#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 4.54 -1.35 1.47 -1.09 -1.26 -4.94 121.20 118.57 1mbh s ILE 91 Ca 0.00 1.19 -0.14 0.00 -2.23 0.00 0.00 60.65 59.47 1mbh s ILE 91 Cb 0.00 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1mbh s ILE 91 CO 0.00 -0.40 2.30 1.17 -1.23 0.00 0.00 174.94 176.77 1mbh n LYS 92 N -0.89 2.74 -0.59 2.79 4.81 -1.26 -4.88 118.16 120.87 1mbh n LYS 92 Ca 0.06 -2.35 0.08 0.00 -0.87 0.00 0.00 58.31 55.22 1mbh n LYS 92 Cb 0.54 -3.10 -0.02 0.00 0.02 0.00 0.00 35.03 32.46 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mbh n GLY 93 N 4.07 -1.64 2.29 3.14 0.00 -1.26 -3.80 105.19 107.99 1mbh n GLY 93 Ca 0.56 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.54 2.86 -1.38 1.61 -0.04 -1.26 -4.89 135.00 129.36 1mbh n PRO 94 Ca 0.00 -1.69 0.17 0.00 -0.04 0.00 0.00 63.50 61.95 1mbh n PRO 94 Cb 0.27 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.41 -3.60 -4.04 0.54 7.02 -1.25 -5.01 117.44 114.50 1mbh n TRP 95 Ca 0.61 1.91 -0.09 0.00 -1.02 0.00 0.00 57.50 58.91 1mbh n TRP 95 Cb 0.38 -3.28 -0.11 0.00 -2.42 0.00 0.00 31.31 25.88 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 -3.41 0.26 0.32 -0.99 -4.23 -1.26 -5.04 115.64 101.29 1mbh s THR 96 Ca 0.00 -1.29 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1mbh s THR 96 Cb 0.00 -0.81 0.30 0.00 1.34 0.00 0.00 72.50 73.33 1mbh s THR 96 CO 0.00 -0.66 1.87 0.50 -0.54 0.00 0.00 174.62 175.79 1mbh h LYS 97 N 4.04 0.84 -0.34 3.99 3.64 -1.98 0.66 116.57 127.42 1mbh h LYS 97 Ca -0.33 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1mbh h LYS 97 Cb 1.18 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1mbh h LYS 97 CO 0.50 0.56 0.12 1.49 -2.27 0.00 0.00 179.45 179.85 1mbh h GLU 98 N 0.87 0.52 -0.58 1.90 4.81 -1.99 0.69 114.58 120.79 1mbh h GLU 98 Ca 0.45 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1mbh h GLU 98 Cb 0.52 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1mbh h GLU 98 CO -0.21 0.54 0.04 0.93 -0.73 0.00 0.00 179.01 179.57 1mbh h GLU 99 N 0.40 1.00 -0.86 1.92 5.08 -1.70 -2.53 114.58 117.90 1mbh h GLU 99 Ca 0.11 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1mbh h GLU 99 Cb 0.22 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1mbh h GLU 99 CO -0.01 0.98 0.52 -0.44 -1.00 0.00 0.00 179.01 179.06 1mbh h ASP 100 N 0.90 1.03 -0.88 1.42 3.32 -0.67 -2.06 116.42 119.47 1mbh h ASP 100 Ca 0.17 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.25 1mbh h ASP 100 Cb 0.50 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 1mbh h ASP 100 CO 0.02 0.79 0.53 -0.61 -1.72 0.00 0.00 179.24 178.25 1mbh h GLN 101 N 1.18 0.87 -0.14 3.56 5.75 -0.45 0.21 115.11 126.08 1mbh h GLN 101 Ca 0.31 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1mbh h GLN 101 Cb -0.06 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 1mbh h GLN 101 CO -0.06 0.58 0.07 0.00 -2.65 0.00 0.00 178.83 176.77 1mbh h ARG 102 N 0.90 0.21 -0.38 1.69 3.08 -1.06 -1.21 114.38 117.62 1mbh h ARG 102 Ca 0.42 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.48 1mbh h ARG 102 Cb 0.34 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1mbh h ARG 102 CO -0.23 0.27 0.14 0.28 -1.07 0.00 0.00 179.97 179.35 1mbh h VAL 103 N 0.10 0.90 -0.03 2.04 2.07 -0.88 0.63 116.25 121.08 1mbh h VAL 103 Ca 0.05 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1mbh h VAL 103 Cb 0.13 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1mbh h VAL 103 CO -0.01 0.05 -0.24 0.40 0.02 0.00 0.00 177.57 177.80 1mbh h ILE 104 N 0.29 0.44 0.04 4.57 2.04 -0.76 0.55 117.51 124.68 1mbh h ILE 104 Ca 0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1mbh h ILE 104 Cb 0.14 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1mbh h ILE 104 CO -0.17 0.00 -0.06 -0.08 0.00 0.00 0.00 178.15 177.84 1mbh h GLU 105 N -0.35 -0.11 -0.67 2.37 4.81 -0.81 -0.48 114.58 119.34 1mbh h GLU 105 Ca 0.07 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1mbh h GLU 105 Cb 0.45 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1mbh h GLU 105 CO -0.24 -0.08 0.40 -0.07 -0.73 0.00 0.00 179.01 178.30 1mbh h LEU 106 N -0.12 0.63 -0.39 1.64 3.38 -0.57 0.28 115.31 120.16 1mbh h LEU 106 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1mbh h LEU 106 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1mbh h LEU 106 CO -0.03 0.42 -0.09 0.58 0.09 0.00 0.00 178.44 179.41 1mbh h VAL 107 N 0.76 1.28 -0.08 1.22 2.07 -0.70 0.32 116.25 121.11 1mbh h VAL 107 Ca 0.28 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1mbh h VAL 107 Cb 0.10 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1mbh h VAL 107 CO -0.14 0.39 -0.25 -0.61 0.02 0.00 0.00 177.57 176.98 1mbh h GLN 108 N 0.55 0.14 0.30 1.57 4.15 -0.57 0.14 115.11 121.40 1mbh h GLN 108 Ca 0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1mbh h GLN 108 Cb 0.61 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1mbh h GLN 108 CO 0.04 0.39 -0.15 -0.22 -1.93 0.00 0.00 178.83 176.96 1mbh h LYS 109 N 0.13 -0.39 0.00 1.69 3.64 -0.13 -3.42 116.57 118.08 1mbh h LYS 109 Ca 0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1mbh h LYS 109 Cb 0.52 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1mbh h LYS 109 CO 0.04 -0.25 0.00 0.66 -2.27 0.00 0.00 179.45 177.62 1mbh n TYR 110 N -5.05 0.00 0.00 1.91 4.01 0.07 -5.09 117.16 113.02 1mbh n TYR 110 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1mbh n TYR 110 Cb 0.16 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 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 1.95 0.31 3.49 2.72 0.00 0.48 -5.03 105.19 109.12 1mbh n GLY 111 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.91 -1.02 3.86 1.61 0.04 -1.26 -4.56 135.00 131.77 1mbh s PRO 112 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 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 -3.75 0.00 1.63 0.04 0.00 0.00 177.00 174.92 1mbh n LYS 113 N -4.92 0.00 -3.90 4.56 4.76 -1.26 -4.90 118.16 112.50 1mbh n LYS 113 Ca 0.03 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.19 1mbh n LYS 113 Cb 0.55 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.76 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 0.00 -4.95 0.28 1.97 1.74 -1.26 -4.83 116.66 109.61 1mbh n ARG 114 Ca 0.00 0.56 0.19 0.00 -0.77 0.00 0.00 57.85 57.83 1mbh n ARG 114 Cb 0.00 -5.29 0.86 0.00 -1.02 0.00 0.00 32.46 27.01 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 -1.96 0.00 -0.35 -1.55 4.06 -1.95 -1.67 115.95 112.54 1mbh h TRP 115 Ca -0.59 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.25 1mbh h TRP 115 Cb 1.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.52 1mbh h TRP 115 CO 0.55 0.00 -0.21 0.77 -3.56 0.00 0.00 178.44 175.98 1mbh h SER 116 N 0.00 0.80 -0.03 -3.49 0.02 -1.93 0.50 113.55 109.42 1mbh h SER 116 Ca 0.00 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1mbh h SER 116 Cb 0.29 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1mbh h SER 116 CO 0.00 1.05 -0.02 0.58 -1.14 0.00 0.00 176.83 177.30 1mbh h VAL 117 N 0.55 1.35 -0.65 2.27 2.07 -1.70 -0.93 116.25 119.19 1mbh h VAL 117 Ca 0.07 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.55 1mbh h VAL 117 Cb 0.77 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1mbh h VAL 117 CO 0.06 0.29 0.41 0.40 0.02 0.00 0.00 177.57 178.74 1mbh h ILE 118 N -0.34 1.09 -0.67 4.57 2.04 -1.39 -1.94 117.51 120.86 1mbh h ILE 118 Ca 0.01 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1mbh h ILE 118 Cb 0.47 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1mbh h ILE 118 CO 0.01 0.15 0.18 0.00 0.00 0.00 0.00 178.15 178.48 1mbh h ALA 119 N 1.28 1.05 -0.86 1.87 0.00 -0.87 -0.81 119.26 120.92 1mbh h ALA 119 Ca 0.26 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1mbh h ALA 119 Cb 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1mbh h ALA 119 CO -0.10 0.63 0.56 -0.22 0.00 0.00 0.00 179.25 180.13 1mbh h LYS 120 N 1.01 0.55 0.16 0.00 3.64 -0.37 -1.84 116.57 119.71 1mbh h LYS 120 Ca 0.22 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.30 1mbh h LYS 120 Cb 0.33 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1mbh h LYS 120 CO -0.00 0.37 -1.25 0.45 -2.27 0.00 0.00 179.45 176.74 1mbh h HIS 121 N 0.57 0.60 -0.25 1.91 3.86 -1.16 -3.36 115.15 117.32 1mbh h HIS 121 Ca 0.44 -0.44 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 1mbh h HIS 121 Cb 0.84 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.24 1mbh h HIS 121 CO -0.00 1.48 3.13 1.28 0.86 0.00 0.00 177.93 184.68 1mbh n LEU 122 N -3.93 7.38 -4.66 2.43 4.77 -0.35 -4.95 117.00 117.70 1mbh n LEU 122 Ca -0.20 -4.31 -0.52 0.00 -0.03 0.00 0.00 56.01 50.96 1mbh n LEU 122 Cb 0.93 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1mbh n LEU 122 CO 0.48 1.44 1.49 0.29 -1.33 0.00 0.00 177.39 179.76 1mbh n LYS 123 N 4.93 1.64 0.00 3.23 5.02 -1.20 -1.13 118.16 130.65 1mbh n LYS 123 Ca 0.58 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1mbh n LYS 123 Cb 0.34 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 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 4.69 2.88 3.93 0.72 0.00 -1.26 -5.10 105.19 111.05 1mbh n GLY 124 Ca 0.27 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 2.61 0.39 1.61 1.81 -0.28 -5.07 118.95 120.03 1mbh s ARG 125 Ca 0.00 -0.23 0.04 0.00 -1.72 0.00 0.00 55.73 53.82 1mbh s ARG 125 Cb 0.00 -2.28 -0.04 0.00 -0.45 0.00 0.00 34.95 32.18 1mbh s ARG 125 CO 0.00 -0.87 0.07 0.96 -0.68 0.00 0.00 175.30 174.77 1mbh s ILE 126 N -3.03 1.08 -1.29 1.52 -4.36 -1.26 -4.84 121.20 109.01 1mbh s ILE 126 Ca 0.56 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.82 1mbh s ILE 126 Cb -0.11 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1mbh s ILE 126 CO 0.44 0.00 2.37 0.61 0.24 0.00 0.00 174.94 178.60 1mbh n GLY 127 N -0.89 3.82 1.94 6.27 0.00 -1.26 -3.51 105.19 111.55 1mbh n GLY 127 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 5.21 0.00 -0.22 1.61 4.81 -1.26 -4.89 118.16 123.42 1mbh n LYS 128 Ca 0.58 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1mbh n LYS 128 Cb 0.30 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.47 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 0.50 -0.46 1.64 4.20 -1.99 -0.74 115.11 118.27 1mbh h GLN 129 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1mbh h GLN 129 Cb 0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1mbh h GLN 129 CO 0.00 0.33 0.30 0.00 -0.67 0.00 0.00 178.83 178.80 1mbh h ARG 131 N 0.62 -0.67 0.51 0.00 1.12 -1.57 -1.07 114.38 113.32 1mbh h ARG 131 Ca 0.17 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.07 1mbh h ARG 131 Cb -0.07 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 1mbh h ARG 131 CO -0.04 -0.44 -0.49 0.93 -3.11 0.00 0.00 179.97 176.82 1mbh h GLU 132 N -0.69 -0.96 -0.90 0.20 3.07 -1.02 -0.63 114.58 113.65 1mbh h GLU 132 Ca -0.02 0.07 0.25 0.00 -0.50 0.00 0.00 59.36 59.15 1mbh h GLU 132 Cb 0.62 0.22 -0.16 0.00 -0.84 0.00 0.00 28.75 28.60 1mbh h GLU 132 CO -0.06 -0.64 0.16 -0.09 -1.40 0.00 0.00 179.01 176.98 1mbh h ARG 133 N -0.99 0.12 0.63 2.33 9.65 -0.92 0.18 114.38 125.37 1mbh h ARG 133 Ca -0.06 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 1mbh h ARG 133 Cb 0.86 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1mbh h ARG 133 CO -0.05 0.08 -0.30 2.35 2.80 0.00 0.00 179.97 184.84 1mbh h TRP 134 N 0.12 -0.78 0.00 2.20 2.91 -0.69 -3.24 115.95 116.47 1mbh h TRP 134 Ca 0.57 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.57 1mbh h TRP 134 Cb 1.17 0.26 0.00 0.00 -0.51 0.00 0.00 29.16 30.08 1mbh h TRP 134 CO -0.34 -0.49 0.00 0.72 -1.03 0.00 0.00 178.44 177.30 1mbh n HIS 135 N -5.27 0.72 0.00 2.65 8.25 -0.29 -1.02 115.22 120.26 1mbh n HIS 135 Ca -0.10 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1mbh n HIS 135 Cb 0.33 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.45 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 -2.18 0.00 -0.03 0.41 3.02 0.56 -4.82 115.26 112.21 1mbh n ASN 136 Ca 0.01 0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.37 1mbh n ASN 136 Cb 0.17 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.27 1.06 0.00 3.10 -0.00 -1.22 -4.91 115.22 112.99 1mbh n HIS 137 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 1mbh n HIS 137 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 28.86 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1mbh n LEU 138 N -3.68 0.00 -1.46 2.41 4.32 -1.12 -4.92 117.00 112.54 1mbh n LEU 138 Ca -0.34 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.54 1mbh n LEU 138 Cb 0.96 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.77 1mbh n LEU 138 CO 0.35 0.00 -0.07 -3.20 -1.22 0.00 0.00 177.39 173.25 1mbh n ASN 139 N 0.00 -3.74 0.35 -1.43 2.85 -0.19 -4.89 115.26 108.20 1mbh n ASN 139 Ca 0.00 -0.08 -0.18 0.00 -0.11 0.00 0.00 54.58 54.21 1mbh n ASN 139 Cb 0.00 -2.81 -0.09 0.00 1.24 0.00 0.00 39.78 38.12 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 -0.37 -1.01 0.00 1.20 0.13 -1.91 -3.50 132.00 126.53 1mbh h PRO 140 Ca -0.27 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1mbh h PRO 140 Cb 1.19 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1mbh h PRO 140 CO 0.30 -0.67 0.00 0.39 -0.23 0.00 0.00 178.00 177.78