#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 0.02 -1.04 -0.08 -1.09 -1.26 -5.10 121.20 112.66 1mbh s ILE 91 Ca 0.00 -0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.00 1mbh s ILE 91 Cb 0.00 -0.61 0.06 0.00 -1.58 0.00 0.00 42.46 40.33 1mbh s ILE 91 CO 0.00 -0.11 1.44 -1.59 -1.23 0.00 0.00 174.94 173.45 1mbh s LYS 92 N -0.56 3.64 0.00 2.79 -2.85 -1.26 -4.76 119.74 116.74 1mbh s LYS 92 Ca -0.07 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1mbh s LYS 92 Cb -0.04 -5.32 0.00 0.00 -2.06 0.00 0.00 37.83 30.41 1mbh s LYS 92 CO 0.03 -2.16 0.00 0.41 0.10 0.00 0.00 175.35 173.73 1mbh n GLY 93 N 6.56 -1.09 3.58 0.59 0.00 -1.26 -4.74 105.19 108.82 1mbh n GLY 93 Ca 0.34 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.54 2.35 0.86 1.61 0.04 -1.26 -4.81 135.00 128.24 1mbh s PRO 94 Ca 0.00 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1mbh s PRO 94 Cb 0.00 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1mbh s PRO 94 CO 0.00 -4.08 0.00 0.91 0.04 0.00 0.00 177.00 173.87 1mbh n TRP 95 N 14.97 -3.13 -4.21 0.56 7.02 -1.26 -4.97 117.44 126.42 1mbh n TRP 95 Ca 0.44 1.23 -0.12 0.00 -1.02 0.00 0.00 57.50 58.02 1mbh n TRP 95 Cb 0.47 -2.18 -0.10 0.00 -2.42 0.00 0.00 31.31 27.07 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 -1.51 0.89 0.18 -0.99 -4.23 -1.26 -5.05 115.64 103.67 1mbh s THR 96 Ca 0.00 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.39 1mbh s THR 96 Cb 0.00 -1.80 0.09 0.00 1.34 0.00 0.00 72.50 72.13 1mbh s THR 96 CO 0.00 -0.78 1.85 0.50 -0.54 0.00 0.00 174.62 175.65 1mbh h LYS 97 N 2.86 0.79 0.04 3.99 3.64 -1.99 0.06 116.57 125.96 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 1.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.64 0.53 -0.02 1.49 -2.27 0.00 0.00 179.45 179.83 1mbh h GLU 98 N 0.81 -0.05 -0.88 1.90 4.81 -1.98 0.58 114.58 119.78 1mbh h GLU 98 Ca 0.22 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1mbh h GLU 98 Cb -0.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1mbh h GLU 98 CO -0.05 0.06 0.57 1.49 -0.73 0.00 0.00 179.01 180.36 1mbh h GLU 99 N -0.15 1.16 -0.55 1.92 4.81 -1.93 0.21 114.58 120.05 1mbh h GLU 99 Ca -0.01 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1mbh h GLU 99 Cb 0.13 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1mbh h GLU 99 CO 0.01 0.77 0.25 -0.44 -0.73 0.00 0.00 179.01 178.87 1mbh h ASP 100 N 1.19 0.73 -0.92 1.04 3.32 -0.75 -1.69 116.42 119.34 1mbh h ASP 100 Ca 0.32 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1mbh h ASP 100 Cb -0.12 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1mbh h ASP 100 CO -0.07 0.67 0.58 -0.61 -1.72 0.00 0.00 179.24 178.09 1mbh h GLN 101 N 0.74 1.22 -0.47 3.56 5.75 -0.08 -1.51 115.11 124.33 1mbh h GLN 101 Ca 0.19 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1mbh h GLN 101 Cb 0.14 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1mbh h GLN 101 CO -0.02 0.83 0.28 0.00 -2.65 0.00 0.00 178.83 177.27 1mbh h ARG 102 N 1.25 0.64 -0.21 1.69 2.47 -0.46 -1.05 114.38 118.71 1mbh h ARG 102 Ca 0.33 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1mbh h ARG 102 Cb -0.10 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.05 1mbh h ARG 102 CO -0.07 0.47 0.01 0.28 0.56 0.00 0.00 179.97 181.22 1mbh h VAL 103 N 0.62 0.86 -0.05 2.04 2.07 -0.55 -0.28 116.25 120.96 1mbh h VAL 103 Ca 0.17 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1mbh h VAL 103 Cb 0.00 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1mbh h VAL 103 CO -0.03 0.01 -0.23 0.40 0.02 0.00 0.00 177.57 177.74 1mbh h ILE 104 N 0.07 0.45 -0.20 4.57 2.04 -0.96 0.12 117.51 123.62 1mbh h ILE 104 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1mbh h ILE 104 Cb 0.12 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1mbh h ILE 104 CO -0.16 0.00 -0.07 -0.08 0.00 0.00 0.00 178.15 177.84 1mbh h GLU 105 N -0.34 -0.04 -0.34 2.37 4.22 -0.82 0.83 114.58 120.46 1mbh h GLU 105 Ca 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 1mbh h GLU 105 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1mbh h GLU 105 CO -0.24 -0.03 0.16 -0.07 -2.18 0.00 0.00 179.01 176.65 1mbh h LEU 106 N -0.04 0.46 -1.32 1.64 3.38 -0.74 -2.45 115.31 116.23 1mbh h LEU 106 Ca 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1mbh h LEU 106 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1mbh h LEU 106 CO -0.23 0.47 0.02 0.58 0.09 0.00 0.00 178.44 179.36 1mbh h VAL 107 N 0.42 1.18 0.00 1.22 2.07 -0.42 0.12 116.25 120.83 1mbh h VAL 107 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1mbh h VAL 107 Cb 0.14 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1mbh h VAL 107 CO -0.01 0.24 -0.05 -0.61 0.02 0.00 0.00 177.57 177.15 1mbh h GLN 108 N 0.45 0.00 0.00 1.57 4.15 -0.46 0.46 115.11 121.29 1mbh h GLN 108 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1mbh h GLN 108 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1mbh h GLN 108 CO 0.01 0.05 -0.37 1.63 -1.93 0.00 0.00 178.83 178.22 1mbh n LYS 109 N -3.19 0.33 0.21 1.69 5.02 -0.38 -4.52 118.16 117.32 1mbh n LYS 109 Ca 0.00 0.45 0.12 0.00 -2.02 0.00 0.00 58.31 56.86 1mbh n LYS 109 Cb 0.32 -1.43 0.21 0.00 -0.02 0.00 0.00 35.03 34.11 1mbh n LYS 109 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1mbh h TYR 110 N -0.72 0.00 0.00 2.13 0.05 -0.93 -3.50 116.97 114.00 1mbh h TYR 110 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1mbh h TYR 110 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1mbh h TYR 110 CO -0.16 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.36 1mbh n GLY 111 N 1.08 -0.73 3.50 3.88 0.00 0.16 -4.95 105.19 108.13 1mbh n GLY 111 Ca 0.04 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.71 -2.16 0.00 1.61 -0.04 -1.26 -4.67 135.00 127.77 1mbh n PRO 112 Ca 0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1mbh n PRO 112 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 -4.84 0.00 -3.81 0.54 5.02 -1.26 -4.89 118.16 108.92 1mbh n LYS 113 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 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 0.00 -4.60 0.29 1.97 1.74 -1.26 -4.82 116.66 109.98 1mbh n ARG 114 Ca 0.00 0.54 0.18 0.00 -0.77 0.00 0.00 57.85 57.80 1mbh n ARG 114 Cb 0.00 -5.37 0.86 0.00 -1.02 0.00 0.00 32.46 26.93 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 -1.70 0.00 -0.39 -1.55 4.06 -1.91 -2.13 115.95 112.32 1mbh h TRP 115 Ca -0.55 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.37 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 0.60 0.03 0.11 0.77 -3.56 0.00 0.00 178.44 176.40 1mbh h SER 116 N 0.00 0.58 -0.10 -3.49 0.02 -1.92 0.13 113.55 108.77 1mbh h SER 116 Ca -0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1mbh h SER 116 Cb 0.33 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1mbh h SER 116 CO 0.00 0.64 -0.03 0.58 -1.14 0.00 0.00 176.83 176.89 1mbh h VAL 117 N 0.49 1.29 -0.76 2.27 2.07 -1.78 -1.29 116.25 118.54 1mbh h VAL 117 Ca 0.12 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1mbh h VAL 117 Cb 0.27 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1mbh h VAL 117 CO -0.00 0.27 0.48 0.40 0.02 0.00 0.00 177.57 178.74 1mbh h ILE 118 N -0.14 1.11 -0.60 4.57 2.04 -1.40 -2.31 117.51 120.77 1mbh h ILE 118 Ca 0.02 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1mbh h ILE 118 Cb 0.44 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1mbh h ILE 118 CO 0.01 0.17 0.12 0.00 0.00 0.00 0.00 178.15 178.45 1mbh h ALA 119 N 1.33 0.79 -0.24 1.87 0.00 -0.66 -0.30 119.26 122.05 1mbh h ALA 119 Ca 0.31 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mbh h ALA 119 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mbh h ALA 119 CO -0.12 0.52 0.20 0.87 0.00 0.00 0.00 179.25 180.73 1mbh h LYS 120 N 0.88 0.00 0.07 0.00 1.57 -0.68 -1.98 116.57 116.43 1mbh h LYS 120 Ca 0.18 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.73 1mbh h LYS 120 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1mbh h LYS 120 CO 0.01 0.00 -1.22 0.45 -0.57 0.00 0.00 179.45 178.12 1mbh h HIS 121 N 0.00 0.28 -0.28 -1.35 3.86 -1.16 -3.39 115.15 113.11 1mbh h HIS 121 Ca 0.11 -0.20 -0.71 0.00 -1.16 0.00 0.00 60.37 58.41 1mbh h HIS 121 Cb 0.52 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 1mbh h HIS 121 CO 0.00 1.48 2.87 1.28 0.86 0.00 0.00 177.93 184.41 1mbh n LEU 122 N -4.12 6.45 -4.56 2.43 4.77 -0.17 -4.90 117.00 116.89 1mbh n LEU 122 Ca -0.25 -4.13 -0.20 0.00 -0.03 0.00 0.00 56.01 51.40 1mbh n LEU 122 Cb 0.80 -1.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 1mbh n LEU 122 CO 0.35 0.93 1.27 -0.54 -1.33 0.00 0.00 177.39 178.06 1mbh s LYS 123 N 3.23 2.01 0.00 3.23 1.02 -1.23 -1.95 119.74 126.05 1mbh s LYS 123 Ca 0.48 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1mbh s LYS 123 Cb 0.12 -4.93 0.00 0.00 -0.52 0.00 0.00 37.83 32.50 1mbh s LYS 123 CO -0.05 -4.04 0.00 0.41 -0.92 0.00 0.00 175.35 170.75 1mbh n GLY 124 N 6.77 0.81 3.18 -3.33 0.00 -1.26 -5.12 105.19 106.23 1mbh n GLY 124 Ca 0.44 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 2.87 0.90 1.61 1.81 -0.82 -5.13 118.95 120.18 1mbh s ARG 125 Ca 0.00 -0.81 -0.13 0.00 -1.72 0.00 0.00 55.73 53.07 1mbh s ARG 125 Cb 0.00 -2.23 0.13 0.00 -0.45 0.00 0.00 34.95 32.40 1mbh s ARG 125 CO 0.00 0.09 1.16 0.96 -0.68 0.00 0.00 175.30 176.83 1mbh s ILE 126 N 0.56 1.99 0.28 1.52 -4.36 -1.26 -4.64 121.20 115.29 1mbh s ILE 126 Ca -0.14 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.27 1mbh s ILE 126 Cb -0.17 -2.81 0.28 0.00 1.25 0.00 0.00 42.46 41.02 1mbh s ILE 126 CO 0.05 0.00 1.82 1.23 0.24 0.00 0.00 174.94 178.27 1mbh h GLY 127 N -1.44 1.65 0.73 6.27 0.00 -1.93 -1.06 103.07 107.28 1mbh h GLY 127 Ca -0.49 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.46 1mbh h GLY 127 CO 0.61 0.11 -0.05 1.70 0.00 0.00 0.00 176.54 178.90 1mbh h LYS 128 N 0.93 -0.05 0.12 4.80 3.64 -1.92 0.75 116.57 124.85 1mbh h LYS 128 Ca 0.51 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1mbh h LYS 128 Cb 0.57 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1mbh h LYS 128 CO -0.29 -0.03 -0.06 1.96 -2.27 0.00 0.00 179.45 178.76 1mbh h GLN 129 N -0.05 -0.16 -0.66 1.90 4.20 -1.74 -0.36 115.11 118.23 1mbh h GLN 129 Ca 0.06 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1mbh h GLN 129 Cb 0.13 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 1mbh h GLN 129 CO -0.13 0.11 0.12 0.00 -0.67 0.00 0.00 178.83 178.26 1mbh h ARG 131 N 0.23 -0.13 -0.26 0.00 1.12 -0.70 -2.95 114.38 111.70 1mbh h ARG 131 Ca 0.36 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.29 1mbh h ARG 131 Cb 0.57 0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.50 1mbh h ARG 131 CO -0.47 0.02 -0.14 1.49 -3.11 0.00 0.00 179.97 177.75 1mbh h GLU 132 N -0.25 -0.11 -0.87 0.20 4.81 -0.06 0.65 114.58 118.95 1mbh h GLU 132 Ca -0.01 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.43 1mbh h GLU 132 Cb 0.20 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 1mbh h GLU 132 CO 0.02 -0.08 0.34 -0.09 -0.73 0.00 0.00 179.01 178.48 1mbh h ARG 133 N -0.12 0.36 0.04 1.92 9.65 -0.86 -1.84 114.38 123.52 1mbh h ARG 133 Ca 0.14 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.78 1mbh h ARG 133 Cb 0.33 -0.08 0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1mbh h ARG 133 CO -0.33 0.24 -0.88 2.35 2.80 0.00 0.00 179.97 184.15 1mbh h TRP 134 N 0.37 0.81 -0.19 2.20 2.91 -1.05 -2.29 115.95 118.70 1mbh h TRP 134 Ca 0.53 -0.47 -0.08 0.00 1.13 0.00 0.00 58.89 60.00 1mbh h TRP 134 Cb 0.99 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.51 1mbh h TRP 134 CO -0.17 1.31 0.10 0.72 -1.03 0.00 0.00 178.44 179.37 1mbh n HIS 135 N -4.02 0.62 0.14 2.65 8.25 0.10 -3.91 115.22 119.05 1mbh n HIS 135 Ca -0.12 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1mbh n HIS 135 Cb 0.81 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.13 -0.28 0.00 0.41 3.02 -1.00 -4.99 115.26 112.55 1mbh n ASN 136 Ca 0.11 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1mbh n ASN 136 Cb 0.67 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 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 -3.43 0.00 -1.52 3.10 8.25 -0.86 -4.89 115.22 115.86 1mbh n HIS 137 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1mbh n HIS 137 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1mbh n HIS 137 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1mbh n LEU 138 N 0.00 2.18 -0.10 2.41 -0.00 -1.26 -4.82 117.00 115.41 1mbh n LEU 138 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.86 1mbh n LEU 138 Cb 0.00 -1.40 -0.15 0.00 -0.00 0.00 0.00 43.42 41.86 1mbh n LEU 138 CO 0.00 -1.07 -1.14 -3.20 -0.00 0.00 0.00 177.39 171.99 1mbh n ASN 139 N 12.78 0.48 -4.75 1.45 2.85 -1.25 -4.57 115.26 122.25 1mbh n ASN 139 Ca 0.41 0.01 -0.41 0.00 -0.11 0.00 0.00 54.58 54.48 1mbh n ASN 139 Cb 0.37 0.62 -0.03 0.00 1.24 0.00 0.00 39.78 41.98 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 -2.51 4.35 0.00 1.20 0.05 -1.26 -5.06 135.00 131.78 1mbh s PRO 140 Ca -0.14 2.15 0.32 0.00 0.05 0.00 0.00 61.00 63.37 1mbh s PRO 140 Cb 0.07 -3.14 1.88 0.00 0.05 0.00 0.00 34.50 33.36 1mbh s PRO 140 CO 0.79 -0.27 2.21 0.39 0.05 0.00 0.00 177.00 180.16