#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 0.58 -1.50 -0.08 2.08 -1.26 -0.98 119.36 118.20 1mbh n ILE 91 Ca 0.00 -0.10 -0.11 0.00 0.56 0.00 0.00 62.75 63.09 1mbh n ILE 91 Cb 0.00 -2.12 -0.04 0.00 -0.75 0.00 0.00 39.64 36.73 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 6.61 -1.41 0.00 0.38 3.00 -1.26 -4.51 118.16 120.97 1mbh n LYS 92 Ca 0.20 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 1mbh n LYS 92 Cb 0.36 -4.92 0.00 0.00 0.00 0.00 0.00 35.03 30.47 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 -0.30 2.10 1.35 3.14 0.00 -0.15 -4.64 105.19 106.70 1mbh n GLY 93 Ca -0.12 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 4.04 -2.85 -2.14 1.61 -0.04 -1.26 -4.83 135.00 129.53 1mbh n PRO 94 Ca 0.00 -0.63 -0.27 0.00 -0.04 0.00 0.00 63.50 62.55 1mbh n PRO 94 Cb 0.00 -0.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mbh s TRP 95 N -1.55 3.06 0.17 0.54 0.52 -1.26 -4.98 118.94 115.43 1mbh s TRP 95 Ca 0.28 0.64 0.07 0.00 0.02 0.00 0.00 56.10 57.11 1mbh s TRP 95 Cb -0.04 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 1mbh s TRP 95 CO 0.23 -1.31 -0.15 0.95 0.02 0.00 0.00 176.95 176.69 1mbh s THR 96 N -3.27 1.59 0.27 2.01 -4.23 -1.26 -5.04 115.64 105.72 1mbh s THR 96 Ca 0.59 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1mbh s THR 96 Cb -0.11 -1.84 0.27 0.00 1.34 0.00 0.00 72.50 72.16 1mbh s THR 96 CO 0.47 -0.50 1.90 0.50 -0.54 0.00 0.00 174.62 176.45 1mbh h LYS 97 N 2.99 1.14 -0.01 3.99 3.64 -1.99 -0.41 116.57 125.92 1mbh h LYS 97 Ca -0.39 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1mbh h LYS 97 Cb 1.21 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1mbh h LYS 97 CO 0.57 0.75 0.00 1.49 -2.27 0.00 0.00 179.45 179.99 1mbh h GLU 98 N 1.17 0.01 -0.59 1.90 4.22 -1.98 0.19 114.58 119.51 1mbh h GLU 98 Ca 0.40 -0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.92 1mbh h GLU 98 Cb 0.10 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1mbh h GLU 98 CO -0.14 0.29 0.24 1.49 -2.18 0.00 0.00 179.01 178.71 1mbh h GLU 99 N -0.27 0.43 -0.66 1.92 4.81 -1.86 -0.13 114.58 118.82 1mbh h GLU 99 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1mbh h GLU 99 Cb 0.29 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1mbh h GLU 99 CO 0.00 0.28 0.19 -0.44 -0.73 0.00 0.00 179.01 178.32 1mbh h ASP 100 N 0.44 0.97 -0.71 1.04 3.32 -0.94 -2.57 116.42 117.97 1mbh h ASP 100 Ca 0.29 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1mbh h ASP 100 Cb 0.33 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1mbh h ASP 100 CO -0.27 0.93 0.39 -0.61 -1.72 0.00 0.00 179.24 177.95 1mbh h GLN 101 N 0.96 0.67 -0.36 3.56 5.75 1.00 0.23 115.11 126.91 1mbh h GLN 101 Ca 0.21 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1mbh h GLN 101 Cb 0.31 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1mbh h GLN 101 CO -0.00 0.44 0.20 0.00 -2.65 0.00 0.00 178.83 176.82 1mbh h ARG 102 N 0.69 0.51 -0.11 1.69 2.47 -0.81 -0.64 114.38 118.18 1mbh h ARG 102 Ca 0.33 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1mbh h ARG 102 Cb 0.26 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1mbh h ARG 102 CO -0.21 0.42 0.07 0.28 0.56 0.00 0.00 179.97 181.09 1mbh h VAL 103 N 0.46 1.06 -0.23 2.04 2.07 -0.97 -0.09 116.25 120.58 1mbh h VAL 103 Ca 0.13 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1mbh h VAL 103 Cb 0.06 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1mbh h VAL 103 CO -0.02 0.05 -0.18 0.40 0.02 0.00 0.00 177.57 177.84 1mbh h ILE 104 N 0.13 0.51 0.19 4.57 2.04 -0.75 0.18 117.51 124.38 1mbh h ILE 104 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1mbh h ILE 104 Cb 0.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1mbh h ILE 104 CO -0.01 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.76 1mbh h GLU 105 N -0.17 -0.54 -0.31 2.37 4.81 -0.84 -0.48 114.58 119.41 1mbh h GLU 105 Ca 0.13 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1mbh h GLU 105 Cb 0.37 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1mbh h GLU 105 CO -0.34 -0.36 0.07 -0.07 -0.73 0.00 0.00 179.01 177.58 1mbh h LEU 106 N -0.56 0.41 -0.33 1.64 3.38 -0.62 0.17 115.31 119.40 1mbh h LEU 106 Ca 0.01 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1mbh h LEU 106 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1mbh h LEU 106 CO -0.13 0.42 -0.64 0.58 0.09 0.00 0.00 178.44 178.76 1mbh h VAL 107 N 0.44 1.30 -0.33 1.22 2.07 -0.31 0.81 116.25 121.46 1mbh h VAL 107 Ca 0.11 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 1mbh h VAL 107 Cb 0.19 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1mbh h VAL 107 CO -0.00 0.59 -0.34 -0.61 0.02 0.00 0.00 177.57 177.23 1mbh h GLN 108 N 0.52 0.75 0.43 1.57 4.15 -0.51 0.04 115.11 122.06 1mbh h GLN 108 Ca -0.01 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.03 1mbh h GLN 108 Cb 1.23 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1mbh h GLN 108 CO 0.13 0.98 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.58 1mbh h LYS 109 N 0.63 -0.56 0.00 1.69 3.64 -0.55 -3.41 116.57 118.01 1mbh h LYS 109 Ca 0.06 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1mbh h LYS 109 Cb 0.87 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1mbh h LYS 109 CO 0.08 -0.37 -0.06 1.88 -2.27 0.00 0.00 179.45 178.70 1mbh h TYR 110 N -0.95 0.00 0.00 1.91 0.05 -0.94 -3.51 116.97 113.53 1mbh h TYR 110 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1mbh h TYR 110 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1mbh h TYR 110 CO 0.03 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.55 1mbh n GLY 111 N 1.85 1.77 3.48 3.88 0.00 0.00 -5.03 105.19 111.14 1mbh n GLY 111 Ca -0.01 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.94 -1.31 4.43 1.61 0.04 -1.25 -4.51 135.00 132.07 1mbh s PRO 112 Ca 0.00 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1mbh s PRO 112 Cb 0.00 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1mbh s PRO 112 CO 0.00 -3.89 0.00 1.63 0.04 0.00 0.00 177.00 174.78 1mbh n LYS 113 N -4.99 0.00 -3.61 4.56 5.02 -1.26 -4.93 118.16 112.95 1mbh n LYS 113 Ca 0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1mbh n LYS 113 Cb 0.57 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.62 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 3.74 -3.71 -1.43 1.97 1.74 -1.26 -4.83 116.66 112.88 1mbh n ARG 114 Ca 0.00 0.63 -0.37 0.00 -0.77 0.00 0.00 57.85 57.34 1mbh n ARG 114 Cb 0.00 -5.08 -0.04 0.00 -1.02 0.00 0.00 32.46 26.32 1mbh n ARG 114 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1mbh n TRP 115 N -4.07 2.27 0.12 -1.55 5.03 -1.26 -3.31 117.44 114.67 1mbh n TRP 115 Ca -0.22 -2.91 0.00 0.00 3.03 0.00 0.00 57.50 57.40 1mbh n TRP 115 Cb 0.65 -2.28 0.00 0.00 -1.03 0.00 0.00 31.31 28.65 1mbh n TRP 115 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 1mbh n SER 116 N 3.09 -1.19 -0.12 -0.99 3.41 -1.26 -4.12 113.62 112.44 1mbh n SER 116 Ca 0.73 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 59.68 1mbh n SER 116 Cb 0.29 1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1mbh h VAL 117 N 0.00 1.15 -0.42 -3.33 2.07 -1.95 -0.07 116.25 113.71 1mbh h VAL 117 Ca 0.00 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1mbh h VAL 117 Cb 0.00 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1mbh h VAL 117 CO 0.00 0.16 0.14 0.40 0.02 0.00 0.00 177.57 178.28 1mbh h ILE 118 N 0.45 1.21 -0.88 4.57 2.04 -1.89 -2.95 117.51 120.07 1mbh h ILE 118 Ca 0.13 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1mbh h ILE 118 Cb 0.08 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1mbh h ILE 118 CO -0.02 0.25 0.57 0.00 0.00 0.00 0.00 178.15 178.95 1mbh h ALA 119 N 0.98 1.15 -0.08 1.87 0.00 -1.72 0.43 119.26 121.90 1mbh h ALA 119 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1mbh h ALA 119 Cb 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mbh h ALA 119 CO -0.01 0.44 0.06 0.87 0.00 0.00 0.00 179.25 180.61 1mbh h LYS 120 N 1.12 0.00 0.10 0.00 1.57 -0.84 -2.32 116.57 116.20 1mbh h LYS 120 Ca 0.35 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.89 1mbh h LYS 120 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1mbh h LYS 120 CO -0.11 0.00 -1.20 0.45 -0.57 0.00 0.00 179.45 178.02 1mbh h HIS 121 N 0.00 0.37 -0.44 -1.35 3.86 -1.19 -3.39 115.15 113.01 1mbh h HIS 121 Ca 0.04 -0.27 -0.70 0.00 -1.16 0.00 0.00 60.37 58.28 1mbh h HIS 121 Cb 0.16 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 1mbh h HIS 121 CO 0.00 1.47 2.68 1.28 0.86 0.00 0.00 177.93 184.22 1mbh n LEU 122 N -4.06 6.04 -4.57 2.43 7.99 0.03 -4.90 117.00 119.96 1mbh n LEU 122 Ca -0.23 -4.07 -0.23 0.00 -0.01 0.00 0.00 56.01 51.47 1mbh n LEU 122 Cb 0.83 -1.69 -0.06 0.00 -0.11 0.00 0.00 43.42 42.39 1mbh n LEU 122 CO 0.39 0.72 1.32 -0.54 -1.51 0.00 0.00 177.39 177.77 1mbh s LYS 123 N 3.49 2.20 0.00 3.23 1.02 -1.24 -1.20 119.74 127.23 1mbh s LYS 123 Ca 0.50 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1mbh s LYS 123 Cb 0.09 -5.04 0.00 0.00 -0.52 0.00 0.00 37.83 32.37 1mbh s LYS 123 CO -0.02 -3.96 0.00 0.41 -0.92 0.00 0.00 175.35 170.87 1mbh n GLY 124 N 6.55 0.36 2.97 -3.33 0.00 -1.26 -5.09 105.19 105.39 1mbh n GLY 124 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 1.48 0.71 1.61 1.81 -0.34 -4.82 118.95 119.39 1mbh s ARG 125 Ca 0.00 -1.93 -0.12 0.00 -1.72 0.00 0.00 55.73 51.96 1mbh s ARG 125 Cb 0.00 -3.09 0.17 0.00 -0.45 0.00 0.00 34.95 31.58 1mbh s ARG 125 CO 0.00 -0.98 0.71 0.44 -0.68 0.00 0.00 175.30 174.79 1mbh n ILE 126 N 4.10 0.00 -1.22 1.52 -6.64 -1.26 -4.54 119.36 111.32 1mbh n ILE 126 Ca 0.04 -0.38 -0.41 0.00 -1.77 0.00 0.00 62.75 60.23 1mbh n ILE 126 Cb 0.40 -1.30 -0.04 0.00 -1.44 0.00 0.00 39.64 37.26 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1mbh n GLY 127 N -1.48 3.04 1.09 3.28 0.00 -1.26 -3.01 105.19 106.86 1mbh n GLY 127 Ca 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 6.44 0.00 -0.13 1.61 4.81 -1.26 -4.90 118.16 124.73 1mbh n LYS 128 Ca 0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.86 1mbh n LYS 128 Cb 0.37 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.42 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 0.55 -0.55 1.64 4.20 -1.87 -0.74 115.11 118.34 1mbh h GLN 129 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1mbh h GLN 129 Cb 0.00 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1mbh h GLN 129 CO 0.00 0.43 0.36 0.00 -0.67 0.00 0.00 178.83 178.95 1mbh h ARG 131 N 0.73 -1.12 -0.60 0.00 1.12 -1.74 -0.83 114.38 111.93 1mbh h ARG 131 Ca 0.21 0.08 0.05 0.00 -1.11 0.00 0.00 59.98 59.20 1mbh h ARG 131 Cb -0.06 0.25 -0.05 0.00 -0.01 0.00 0.00 29.97 30.10 1mbh h ARG 131 CO -0.05 -0.75 0.33 0.93 -3.11 0.00 0.00 179.97 177.32 1mbh h GLU 132 N -1.16 0.60 -0.98 0.20 5.08 -1.04 0.14 114.58 117.41 1mbh h GLU 132 Ca -0.11 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1mbh h GLU 132 Cb 0.92 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1mbh h GLU 132 CO 0.12 0.40 0.62 -0.09 -1.00 0.00 0.00 179.01 179.07 1mbh h ARG 133 N 0.62 0.92 -0.78 2.33 9.65 -0.72 0.10 114.38 126.50 1mbh h ARG 133 Ca 0.27 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.92 1mbh h ARG 133 Cb 0.15 -0.21 -0.10 0.00 -1.39 0.00 0.00 29.97 28.42 1mbh h ARG 133 CO -0.17 0.61 0.21 1.87 2.80 0.00 0.00 179.97 185.30 1mbh n TRP 134 N -4.60 2.13 -2.66 2.20 -0.00 -0.13 -2.56 117.44 111.81 1mbh n TRP 134 Ca 0.18 -1.02 -0.01 0.00 -0.00 0.00 0.00 57.50 56.66 1mbh n TRP 134 Cb 0.36 -0.61 0.06 0.00 -0.00 0.00 0.00 31.31 31.13 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 -0.01 -0.16 0.00 5.87 8.25 -0.01 -4.48 115.22 124.68 1mbh n HIS 135 Ca 0.34 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.15 1mbh n HIS 135 Cb 1.24 0.47 0.00 0.00 1.12 0.00 0.00 29.99 32.82 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 -0.75 0.00 -0.08 0.41 3.02 -1.04 -4.90 115.26 111.92 1mbh n ASN 136 Ca -0.05 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.42 1mbh n ASN 136 Cb 0.86 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 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 -1.86 0.58 -2.27 3.10 -0.00 -1.25 -4.97 115.22 108.55 1mbh n HIS 137 Ca 0.00 0.25 -0.30 0.00 -0.00 0.00 0.00 57.72 57.68 1mbh n HIS 137 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.28 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mbh s LEU 138 N -8.06 3.45 0.10 2.41 1.02 -1.06 -5.06 118.68 111.48 1mbh s LEU 138 Ca -0.22 1.22 -0.27 0.00 0.02 0.00 0.00 54.13 54.88 1mbh s LEU 138 Cb 0.04 -4.21 0.08 0.00 0.02 0.00 0.00 46.19 42.12 1mbh s LEU 138 CO 0.33 -0.71 1.07 0.21 0.02 0.00 0.00 176.35 177.27 1mbh s ASN 139 N -4.02 -0.14 0.22 2.29 2.47 -1.26 -3.33 114.94 111.17 1mbh s ASN 139 Ca 0.52 -0.32 -0.31 0.00 0.42 0.00 0.00 52.86 53.17 1mbh s ASN 139 Cb -0.11 0.38 -0.15 0.00 -1.45 0.00 0.00 41.25 39.93 1mbh s ASN 139 CO 0.48 -0.71 1.17 -2.65 -3.72 0.00 0.00 177.10 171.67 1mbh n PRO 140 N -0.48 1.39 0.00 0.43 -0.02 -1.26 -5.12 135.00 129.94 1mbh n PRO 140 Ca -0.07 0.49 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1mbh n PRO 140 Cb 0.61 -1.99 0.13 0.00 -0.02 0.00 0.00 33.50 32.24 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87