#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 -4.12 -2.14 -0.08 2.08 -1.26 -4.59 119.36 109.25 1mbh n ILE 91 Ca 0.00 1.74 -0.11 0.00 0.56 0.00 0.00 62.75 64.94 1mbh n ILE 91 Cb 0.00 -2.54 -0.02 0.00 -0.75 0.00 0.00 39.64 36.33 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 -0.14 -2.04 -0.37 0.38 4.81 -1.26 -4.55 118.16 115.00 1mbh n LYS 92 Ca 0.00 0.54 0.05 0.00 -0.87 0.00 0.00 58.31 58.03 1mbh n LYS 92 Cb 0.00 -5.02 -0.01 0.00 0.02 0.00 0.00 35.03 30.01 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 -0.61 -1.85 2.24 3.14 0.00 -1.26 -4.05 105.19 102.80 1mbh n GLY 93 Ca -0.12 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.80 2.33 -1.36 1.61 -0.04 -1.26 -4.88 135.00 129.61 1mbh n PRO 94 Ca 0.00 -1.34 0.17 0.00 -0.04 0.00 0.00 63.50 62.29 1mbh n PRO 94 Cb 0.17 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.16 -3.55 -4.16 0.54 7.02 -1.26 -5.03 117.44 114.17 1mbh n TRP 95 Ca 0.50 1.87 -0.10 0.00 -1.02 0.00 0.00 57.50 58.75 1mbh n TRP 95 Cb 0.50 -3.23 -0.10 0.00 -2.42 0.00 0.00 31.31 26.06 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 -3.31 0.38 0.29 -0.99 -4.23 -1.26 -5.03 115.64 101.50 1mbh s THR 96 Ca 0.00 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1mbh s THR 96 Cb 0.00 -1.83 0.27 0.00 1.34 0.00 0.00 72.50 72.28 1mbh s THR 96 CO 0.00 -0.71 1.95 0.50 -0.54 0.00 0.00 174.62 175.81 1mbh h LYS 97 N 2.94 1.09 -0.01 3.99 3.64 -1.99 0.00 116.57 126.23 1mbh h LYS 97 Ca -0.35 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1mbh h LYS 97 Cb 1.18 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1mbh h LYS 97 CO 0.63 0.72 -0.00 1.49 -2.27 0.00 0.00 179.45 180.02 1mbh h GLU 98 N 1.12 0.01 -0.70 1.90 4.81 -1.98 -0.03 114.58 119.71 1mbh h GLU 98 Ca 0.34 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1mbh h GLU 98 Cb -0.03 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1mbh h GLU 98 CO -0.09 0.33 0.41 1.49 -0.73 0.00 0.00 179.01 180.42 1mbh h GLU 99 N -0.32 0.74 -0.34 1.92 4.81 -1.86 -0.02 114.58 119.52 1mbh h GLU 99 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1mbh h GLU 99 Cb 0.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1mbh h GLU 99 CO 0.00 0.49 0.18 -0.44 -0.73 0.00 0.00 179.01 178.51 1mbh h ASP 100 N 0.76 0.43 -0.94 1.04 3.32 -0.93 -2.51 116.42 117.60 1mbh h ASP 100 Ca 0.30 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.35 1mbh h ASP 100 Cb 0.15 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 1mbh h ASP 100 CO -0.16 0.41 0.58 -0.61 -1.72 0.00 0.00 179.24 177.73 1mbh h GLN 101 N 0.42 0.95 -0.36 3.56 5.75 0.08 -0.17 115.11 125.33 1mbh h GLN 101 Ca 0.12 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1mbh h GLN 101 Cb 0.08 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1mbh h GLN 101 CO -0.02 0.63 0.23 0.00 -2.65 0.00 0.00 178.83 177.02 1mbh h ARG 102 N 0.98 0.49 -0.63 1.69 3.08 -0.67 -1.29 114.38 118.03 1mbh h ARG 102 Ca 0.44 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1mbh h ARG 102 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1mbh h ARG 102 CO -0.23 0.35 0.33 0.28 -1.07 0.00 0.00 179.97 179.64 1mbh h VAL 103 N 0.48 1.21 -0.04 2.04 2.07 -0.87 -0.27 116.25 120.87 1mbh h VAL 103 Ca 0.13 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1mbh h VAL 103 Cb -0.02 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1mbh h VAL 103 CO -0.03 0.23 -0.18 0.40 0.02 0.00 0.00 177.57 178.02 1mbh h ILE 104 N 0.86 0.57 -0.32 4.57 2.04 -0.67 0.51 117.51 125.07 1mbh h ILE 104 Ca 0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 1mbh h ILE 104 Cb 0.07 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1mbh h ILE 104 CO -0.03 0.00 0.19 -0.08 0.00 0.00 0.00 178.15 178.23 1mbh h GLU 105 N -0.27 0.38 -0.07 2.37 4.57 -0.98 -1.03 114.58 119.55 1mbh h GLU 105 Ca 0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1mbh h GLU 105 Cb 0.36 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1mbh h GLU 105 CO -0.19 0.25 0.03 -0.07 -1.18 0.00 0.00 179.01 177.84 1mbh h LEU 106 N 0.39 0.04 -1.53 1.64 3.38 -0.64 -1.85 115.31 116.74 1mbh h LEU 106 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1mbh h LEU 106 Cb -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1mbh h LEU 106 CO -0.05 0.03 -0.20 0.58 0.09 0.00 0.00 178.44 178.90 1mbh h VAL 107 N 0.07 1.16 0.00 1.22 2.07 -0.77 0.10 116.25 120.10 1mbh h VAL 107 Ca 0.03 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1mbh h VAL 107 Cb 0.01 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1mbh h VAL 107 CO -0.02 0.22 -0.22 -0.61 0.02 0.00 0.00 177.57 176.95 1mbh h GLN 108 N 0.05 0.00 0.00 1.57 4.15 -0.53 0.24 115.11 120.60 1mbh h GLN 108 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1mbh h GLN 108 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1mbh h GLN 108 CO 0.03 0.22 -0.43 0.87 -1.93 0.00 0.00 178.83 177.59 1mbh h LYS 109 N 0.00 0.00 0.00 1.69 6.56 -0.40 -3.41 116.57 121.01 1mbh h LYS 109 Ca -0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 1mbh h LYS 109 Cb 0.61 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 1mbh h LYS 109 CO 0.03 0.00 -0.76 1.88 -2.06 0.00 0.00 179.45 178.54 1mbh h TYR 110 N -0.87 0.00 0.00 -1.35 0.05 -0.96 -3.51 116.97 110.33 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 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1mbh h TYR 110 CO -0.19 0.65 0.00 0.41 -1.05 0.00 0.00 178.16 177.98 1mbh n GLY 111 N 1.28 0.37 3.50 3.88 0.00 0.86 -5.00 105.19 110.08 1mbh n GLY 111 Ca -0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mbh n PRO 112 N 0.23 -0.19 0.00 1.61 -0.02 -1.26 -4.65 135.00 130.72 1mbh n PRO 112 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1mbh n PRO 112 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mbh n LYS 113 N -2.21 0.00 -3.70 -0.52 4.76 -1.26 -4.90 118.16 110.33 1mbh n LYS 113 Ca 0.09 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 1mbh n LYS 113 Cb 0.52 0.00 0.04 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 1.89 -6.16 0.25 1.97 1.74 -1.26 -4.86 116.66 110.23 1mbh n ARG 114 Ca 0.00 0.69 0.11 0.00 -0.77 0.00 0.00 57.85 57.89 1mbh n ARG 114 Cb 0.00 -5.63 0.66 0.00 -1.02 0.00 0.00 32.46 26.47 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 -2.17 0.00 -0.39 -1.55 4.06 -1.94 -1.13 115.95 112.83 1mbh h TRP 115 Ca -0.56 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.36 1mbh h TRP 115 Cb 1.37 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 1mbh h TRP 115 CO 0.55 0.15 0.13 0.77 -3.56 0.00 0.00 178.44 176.48 1mbh h SER 116 N 0.00 0.51 0.04 -3.49 0.02 -1.95 0.80 113.55 109.48 1mbh h SER 116 Ca -0.00 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.74 1mbh h SER 116 Cb 0.39 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1mbh h SER 116 CO 0.02 0.49 -0.80 0.58 -1.14 0.00 0.00 176.83 175.98 1mbh h VAL 117 N 0.56 1.32 -0.81 2.27 2.07 -1.68 -3.29 116.25 116.69 1mbh h VAL 117 Ca 0.13 -2.32 0.06 0.00 0.82 0.00 0.00 66.70 65.39 1mbh h VAL 117 Cb 0.16 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1mbh h VAL 117 CO -0.01 0.55 0.49 0.40 0.02 0.00 0.00 177.57 179.01 1mbh h ILE 118 N -0.78 1.01 -0.96 4.57 2.04 -1.17 -1.88 117.51 120.34 1mbh h ILE 118 Ca -0.19 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1mbh h ILE 118 Cb 1.33 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1mbh h ILE 118 CO -0.04 0.16 0.63 0.00 0.00 0.00 0.00 178.15 178.90 1mbh h ALA 119 N 1.39 1.36 0.00 1.87 0.00 -0.99 0.15 119.26 123.05 1mbh h ALA 119 Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1mbh h ALA 119 Cb 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mbh h ALA 119 CO -0.18 0.56 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1mbh h LYS 120 N 1.24 0.00 0.03 0.00 1.57 -1.41 -2.67 116.57 115.33 1mbh h LYS 120 Ca 0.37 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.76 1mbh h LYS 120 Cb -0.04 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 1mbh h LYS 120 CO -0.10 0.00 -2.31 0.72 -0.57 0.00 0.00 179.45 177.19 1mbh n HIS 121 N -2.97 0.34 -1.74 -1.35 8.25 -0.36 -4.48 115.22 112.89 1mbh n HIS 121 Ca -0.02 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 1mbh n HIS 121 Cb 0.14 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.20 1mbh n HIS 121 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1mbh n LEU 122 N -3.57 7.36 -4.60 2.41 -0.00 0.39 -4.94 117.00 114.05 1mbh n LEU 122 Ca -0.44 -4.32 -0.44 0.00 -0.00 0.00 0.00 56.01 50.81 1mbh n LEU 122 Cb 0.96 -1.59 -0.04 0.00 -0.00 0.00 0.00 43.42 42.76 1mbh n LEU 122 CO 0.25 1.44 1.77 0.29 -0.00 0.00 0.00 177.39 181.13 1mbh n LYS 123 N 4.89 2.03 0.00 1.96 5.02 -1.22 -1.25 118.16 129.58 1mbh n LYS 123 Ca 0.57 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 1mbh n LYS 123 Cb 0.34 -3.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.31 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 5.53 1.08 3.22 0.72 0.00 -1.26 -5.08 105.19 109.40 1mbh n GLY 124 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 2.65 0.83 1.61 1.81 -0.38 -5.00 118.95 120.47 1mbh s ARG 125 Ca 0.00 -1.12 -0.14 0.00 -1.72 0.00 0.00 55.73 52.75 1mbh s ARG 125 Cb 0.00 -3.19 0.20 0.00 -0.45 0.00 0.00 34.95 31.51 1mbh s ARG 125 CO 0.00 -0.54 0.84 0.44 -0.68 0.00 0.00 175.30 175.36 1mbh n ILE 126 N 4.70 0.00 -1.23 1.52 -5.35 -1.26 -4.54 119.36 113.19 1mbh n ILE 126 Ca -0.14 -0.46 -0.36 0.00 -0.27 0.00 0.00 62.75 61.51 1mbh n ILE 126 Cb 0.45 -1.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.01 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mbh n GLY 127 N -2.30 3.62 2.16 3.28 0.00 -1.26 -3.34 105.19 107.34 1mbh n GLY 127 Ca 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 5.18 0.00 -0.13 1.61 4.81 -1.26 -4.86 118.16 123.51 1mbh n LYS 128 Ca 0.56 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.94 1mbh n LYS 128 Cb 0.29 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.35 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 0.45 -0.06 1.64 1.08 -1.90 0.20 115.11 116.51 1mbh h GLN 129 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1mbh h GLN 129 Cb 0.00 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1mbh h GLN 129 CO 0.00 0.29 0.04 0.00 -0.95 0.00 0.00 178.83 178.21 1mbh h ARG 131 N 0.05 0.47 0.44 0.00 1.12 -1.75 -1.42 114.38 113.30 1mbh h ARG 131 Ca 0.02 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1mbh h ARG 131 Cb 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1mbh h ARG 131 CO -0.00 0.31 -0.21 0.93 -3.11 0.00 0.00 179.97 177.88 1mbh h GLU 132 N 0.49 -0.57 -0.99 0.20 5.08 -0.69 -0.05 114.58 118.03 1mbh h GLU 132 Ca 0.31 0.04 0.36 0.00 -1.00 0.00 0.00 59.36 59.07 1mbh h GLU 132 Cb 0.35 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 29.55 1mbh h GLU 132 CO -0.28 -0.38 0.34 -0.09 -1.00 0.00 0.00 179.01 177.60 1mbh h ARG 133 N -0.96 0.02 0.12 2.33 9.65 -0.64 -2.02 114.38 122.87 1mbh h ARG 133 Ca -0.06 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1mbh h ARG 133 Cb 0.46 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1mbh h ARG 133 CO 0.10 0.01 -0.06 2.35 2.80 0.00 0.00 179.97 185.18 1mbh h TRP 134 N 0.02 -0.15 -0.08 2.20 2.91 -1.27 -3.16 115.95 116.43 1mbh h TRP 134 Ca 0.74 -0.00 -0.20 0.00 1.13 0.00 0.00 58.89 60.56 1mbh h TRP 134 Cb 1.82 0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 30.44 1mbh h TRP 134 CO -0.20 -0.09 -0.30 0.72 -1.03 0.00 0.00 178.44 177.53 1mbh n HIS 135 N -3.83 0.12 0.16 2.65 8.25 -0.03 -3.50 115.22 119.04 1mbh n HIS 135 Ca -0.02 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.94 1mbh n HIS 135 Cb 0.06 -1.50 0.00 0.00 1.12 0.00 0.00 29.99 29.67 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 2.30 -1.88 0.00 0.41 3.02 -0.94 -4.88 115.26 113.30 1mbh n ASN 136 Ca 0.40 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 1mbh n ASN 136 Cb 0.86 1.88 0.00 0.00 -0.61 0.00 0.00 39.78 41.92 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 -3.33 0.00 -1.68 3.10 8.25 -1.19 -4.96 115.22 115.42 1mbh n HIS 137 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1mbh n HIS 137 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 3.32 -2.93 2.41 -0.00 -1.26 -4.94 117.00 113.60 1mbh n LEU 138 Ca 0.00 1.07 -0.14 0.00 -0.00 0.00 0.00 56.01 56.94 1mbh n LEU 138 Cb 0.00 -1.45 -0.00 0.00 -0.00 0.00 0.00 43.42 41.97 1mbh n LEU 138 CO 0.00 -0.17 0.01 -3.20 -0.00 0.00 0.00 177.39 174.03 1mbh n ASN 139 N 3.88 -1.87 0.07 1.45 5.15 -1.26 -4.62 115.26 118.06 1mbh n ASN 139 Ca 0.17 -3.02 -0.03 0.00 -0.60 0.00 0.00 54.58 51.10 1mbh n ASN 139 Cb 0.30 0.92 -0.01 0.00 -0.53 0.00 0.00 39.78 40.46 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mbh h PRO 140 N 4.20 -0.18 0.00 1.20 0.13 -1.94 -3.52 132.00 131.88 1mbh h PRO 140 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1mbh h PRO 140 Cb 0.98 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1mbh h PRO 140 CO 0.34 -0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.38