#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh n ILE 91 N 0.00 -8.87 -2.01 1.47 2.08 -1.26 -4.75 119.36 106.01 1mbh n ILE 91 Ca 0.00 2.02 -0.42 0.00 0.56 0.00 0.00 62.75 64.91 1mbh n ILE 91 Cb 0.00 -4.19 0.00 0.00 -0.75 0.00 0.00 39.64 34.70 1mbh n ILE 91 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1mbh n LYS 92 N 1.12 2.98 -0.67 0.38 4.81 -1.26 -4.94 118.16 120.59 1mbh n LYS 92 Ca 0.00 -2.84 -0.10 0.00 -0.87 0.00 0.00 58.31 54.49 1mbh n LYS 92 Cb 0.00 -3.34 0.07 0.00 0.02 0.00 0.00 35.03 31.79 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 4.43 -1.29 0.00 3.14 0.00 -1.26 -4.92 105.19 105.30 1mbh n GLY 93 Ca 0.51 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.01 0.69 -1.38 1.61 -0.04 -1.26 -5.00 135.00 127.62 1mbh n PRO 94 Ca 0.06 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.71 1mbh n PRO 94 Cb 0.21 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.86 -3.46 -4.14 0.54 7.02 -1.26 -4.97 117.44 110.32 1mbh n TRP 95 Ca 0.12 1.73 -0.13 0.00 -1.02 0.00 0.00 57.50 58.20 1mbh n TRP 95 Cb 0.06 -3.14 -0.11 0.00 -2.42 0.00 0.00 31.31 25.70 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 -2.26 0.76 0.38 -0.99 -4.23 -1.26 -5.04 115.64 102.99 1mbh s THR 96 Ca 0.00 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1mbh s THR 96 Cb 0.00 -1.18 0.30 0.00 1.34 0.00 0.00 72.50 72.95 1mbh s THR 96 CO 0.00 -0.56 1.97 0.50 -0.54 0.00 0.00 174.62 175.99 1mbh h LYS 97 N 3.75 0.66 -0.27 3.99 3.64 -1.98 0.25 116.57 126.61 1mbh h LYS 97 Ca -0.36 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 1mbh h LYS 97 Cb 1.19 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1mbh h LYS 97 CO 0.51 0.44 -0.18 1.49 -2.27 0.00 0.00 179.45 179.44 1mbh h GLU 98 N 0.68 0.59 -0.46 1.90 4.81 -1.98 0.12 114.58 120.25 1mbh h GLU 98 Ca 0.29 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1mbh h GLU 98 Cb 0.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1mbh h GLU 98 CO -0.09 0.86 0.24 0.93 -0.73 0.00 0.00 179.01 180.22 1mbh h GLU 99 N 0.32 0.65 -0.63 1.92 5.08 -1.74 -1.49 114.58 118.69 1mbh h GLU 99 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1mbh h GLU 99 Cb 0.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1mbh h GLU 99 CO 0.05 0.53 0.28 -0.44 -1.00 0.00 0.00 179.01 178.43 1mbh h ASP 100 N 0.61 0.85 -0.63 1.42 3.32 -0.90 -2.72 116.42 118.36 1mbh h ASP 100 Ca 0.16 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.13 1mbh h ASP 100 Cb 0.08 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1mbh h ASP 100 CO -0.02 0.76 0.31 -0.61 -1.72 0.00 0.00 179.24 177.96 1mbh h GLN 101 N 0.87 0.56 0.01 3.56 -0.00 -0.25 0.29 115.11 120.15 1mbh h GLN 101 Ca 0.21 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.86 1mbh h GLN 101 Cb 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.48 1mbh h GLN 101 CO -0.02 0.37 -0.20 0.00 0.00 0.00 0.00 178.83 178.98 1mbh h ARG 102 N 0.57 -0.31 -0.65 1.69 3.08 -0.99 -1.01 114.38 116.77 1mbh h ARG 102 Ca 0.29 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.41 1mbh h ARG 102 Cb 0.25 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1mbh h ARG 102 CO -0.22 -0.21 0.37 0.28 -1.07 0.00 0.00 179.97 179.13 1mbh h VAL 103 N -0.32 1.00 0.29 2.04 2.07 -1.14 0.94 116.25 121.13 1mbh h VAL 103 Ca 0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1mbh h VAL 103 Cb 0.39 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1mbh h VAL 103 CO -0.18 0.13 -0.41 0.40 0.02 0.00 0.00 177.57 177.53 1mbh h ILE 104 N 0.70 0.17 -0.55 4.57 2.04 -0.38 0.49 117.51 124.55 1mbh h ILE 104 Ca 0.28 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.10 1mbh h ILE 104 Cb 0.13 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1mbh h ILE 104 CO -0.16 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 177.84 1mbh h GLU 105 N -0.76 0.82 -0.59 2.37 3.07 -0.92 -1.44 114.58 117.12 1mbh h GLU 105 Ca -0.01 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 1mbh h GLU 105 Cb 0.72 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1mbh h GLU 105 CO -0.13 0.70 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.10 1mbh h LEU 106 N 0.80 1.01 -0.56 1.33 3.38 -0.40 0.23 115.31 121.10 1mbh h LEU 106 Ca 0.18 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1mbh h LEU 106 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1mbh h LEU 106 CO -0.01 1.07 -0.36 0.58 0.09 0.00 0.00 178.44 179.81 1mbh h VAL 107 N 0.94 1.28 -0.49 1.22 2.07 -0.57 0.92 116.25 121.62 1mbh h VAL 107 Ca 0.17 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.10 1mbh h VAL 107 Cb 0.56 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1mbh h VAL 107 CO 0.03 0.50 0.04 -0.61 0.02 0.00 0.00 177.57 177.55 1mbh h GLN 108 N 0.63 0.79 0.09 1.57 4.15 -0.93 0.11 115.11 121.53 1mbh h GLN 108 Ca 0.06 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1mbh h GLN 108 Cb 0.90 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1mbh h GLN 108 CO 0.08 0.77 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.49 1mbh h LYS 109 N 0.75 -0.11 0.23 1.69 3.64 -0.13 -3.41 116.57 119.23 1mbh h LYS 109 Ca 0.15 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1mbh h LYS 109 Cb 0.40 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1mbh h LYS 109 CO 0.01 -0.08 -0.11 1.88 -2.27 0.00 0.00 179.45 178.88 1mbh h TYR 110 N -0.23 -0.29 0.00 1.91 0.05 -0.93 -3.51 116.97 113.97 1mbh h TYR 110 Ca -0.01 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1mbh h TYR 110 Cb 0.09 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1mbh h TYR 110 CO 0.08 -0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.47 1mbh n GLY 111 N 0.93 2.22 3.68 3.88 0.00 0.37 -5.04 105.19 111.23 1mbh n GLY 111 Ca -0.05 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.82 0.47 0.00 1.61 -0.04 -1.25 -4.55 135.00 129.43 1mbh n PRO 112 Ca 0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1mbh n PRO 112 Cb 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 -2.62 0.00 -3.66 0.54 4.76 -1.26 -4.92 118.16 111.00 1mbh n LYS 113 Ca 0.14 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.33 1mbh n LYS 113 Cb 0.50 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.75 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 4.25 -7.44 0.30 1.97 1.74 -1.26 -4.86 116.66 111.35 1mbh n ARG 114 Ca 0.00 0.78 0.19 0.00 -0.77 0.00 0.00 57.85 58.05 1mbh n ARG 114 Cb 0.00 -5.80 0.92 0.00 -1.02 0.00 0.00 32.46 26.56 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 -0.04 -1.55 4.06 -1.92 -1.67 115.95 112.26 1mbh h TRP 115 Ca -0.57 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.34 1mbh h TRP 115 Cb 1.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.53 1mbh h TRP 115 CO 0.52 0.02 -0.13 0.77 -3.56 0.00 0.00 178.44 176.05 1mbh h SER 116 N 0.00 0.06 0.05 -3.49 0.02 -1.94 0.84 113.55 109.09 1mbh h SER 116 Ca -0.00 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 1mbh h SER 116 Cb 0.27 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1mbh h SER 116 CO 0.00 0.20 -1.75 0.52 -1.14 0.00 0.00 176.83 174.66 1mbh n VAL 117 N -4.35 1.62 -0.18 2.27 0.31 -0.68 -3.93 118.33 113.40 1mbh n VAL 117 Ca -0.02 -0.33 0.01 0.00 -0.01 0.00 0.00 64.34 63.99 1mbh n VAL 117 Cb 0.22 -1.87 0.27 0.00 -0.91 0.00 0.00 33.84 31.55 1mbh n VAL 117 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1mbh h ILE 118 N -0.55 1.18 -0.58 2.52 2.04 -1.38 -1.59 117.51 119.16 1mbh h ILE 118 Ca -0.43 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1mbh h ILE 118 Cb 1.64 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1mbh h ILE 118 CO -0.12 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.46 1mbh h ALA 119 N 1.55 1.35 0.00 1.87 0.00 -1.00 -0.52 119.26 122.52 1mbh h ALA 119 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mbh h ALA 119 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1mbh h ALA 119 CO -0.05 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.32 1mbh n LYS 120 N -4.34 0.10 -0.12 0.00 5.02 -0.60 -2.29 118.16 115.93 1mbh n LYS 120 Ca 0.05 0.41 -0.15 0.00 -2.02 0.00 0.00 58.31 56.60 1mbh n LYS 120 Cb 0.15 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.31 1mbh n LYS 120 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1mbh n HIS 121 N -1.91 0.00 -2.14 2.13 8.25 -0.44 -4.58 115.22 116.53 1mbh n HIS 121 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1mbh n HIS 121 Cb 0.15 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.28 1mbh n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbh n LEU 122 N -3.05 6.43 -4.66 2.41 7.99 -0.33 -4.97 117.00 120.82 1mbh n LEU 122 Ca -0.40 -4.31 -0.46 0.00 -0.01 0.00 0.00 56.01 50.83 1mbh n LEU 122 Cb 1.05 -1.61 -0.03 0.00 -0.11 0.00 0.00 43.42 42.72 1mbh n LEU 122 CO 0.32 1.06 1.01 0.29 -1.51 0.00 0.00 177.39 178.56 1mbh n LYS 123 N 5.57 1.91 0.00 3.23 4.76 -1.25 -1.72 118.16 130.66 1mbh n LYS 123 Ca 0.46 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.58 1mbh n LYS 123 Cb 0.39 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mbh n GLY 124 N 2.40 3.09 3.96 0.72 0.00 -1.26 -4.88 105.19 109.23 1mbh n GLY 124 Ca 0.13 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 1.49 0.34 1.61 1.81 -0.70 0.19 118.95 123.68 1mbh s ARG 125 Ca 0.00 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.27 1mbh s ARG 125 Cb 0.00 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.29 1mbh s ARG 125 CO 0.00 -1.67 0.13 0.96 -0.68 0.00 0.00 175.30 174.04 1mbh s ILE 126 N -3.36 0.56 0.19 1.52 -4.36 -1.26 -4.90 121.20 109.59 1mbh s ILE 126 Ca 0.67 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 1mbh s ILE 126 Cb -0.06 -2.51 0.12 0.00 1.25 0.00 0.00 42.46 41.25 1mbh s ILE 126 CO 0.47 0.00 1.71 1.23 0.24 0.00 0.00 174.94 178.59 1mbh h GLY 127 N 2.07 0.60 0.79 6.27 0.00 -1.92 -1.69 103.07 109.19 1mbh h GLY 127 Ca -0.35 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1mbh h GLY 127 CO 0.57 -0.09 0.25 1.70 0.00 0.00 0.00 176.54 178.97 1mbh h LYS 128 N 0.21 0.49 0.64 4.80 3.64 -1.97 0.25 116.57 124.63 1mbh h LYS 128 Ca 0.25 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1mbh h LYS 128 Cb 0.35 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1mbh h LYS 128 CO -0.35 0.32 -0.31 1.96 -2.27 0.00 0.00 179.45 178.81 1mbh h GLN 129 N 0.50 -0.82 -0.33 1.90 1.08 -1.80 0.47 115.11 116.11 1mbh h GLN 129 Ca 0.20 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.51 1mbh h GLN 129 Cb 0.09 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 1mbh h GLN 129 CO -0.13 -0.54 0.03 0.00 -0.95 0.00 0.00 178.83 177.24 1mbh h ARG 131 N 0.13 -0.07 -0.01 0.00 1.12 -0.84 -0.94 114.38 113.77 1mbh h ARG 131 Ca 0.16 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.06 1mbh h ARG 131 Cb 0.19 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 1mbh h ARG 131 CO -0.23 -0.05 -0.15 1.49 -3.11 0.00 0.00 179.97 177.92 1mbh h GLU 132 N -0.07 -0.24 -0.85 0.20 4.81 -0.44 -1.08 114.58 116.91 1mbh h GLU 132 Ca 0.06 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1mbh h GLU 132 Cb 0.16 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.50 1mbh h GLU 132 CO -0.14 -0.16 0.45 -0.09 -0.73 0.00 0.00 179.01 178.34 1mbh h ARG 133 N -0.25 0.64 -0.18 1.92 9.65 -0.94 0.87 114.38 126.10 1mbh h ARG 133 Ca 0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1mbh h ARG 133 Cb 0.32 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1mbh h ARG 133 CO -0.15 0.43 0.00 1.87 2.80 0.00 0.00 179.97 184.91 1mbh n TRP 134 N -4.84 0.02 -2.05 2.20 -0.00 -0.38 -3.40 117.44 109.00 1mbh n TRP 134 Ca 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1mbh n TRP 134 Cb 0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.70 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 -0.38 0.00 0.00 5.87 8.25 0.25 -4.40 115.22 124.81 1mbh n HIS 135 Ca 0.01 -0.06 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1mbh n HIS 135 Cb 0.06 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 0.05 0.00 0.00 0.41 3.02 -0.89 -5.00 115.26 112.85 1mbh n ASN 136 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1mbh n ASN 136 Cb 0.72 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 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 -2.50 0.00 -4.30 3.10 8.25 -1.25 -4.96 115.22 113.57 1mbh n HIS 137 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1mbh n HIS 137 Cb 0.00 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 30.77 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1mbh s LEU 138 N -2.58 3.39 -0.45 2.41 2.34 -1.26 -5.06 118.68 117.48 1mbh s LEU 138 Ca 0.00 -0.09 0.04 0.00 0.06 0.00 0.00 54.13 54.14 1mbh s LEU 138 Cb 0.00 -1.99 0.25 0.00 -0.56 0.00 0.00 46.19 43.89 1mbh s LEU 138 CO 0.00 0.26 0.99 -3.20 -1.06 0.00 0.00 176.35 173.34 1mbh n ASN 139 N 1.24 -2.47 0.00 1.48 2.85 -1.26 -3.93 115.26 113.17 1mbh n ASN 139 Ca -0.14 -2.93 -0.00 0.00 -0.11 0.00 0.00 54.58 51.40 1mbh n ASN 139 Cb 0.52 1.55 -0.00 0.00 1.24 0.00 0.00 39.78 43.10 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 3.73 -0.01 0.00 1.20 0.13 -1.97 -3.51 132.00 131.58 1mbh h PRO 140 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1mbh h PRO 140 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1mbh h PRO 140 CO 0.19 -0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.35