#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 5.13 -0.39 -0.08 -1.09 -1.26 -4.95 121.20 118.57 1mbh s ILE 91 Ca 0.00 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.38 1mbh s ILE 91 Cb 0.00 -3.30 0.18 0.00 -1.58 0.00 0.00 42.46 37.76 1mbh s ILE 91 CO 0.00 0.46 0.59 -0.75 -1.23 0.00 0.00 174.94 174.01 1mbh s LYS 92 N -1.45 0.75 1.73 2.79 2.20 -1.26 -5.13 119.74 119.37 1mbh s LYS 92 Ca 0.20 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1mbh s LYS 92 Cb -0.12 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1mbh s LYS 92 CO 0.10 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.34 1mbh n GLY 93 N 4.56 -1.24 2.90 5.54 0.00 -1.26 -3.91 105.19 111.79 1mbh n GLY 93 Ca 0.10 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.50 2.18 -1.12 1.61 -0.04 -1.26 -4.87 135.00 130.00 1mbh n PRO 94 Ca 0.00 -2.19 0.15 0.00 -0.04 0.00 0.00 63.50 61.42 1mbh n PRO 94 Cb 0.00 -3.08 -0.04 0.00 -0.04 0.00 0.00 33.50 30.35 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 6.71 -3.27 -4.12 0.54 7.02 -1.25 -4.98 117.44 118.08 1mbh n TRP 95 Ca 0.51 1.39 -0.10 0.00 -1.02 0.00 0.00 57.50 58.29 1mbh n TRP 95 Cb 0.39 -2.51 -0.10 0.00 -2.42 0.00 0.00 31.31 26.67 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 -1.72 0.51 0.18 -0.99 -4.23 -1.26 -4.97 115.64 103.16 1mbh s THR 96 Ca 0.00 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1mbh s THR 96 Cb 0.00 -1.45 0.10 0.00 1.34 0.00 0.00 72.50 72.49 1mbh s THR 96 CO 0.00 -0.84 1.82 0.50 -0.54 0.00 0.00 174.62 175.56 1mbh h LYS 97 N 3.27 0.85 0.49 3.99 3.64 -1.98 -0.31 116.57 126.52 1mbh h LYS 97 Ca -0.35 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1mbh h LYS 97 Cb 1.16 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1mbh h LYS 97 CO 0.61 0.61 -0.34 1.49 -2.27 0.00 0.00 179.45 179.55 1mbh h GLU 98 N 0.85 -0.78 -0.82 1.90 4.22 -1.99 0.55 114.58 118.51 1mbh h GLU 98 Ca 0.22 0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.78 1mbh h GLU 98 Cb -0.01 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1mbh h GLU 98 CO -0.04 -0.52 0.50 0.93 -2.18 0.00 0.00 179.01 177.70 1mbh h GLU 99 N -0.81 0.89 -0.75 1.92 5.08 -1.96 -1.13 114.58 117.82 1mbh h GLU 99 Ca -0.05 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1mbh h GLU 99 Cb 0.68 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1mbh h GLU 99 CO 0.03 0.59 0.46 -0.44 -1.00 0.00 0.00 179.01 178.65 1mbh h ASP 100 N 0.92 0.75 -0.99 1.42 5.19 -0.68 -1.19 116.42 121.85 1mbh h ASP 100 Ca 0.36 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.81 1mbh h ASP 100 Cb 0.16 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.46 1mbh h ASP 100 CO -0.17 0.50 0.65 -0.61 -3.12 0.00 0.00 179.24 176.49 1mbh h GLN 101 N 0.89 1.20 -0.19 3.56 5.75 0.36 0.55 115.11 127.22 1mbh h GLN 101 Ca 0.31 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1mbh h GLN 101 Cb 0.08 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 1mbh h GLN 101 CO -0.13 0.79 0.07 0.00 -2.65 0.00 0.00 178.83 176.91 1mbh h ARG 102 N 1.24 0.29 -0.18 1.69 3.08 -0.70 -0.88 114.38 118.91 1mbh h ARG 102 Ca 0.40 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.42 1mbh h ARG 102 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1mbh h ARG 102 CO -0.13 0.38 -0.02 0.28 -1.07 0.00 0.00 179.97 179.41 1mbh h VAL 103 N 0.14 0.85 -0.57 2.04 2.07 -0.56 0.45 116.25 120.67 1mbh h VAL 103 Ca 0.06 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1mbh h VAL 103 Cb 0.20 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1mbh h VAL 103 CO -0.00 0.01 0.24 0.40 0.02 0.00 0.00 177.57 178.23 1mbh h ILE 104 N 0.03 0.84 -0.23 4.57 2.04 -0.76 0.21 117.51 124.21 1mbh h ILE 104 Ca 0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1mbh h ILE 104 Cb 0.12 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1mbh h ILE 104 CO -0.16 0.08 0.09 -0.08 0.00 0.00 0.00 178.15 178.08 1mbh h GLU 105 N 0.44 0.35 -0.24 2.37 4.81 -0.56 0.45 114.58 122.20 1mbh h GLU 105 Ca 0.28 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1mbh h GLU 105 Cb 0.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1mbh h GLU 105 CO -0.25 0.39 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.16 1mbh h LEU 106 N 0.22 0.42 -0.03 1.64 3.38 -0.37 -0.79 115.31 119.78 1mbh h LEU 106 Ca 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1mbh h LEU 106 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mbh h LEU 106 CO -0.01 0.63 -0.10 0.58 0.09 0.00 0.00 178.44 179.64 1mbh h VAL 107 N 0.39 1.47 0.00 1.22 2.07 -0.41 0.77 116.25 121.75 1mbh h VAL 107 Ca 0.07 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1mbh h VAL 107 Cb 0.56 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1mbh h VAL 107 CO 0.04 0.41 -0.01 -0.61 0.02 0.00 0.00 177.57 177.42 1mbh h GLN 108 N -0.45 0.00 0.00 1.57 4.15 -0.78 0.61 115.11 120.21 1mbh h GLN 108 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1mbh h GLN 108 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1mbh h GLN 108 CO 0.02 0.01 -0.06 -0.22 -1.93 0.00 0.00 178.83 176.66 1mbh h LYS 109 N 0.00 0.00 0.14 1.69 3.64 -1.04 -3.41 116.57 117.58 1mbh h LYS 109 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1mbh h LYS 109 Cb 0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1mbh h LYS 109 CO 0.00 0.00 -1.34 1.88 -2.27 0.00 0.00 179.45 177.72 1mbh h TYR 110 N -0.86 0.53 0.00 1.91 0.05 -0.85 -3.51 116.97 114.24 1mbh h TYR 110 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1mbh h TYR 110 Cb 0.06 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1mbh h TYR 110 CO -0.02 1.52 0.00 0.41 -1.05 0.00 0.00 178.16 179.02 1mbh n GLY 111 N 1.74 1.83 3.43 3.88 0.00 0.21 -5.04 105.19 111.24 1mbh n GLY 111 Ca -0.22 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.84 -1.56 1.06 1.61 0.04 -1.26 -4.72 135.00 128.33 1mbh s PRO 112 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1mbh s PRO 112 Cb 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1mbh s PRO 112 CO 0.00 -4.09 0.00 1.63 0.04 0.00 0.00 177.00 174.58 1mbh n LYS 113 N -5.14 -1.01 -3.95 4.56 5.02 -1.26 -4.90 118.16 111.48 1mbh n LYS 113 Ca 0.05 0.67 -0.31 0.00 -2.02 0.00 0.00 58.31 56.70 1mbh n LYS 113 Cb 0.56 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.39 -5.22 0.19 1.97 1.74 -1.26 -4.82 116.66 106.87 1mbh n ARG 114 Ca 0.00 0.57 0.14 0.00 -0.77 0.00 0.00 57.85 57.79 1mbh n ARG 114 Cb 0.23 -5.43 0.68 0.00 -1.02 0.00 0.00 32.46 26.92 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 -2.02 0.00 -0.46 -1.55 4.06 -1.94 -0.92 115.95 113.12 1mbh h TRP 115 Ca -0.58 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.29 1mbh h TRP 115 Cb 1.38 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.52 1mbh h TRP 115 CO 0.57 0.00 -0.04 1.03 -3.56 0.00 0.00 178.44 176.44 1mbh h SER 116 N 0.00 0.77 0.11 -3.49 0.87 -1.92 0.11 113.55 109.99 1mbh h SER 116 Ca 0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1mbh h SER 116 Cb 0.14 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1mbh h SER 116 CO 0.00 0.86 -0.05 0.58 -0.53 0.00 0.00 176.83 177.69 1mbh h VAL 117 N 0.73 1.08 -0.92 2.23 2.07 -1.53 -1.32 116.25 118.60 1mbh h VAL 117 Ca 0.14 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1mbh h VAL 117 Cb 0.51 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1mbh h VAL 117 CO 0.03 0.19 0.57 0.40 0.02 0.00 0.00 177.57 178.77 1mbh h ILE 118 N -0.52 1.25 -0.62 4.57 2.04 -1.52 -2.28 117.51 120.43 1mbh h ILE 118 Ca -0.01 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1mbh h ILE 118 Cb 0.42 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1mbh h ILE 118 CO 0.02 0.26 0.31 0.00 0.00 0.00 0.00 178.15 178.74 1mbh h ALA 119 N 1.35 0.80 0.00 1.87 0.00 -0.72 0.31 119.26 122.88 1mbh h ALA 119 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1mbh h ALA 119 Cb -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1mbh h ALA 119 CO -0.06 0.36 -0.01 0.87 0.00 0.00 0.00 179.25 180.41 1mbh h LYS 120 N 0.86 0.00 0.05 0.00 1.57 -0.66 -2.49 116.57 115.89 1mbh h LYS 120 Ca 0.22 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 1mbh h LYS 120 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1mbh h LYS 120 CO -0.03 0.01 -0.84 0.45 -0.57 0.00 0.00 179.45 178.47 1mbh h HIS 121 N 0.00 0.18 -0.43 -1.35 3.86 -1.05 -3.36 115.15 113.00 1mbh h HIS 121 Ca -0.00 -0.13 -0.71 0.00 -1.16 0.00 0.00 60.37 58.37 1mbh h HIS 121 Cb 0.03 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1mbh h HIS 121 CO 0.00 1.33 3.13 1.28 0.86 0.00 0.00 177.93 184.52 1mbh n LEU 122 N -4.32 7.85 -4.43 2.43 4.77 0.02 -4.94 117.00 118.39 1mbh n LEU 122 Ca -0.21 -4.46 -0.51 0.00 -0.03 0.00 0.00 56.01 50.80 1mbh n LEU 122 Cb 0.69 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.17 1mbh n LEU 122 CO 0.33 1.73 1.81 0.29 -1.33 0.00 0.00 177.39 180.22 1mbh n LYS 123 N 3.88 0.94 0.00 3.23 5.02 -1.18 -1.22 118.16 128.82 1mbh n LYS 123 Ca 0.63 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1mbh n LYS 123 Cb 0.29 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 6.64 4.26 3.42 0.72 0.00 -1.26 -5.07 105.19 113.91 1mbh n GLY 124 Ca 0.43 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 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 3.10 1.26 1.61 1.81 -0.36 -5.02 118.95 121.35 1mbh s ARG 125 Ca 0.00 -1.04 -0.18 0.00 -1.72 0.00 0.00 55.73 52.79 1mbh s ARG 125 Cb 0.00 -4.16 0.31 0.00 -0.45 0.00 0.00 34.95 30.65 1mbh s ARG 125 CO 0.00 -1.35 1.02 0.96 -0.68 0.00 0.00 175.30 175.25 1mbh s ILE 126 N 2.69 1.60 -0.95 1.52 -4.36 -1.26 -4.50 121.20 115.95 1mbh s ILE 126 Ca 0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.32 1mbh s ILE 126 Cb -0.21 -2.23 -0.11 0.00 1.25 0.00 0.00 42.46 41.16 1mbh s ILE 126 CO 0.10 0.00 1.96 0.61 0.24 0.00 0.00 174.94 177.85 1mbh n GLY 127 N 0.34 2.55 0.50 6.27 0.00 -1.26 -2.59 105.19 111.00 1mbh n GLY 127 Ca 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 7.16 0.00 0.07 1.61 4.81 -1.26 -4.91 118.16 125.63 1mbh n LYS 128 Ca 0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.80 1mbh n LYS 128 Cb 0.41 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.39 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 -0.12 -0.52 1.64 1.08 -1.82 0.10 115.11 115.47 1mbh h GLN 129 Ca 0.00 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1mbh h GLN 129 Cb 0.00 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1mbh h GLN 129 CO 0.00 0.05 0.26 0.00 -0.95 0.00 0.00 178.83 178.19 1mbh h ARG 131 N 0.51 -0.76 -0.69 0.00 1.12 -1.80 -2.63 114.38 110.14 1mbh h ARG 131 Ca 0.23 0.05 0.11 0.00 -1.11 0.00 0.00 59.98 59.26 1mbh h ARG 131 Cb 0.13 0.17 -0.08 0.00 -0.01 0.00 0.00 29.97 30.18 1mbh h ARG 131 CO -0.16 -0.51 0.28 0.93 -3.11 0.00 0.00 179.97 177.41 1mbh h GLU 132 N -0.79 0.45 -0.89 0.20 5.08 -0.56 0.33 114.58 118.41 1mbh h GLU 132 Ca -0.07 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1mbh h GLU 132 Cb 0.61 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1mbh h GLU 132 CO 0.11 0.30 0.51 -0.09 -1.00 0.00 0.00 179.01 178.84 1mbh h ARG 133 N 0.46 0.77 -0.63 2.33 9.65 -0.91 -0.15 114.38 125.90 1mbh h ARG 133 Ca 0.36 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1mbh h ARG 133 Cb 0.47 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1mbh h ARG 133 CO -0.34 0.51 0.00 1.87 2.80 0.00 0.00 179.97 184.81 1mbh n TRP 134 N -4.75 1.22 -2.79 2.20 -0.00 -0.06 -2.99 117.44 110.27 1mbh n TRP 134 Ca 0.16 -0.48 -0.00 0.00 -0.00 0.00 0.00 57.50 57.19 1mbh n TRP 134 Cb 0.36 -0.22 0.06 0.00 -0.00 0.00 0.00 31.31 31.50 1mbh n TRP 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1mbh n HIS 135 N 0.82 0.76 0.00 5.87 8.25 -0.10 -4.24 115.22 126.57 1mbh n HIS 135 Ca 0.20 -1.97 0.00 0.00 -0.26 0.00 0.00 57.72 55.69 1mbh n HIS 135 Cb 0.75 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.65 0.00 -0.06 0.41 3.02 -0.98 -4.88 115.26 112.12 1mbh n ASN 136 Ca 0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.53 1mbh n ASN 136 Cb 0.83 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.51 0.54 -2.58 3.10 1.44 -1.26 -4.96 115.22 109.99 1mbh n HIS 137 Ca 0.00 0.23 -0.32 0.00 -2.01 0.00 0.00 57.72 55.62 1mbh n HIS 137 Cb 0.00 -0.61 -0.04 0.00 0.12 0.00 0.00 29.99 29.46 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mbh s LEU 138 N -7.59 3.73 0.00 2.39 1.02 -1.16 -4.88 118.68 112.20 1mbh s LEU 138 Ca -0.16 1.52 0.00 0.00 0.02 0.00 0.00 54.13 55.50 1mbh s LEU 138 Cb 0.02 -4.42 0.00 0.00 0.02 0.00 0.00 46.19 41.81 1mbh s LEU 138 CO 0.24 -0.50 0.00 -3.20 0.02 0.00 0.00 176.35 172.91 1mbh n ASN 139 N -1.30 0.00 -4.68 2.29 2.85 -1.26 -3.03 115.26 110.13 1mbh n ASN 139 Ca 0.06 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.11 1mbh n ASN 139 Cb 0.54 0.02 -0.03 0.00 1.24 0.00 0.00 39.78 41.55 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 -1.32 4.26 0.00 1.20 0.05 -1.26 -5.06 135.00 132.87 1mbh s PRO 140 Ca 0.00 1.98 0.32 0.00 0.05 0.00 0.00 61.00 63.35 1mbh s PRO 140 Cb 0.00 -3.66 1.90 0.00 0.05 0.00 0.00 34.50 32.79 1mbh s PRO 140 CO 0.00 -0.64 2.22 0.39 0.05 0.00 0.00 177.00 179.02