#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 -3.29 -3.49 -0.08 2.08 -1.26 -4.96 119.36 108.37 1mbh n ILE 91 Ca 0.00 1.27 0.00 0.00 0.56 0.00 0.00 62.75 64.58 1mbh n ILE 91 Cb 0.00 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 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 -0.29 0.00 0.00 0.38 0.00 -1.26 -5.03 118.16 111.96 1mbh n LYS 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1mbh n LYS 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1mbh n GLY 93 N 0.00 0.08 3.56 3.14 0.00 -1.26 -5.03 105.19 105.68 1mbh n GLY 93 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 2.31 0.01 1.61 0.04 -1.26 -4.88 135.00 130.83 1mbh s PRO 94 Ca 0.00 -0.07 -0.38 0.00 0.04 0.00 0.00 61.00 60.59 1mbh s PRO 94 Cb 0.00 -4.98 -0.17 0.00 0.04 0.00 0.00 34.50 29.39 1mbh s PRO 94 CO 0.00 -3.64 1.39 0.91 0.04 0.00 0.00 177.00 175.71 1mbh n TRP 95 N 15.14 1.54 -3.50 0.56 7.02 -1.26 -4.93 117.44 132.00 1mbh n TRP 95 Ca 0.41 0.66 -0.28 0.00 -1.02 0.00 0.00 57.50 57.27 1mbh n TRP 95 Cb 0.46 -2.33 -0.03 0.00 -2.42 0.00 0.00 31.31 26.99 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 0.99 5.10 0.32 -0.99 -4.23 -1.26 -4.96 115.64 110.61 1mbh s THR 96 Ca 0.88 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 1mbh s THR 96 Cb -1.00 -3.73 0.30 0.00 1.34 0.00 0.00 72.50 69.41 1mbh s THR 96 CO 0.51 -0.24 1.86 0.50 -0.54 0.00 0.00 174.62 176.71 1mbh h LYS 97 N 1.86 0.85 -0.05 3.99 3.64 -1.99 -0.52 116.57 124.36 1mbh h LYS 97 Ca -0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1mbh h LYS 97 Cb 1.19 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 97 CO 0.67 0.56 -0.02 1.49 -2.27 0.00 0.00 179.45 179.89 1mbh h GLU 98 N 0.88 0.10 -0.60 1.90 4.81 -1.98 0.56 114.58 120.24 1mbh h GLU 98 Ca 0.46 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 1mbh h GLU 98 Cb 0.54 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1mbh h GLU 98 CO -0.22 0.46 0.19 1.49 -0.73 0.00 0.00 179.01 180.20 1mbh h GLU 99 N -0.27 0.33 -0.31 1.92 4.57 -1.73 0.28 114.58 119.37 1mbh h GLU 99 Ca 0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1mbh h GLU 99 Cb 0.43 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1mbh h GLU 99 CO 0.01 0.22 0.10 -0.44 -1.18 0.00 0.00 179.01 177.72 1mbh h ASP 100 N 0.34 0.46 -0.77 1.04 3.32 -1.04 -2.75 116.42 117.02 1mbh h ASP 100 Ca 0.31 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1mbh h ASP 100 Cb 0.42 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 1mbh h ASP 100 CO -0.35 0.54 0.40 -0.61 -1.72 0.00 0.00 179.24 177.51 1mbh h GLN 101 N 0.35 0.65 0.43 3.56 5.75 0.42 0.63 115.11 126.90 1mbh h GLN 101 Ca 0.10 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1mbh h GLN 101 Cb 0.24 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1mbh h GLN 101 CO -0.00 0.43 -0.38 0.00 -2.65 0.00 0.00 178.83 176.23 1mbh h ARG 102 N 0.67 -0.78 -0.13 1.69 3.08 -0.78 -1.46 114.38 116.66 1mbh h ARG 102 Ca 0.38 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.52 1mbh h ARG 102 Cb 0.40 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1mbh h ARG 102 CO -0.27 -0.52 -0.06 0.28 -1.07 0.00 0.00 179.97 178.33 1mbh h VAL 103 N -0.81 0.81 -0.25 2.04 2.07 -1.13 -0.19 116.25 118.79 1mbh h VAL 103 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1mbh h VAL 103 Cb 0.71 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1mbh h VAL 103 CO -0.03 0.00 -0.29 0.40 0.02 0.00 0.00 177.57 177.66 1mbh h ILE 104 N -0.04 0.31 -0.10 4.57 2.04 -0.75 0.27 117.51 123.80 1mbh h ILE 104 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1mbh h ILE 104 Cb 0.15 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1mbh h ILE 104 CO -0.16 0.00 0.05 -0.08 0.00 0.00 0.00 178.15 177.96 1mbh h GLU 105 N -0.30 0.14 -0.13 2.37 4.22 -1.01 -1.48 114.58 118.39 1mbh h GLU 105 Ca 0.13 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.52 1mbh h GLU 105 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1mbh h GLU 105 CO -0.42 0.18 -0.10 -0.07 -2.18 0.00 0.00 179.01 176.43 1mbh h LEU 106 N 0.06 0.18 -0.03 1.64 3.38 -0.51 -0.02 115.31 120.02 1mbh h LEU 106 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1mbh h LEU 106 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1mbh h LEU 106 CO -0.01 0.31 -0.28 0.58 0.09 0.00 0.00 178.44 179.13 1mbh h VAL 107 N 0.19 1.48 -0.74 1.22 2.07 -0.27 0.12 116.25 120.32 1mbh h VAL 107 Ca 0.04 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1mbh h VAL 107 Cb 0.30 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 1mbh h VAL 107 CO 0.02 0.51 0.49 -0.61 0.02 0.00 0.00 177.57 177.99 1mbh h GLN 108 N -0.34 0.80 0.27 1.57 4.15 -0.99 -0.21 115.11 120.35 1mbh h GLN 108 Ca -0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1mbh h GLN 108 Cb 0.98 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1mbh h GLN 108 CO 0.06 0.53 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.14 1mbh h LYS 109 N 0.83 -0.34 0.00 1.69 3.64 -0.95 -3.43 116.57 118.00 1mbh h LYS 109 Ca 0.31 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1mbh h LYS 109 Cb 0.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mbh h LYS 109 CO -0.10 -0.23 0.00 0.66 -2.27 0.00 0.00 179.45 177.51 1mbh n TYR 110 N -4.42 0.00 0.00 1.91 4.01 0.40 -5.09 117.16 113.97 1mbh n TYR 110 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1mbh n TYR 110 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 2.56 2.30 3.72 2.72 0.00 -0.10 -5.00 105.19 111.39 1mbh n GLY 111 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 1.41 -1.53 1.61 0.04 -1.26 -3.72 135.00 129.63 1mbh s PRO 112 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1mbh s PRO 112 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1mbh s PRO 112 CO 0.00 -2.17 0.00 1.63 0.04 0.00 0.00 177.00 176.50 1mbh n LYS 113 N -3.85 -1.33 -1.69 4.56 5.02 -1.26 -4.87 118.16 114.73 1mbh n LYS 113 Ca 0.08 0.88 -0.05 0.00 -2.02 0.00 0.00 58.31 57.20 1mbh n LYS 113 Cb 0.54 -5.29 0.08 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.62 1.90 0.28 1.97 1.74 -1.24 -4.83 116.66 113.86 1mbh n ARG 114 Ca -0.20 -3.34 0.16 0.00 -0.77 0.00 0.00 57.85 53.70 1mbh n ARG 114 Cb 0.64 -1.49 0.84 0.00 -1.02 0.00 0.00 32.46 31.43 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 0.00 -1.55 4.06 -1.89 -0.78 115.95 117.49 1mbh h TRP 115 Ca 0.03 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 1mbh h TRP 115 Cb 1.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 1mbh h TRP 115 CO 0.61 0.07 -0.21 0.66 -3.56 0.00 0.00 178.44 176.01 1mbh h SER 116 N 0.00 0.00 0.03 -3.49 4.64 -1.94 -0.19 113.55 112.60 1mbh h SER 116 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1mbh h SER 116 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 1mbh h SER 116 CO 0.01 0.21 -2.08 0.52 -0.87 0.00 0.00 176.83 174.62 1mbh n VAL 117 N -3.85 1.58 -0.33 0.95 0.31 -0.47 -4.11 118.33 112.41 1mbh n VAL 117 Ca -0.02 -0.39 0.04 0.00 -0.01 0.00 0.00 64.34 63.97 1mbh n VAL 117 Cb 0.31 -1.79 0.23 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.56 1.04 -0.18 2.52 2.04 -1.18 -0.50 117.51 120.69 1mbh h ILE 118 Ca -0.53 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1mbh h ILE 118 Cb 1.68 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1mbh h ILE 118 CO -0.19 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.25 1mbh h ALA 119 N 1.50 1.82 -0.46 1.87 0.00 -1.22 0.05 119.26 122.83 1mbh h ALA 119 Ca 0.42 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1mbh h ALA 119 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1mbh h ALA 119 CO -0.17 0.15 0.30 0.87 0.00 0.00 0.00 179.25 180.40 1mbh h LYS 120 N 0.25 0.51 0.03 0.00 1.79 -1.23 -2.65 116.57 115.26 1mbh h LYS 120 Ca 0.07 -0.03 -0.33 0.00 -2.18 0.00 0.00 60.65 58.17 1mbh h LYS 120 Cb 0.02 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.51 1mbh h LYS 120 CO -0.01 0.33 -1.97 0.72 -1.08 0.00 0.00 179.45 177.44 1mbh n HIS 121 N -4.48 0.79 -1.59 -1.35 8.25 -0.68 -4.41 115.22 111.76 1mbh n HIS 121 Ca 0.05 0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.34 1mbh n HIS 121 Cb 0.14 -1.13 -0.01 0.00 1.12 0.00 0.00 29.99 30.11 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 -3.11 7.51 -4.75 2.41 7.99 -0.08 -4.95 117.00 122.01 1mbh n LEU 122 Ca -0.26 -4.21 -0.42 0.00 -0.01 0.00 0.00 56.01 51.11 1mbh n LEU 122 Cb 1.07 -1.62 -0.01 0.00 -0.11 0.00 0.00 43.42 42.74 1mbh n LEU 122 CO 0.42 1.43 1.16 0.29 -1.51 0.00 0.00 177.39 179.19 1mbh n LYS 123 N 5.25 2.62 0.00 3.23 5.02 -1.25 -1.84 118.16 131.19 1mbh n LYS 123 Ca 0.61 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.83 1mbh n LYS 123 Cb 0.34 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 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 1.26 3.11 4.00 0.72 0.00 -1.26 -5.02 105.19 108.01 1mbh n GLY 124 Ca 0.05 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 2.03 0.28 1.61 0.52 -0.76 -5.09 118.95 117.54 1mbh s ARG 125 Ca 0.00 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 53.98 1mbh s ARG 125 Cb 0.00 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1mbh s ARG 125 CO 0.00 -1.12 0.16 0.96 0.02 0.00 0.00 175.30 175.32 1mbh s ILE 126 N -2.91 0.24 0.30 1.52 -4.36 -1.26 -4.92 121.20 109.81 1mbh s ILE 126 Ca 0.63 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1mbh s ILE 126 Cb -0.06 -2.52 0.30 0.00 1.25 0.00 0.00 42.46 41.43 1mbh s ILE 126 CO 0.41 0.00 1.81 1.23 0.24 0.00 0.00 174.94 178.63 1mbh h GLY 127 N 2.30 1.65 0.98 6.27 0.00 -1.93 -0.26 103.07 112.08 1mbh h GLY 127 Ca -0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1mbh h GLY 127 CO 0.51 0.04 -0.25 1.70 0.00 0.00 0.00 176.54 178.54 1mbh h LYS 128 N 0.84 -0.65 -0.35 4.80 1.63 -1.96 0.71 116.57 121.58 1mbh h LYS 128 Ca 0.53 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.36 1mbh h LYS 128 Cb 0.74 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1mbh h LYS 128 CO -0.31 -0.43 0.14 1.96 -3.45 0.00 0.00 179.45 177.35 1mbh h GLN 129 N -0.67 0.53 -0.14 1.90 4.20 -1.82 -0.05 115.11 119.05 1mbh h GLN 129 Ca -0.06 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1mbh h GLN 129 Cb 0.52 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1mbh h GLN 129 CO 0.10 0.52 0.01 0.00 -0.67 0.00 0.00 178.83 178.78 1mbh h ARG 131 N 0.05 0.25 0.25 0.00 2.43 -0.70 -2.83 114.38 113.83 1mbh h ARG 131 Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1mbh h ARG 131 Cb 0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1mbh h ARG 131 CO -0.10 0.16 -0.32 1.49 -1.51 0.00 0.00 179.97 179.69 1mbh h GLU 132 N 0.26 -0.57 -0.95 0.20 4.81 -0.56 0.18 114.58 117.94 1mbh h GLU 132 Ca 0.11 0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.66 1mbh h GLU 132 Cb 0.04 0.13 -0.17 0.00 0.63 0.00 0.00 28.75 29.38 1mbh h GLU 132 CO -0.09 -0.38 0.18 -0.09 -0.73 0.00 0.00 179.01 177.90 1mbh h ARG 133 N -0.59 0.07 0.27 1.92 9.65 -1.14 -1.95 114.38 122.61 1mbh h ARG 133 Ca -0.03 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1mbh h ARG 133 Cb 0.53 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1mbh h ARG 133 CO -0.07 0.04 -0.13 2.35 2.80 0.00 0.00 179.97 184.96 1mbh h TRP 134 N 0.07 -0.34 0.00 2.20 2.91 -1.20 -3.12 115.95 116.46 1mbh h TRP 134 Ca 0.62 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.64 1mbh h TRP 134 Cb 1.36 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 30.12 1mbh h TRP 134 CO -0.34 -0.13 0.00 0.72 -1.03 0.00 0.00 178.44 177.66 1mbh n HIS 135 N -5.02 0.00 0.05 2.65 8.25 0.61 -2.74 115.22 119.02 1mbh n HIS 135 Ca -0.06 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1mbh n HIS 135 Cb 0.18 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 0.94 0.06 -2.69 0.41 3.02 -0.80 -4.94 115.26 111.26 1mbh n ASN 136 Ca 0.00 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.64 1mbh n ASN 136 Cb 0.46 0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.75 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 -2.89 0.95 -2.89 3.10 1.44 -1.18 -4.99 115.22 108.75 1mbh n HIS 137 Ca 0.00 -2.62 0.02 0.00 -2.01 0.00 0.00 57.72 53.11 1mbh n HIS 137 Cb 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 29.88 1mbh n HIS 137 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1mbh s LEU 138 N -3.26 -0.67 -0.42 2.39 2.96 -1.11 -4.96 118.68 113.62 1mbh s LEU 138 Ca 0.27 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1mbh s LEU 138 Cb 0.43 0.86 0.25 0.00 0.50 0.00 0.00 46.19 48.23 1mbh s LEU 138 CO 0.02 -0.07 0.63 -3.20 -1.32 0.00 0.00 176.35 172.40 1mbh n ASN 139 N 3.91 -0.72 0.29 3.68 2.85 -1.26 -4.39 115.26 119.62 1mbh n ASN 139 Ca 0.07 -2.87 0.15 0.00 -0.11 0.00 0.00 54.58 51.82 1mbh n ASN 139 Cb 0.61 0.08 0.88 0.00 1.24 0.00 0.00 39.78 42.60 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 3.99 0.00 0.00 1.20 0.13 -1.98 -3.53 132.00 131.81 1mbh h PRO 140 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1mbh h PRO 140 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1mbh h PRO 140 CO 0.42 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.63