1mbh h GLY 127 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1mbh h GLY 127 CO 0.61 0.00 -0.18 1.70 0.00 0.00 0.00 176.54 178.67 1mbh h LYS 128 N 0.00 -0.50 -0.39 4.80 3.64 -1.96 -0.58 116.57 121.59 1mbh h LYS 128 Ca 0.14 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1mbh h LYS 128 Cb 0.77 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1mbh h LYS 128 CO -0.00 -0.19 0.09 1.96 -2.27 0.00 0.00 179.45 179.05 1mbh h GLN 129 N -0.84 0.62 -0.34 1.90 7.50 -1.85 -0.52 115.11 121.59 1mbh h GLN 129 Ca -0.05 -0.15 0.01 0.00 0.50 0.00 0.00 58.65 58.95 1mbh h GLN 129 Cb 0.54 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 1mbh h GLN 129 CO 0.09 0.65 0.22 0.00 -1.50 0.00 0.00 178.83 178.29 1mbh h ARG 131 N 0.45 -0.42 0.11 0.00 1.12 -0.96 -2.90 114.38 111.79 1mbh h ARG 131 Ca 0.13 0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1mbh h ARG 131 Cb -0.04 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 1mbh h ARG 131 CO -0.03 -0.23 -0.25 0.93 -3.11 0.00 0.00 179.97 177.28 1mbh h GLU 132 N -0.51 -0.44 -0.97 0.20 5.08 -0.94 0.15 114.58 117.15 1mbh h GLU 132 Ca -0.04 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.63 1mbh h GLU 132 Cb 0.38 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 1mbh h GLU 132 CO 0.07 -0.29 0.50 -0.09 -1.00 0.00 0.00 179.01 178.20 1mbh h ARG 133 N -0.45 0.35 0.01 2.33 9.65 -0.92 0.35 114.38 125.70 1mbh h ARG 133 Ca 0.03 -0.02 -0.26 0.00 -1.10 0.00 0.00 59.98 58.63 1mbh h ARG 133 Cb 0.48 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 1mbh h ARG 133 CO -0.15 0.23 -1.39 2.35 2.80 0.00 0.00 179.97 183.82 1mbh h TRP 134 N 0.36 0.04 -1.03 2.20 2.91 -1.20 -3.25 115.95 115.99 1mbh h TRP 134 Ca 0.67 -0.03 -0.68 0.00 1.13 0.00 0.00 58.89 59.98 1mbh h TRP 134 Cb 1.43 -0.00 -0.29 0.00 -0.51 0.00 0.00 29.16 29.78 1mbh h TRP 134 CO -0.07 1.04 0.82 0.72 -1.03 0.00 0.00 178.44 179.92 1mbh n HIS 135 N -3.22 3.21 0.13 2.65 8.25 0.46 -4.37 115.22 122.34 1mbh n HIS 135 Ca -0.10 -2.98 0.00 0.00 -0.26 0.00 0.00 57.72 54.38 1mbh n HIS 135 Cb 1.00 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 -0.90 -0.71 0.00 0.41 3.02 -0.81 -4.89 115.26 111.38 1mbh n ASN 136 Ca 0.62 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1mbh n ASN 136 Cb 0.66 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.66 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 -3.26 0.00 -4.65 3.10 1.44 -1.23 -5.09 115.22 105.53 1mbh n HIS 137 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1mbh n HIS 137 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 0.00 -2.99 2.39 -0.00 -1.26 -4.33 117.00 110.81 1mbh n LEU 138 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1mbh n LEU 138 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1mbh n LEU 138 CO 0.00 0.00 0.26 -3.20 -0.00 0.00 0.00 177.39 174.45 1mbh n ASN 139 N -1.91 -7.85 0.09 1.96 2.85 -1.26 -4.99 115.26 104.15 1mbh n ASN 139 Ca 0.00 0.12 -0.05 0.00 -0.11 0.00 0.00 54.58 54.54 1mbh n ASN 139 Cb 0.00 -5.34 -0.02 0.00 1.24 0.00 0.00 39.78 35.66 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 0.93 -0.28 0.00 1.20 0.13 -1.97 -3.53 132.00 128.48 1mbh h PRO 140 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1mbh h PRO 140 Cb 1.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1mbh h PRO 140 CO 0.27 -0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.24