#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 4.19 -1.28 1.96 -1.09 -1.26 -4.93 121.20 118.79 1mbh s ILE 91 Ca 0.00 1.23 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 1mbh s ILE 91 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 1mbh s ILE 91 CO 0.00 -0.42 2.06 2.29 -1.23 0.00 0.00 174.94 177.64 1mbh n LYS 92 N -1.17 2.59 0.00 2.79 2.85 -1.26 -4.79 118.16 119.16 1mbh n LYS 92 Ca 0.08 -2.58 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 1mbh n LYS 92 Cb 0.53 -3.29 0.00 0.00 -0.65 0.00 0.00 35.03 31.63 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mbh n GLY 93 N 4.53 -1.50 3.56 2.58 0.00 -1.26 -4.71 105.19 108.40 1mbh n GLY 93 Ca 0.51 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.75 2.62 0.86 1.61 0.04 -1.26 -4.81 135.00 131.31 1mbh s PRO 94 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1mbh s PRO 94 Cb 0.00 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1mbh s PRO 94 CO 0.00 -3.25 0.00 0.91 0.04 0.00 0.00 177.00 174.70 1mbh n TRP 95 N 13.57 -3.09 -4.26 0.56 7.02 -1.26 -4.97 117.44 125.00 1mbh n TRP 95 Ca 0.38 1.20 -0.15 0.00 -1.02 0.00 0.00 57.50 57.91 1mbh n TRP 95 Cb 0.48 -2.12 -0.10 0.00 -2.42 0.00 0.00 31.31 27.14 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 -1.49 0.93 0.27 -0.99 -4.23 -1.26 -5.02 115.64 103.85 1mbh s THR 96 Ca 0.00 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1mbh s THR 96 Cb 0.00 -2.08 0.23 0.00 1.34 0.00 0.00 72.50 71.99 1mbh s THR 96 CO 0.00 -0.54 1.91 0.50 -0.54 0.00 0.00 174.62 175.95 1mbh h LYS 97 N 2.67 1.14 -0.32 3.99 3.64 -1.99 0.33 116.57 126.02 1mbh h LYS 97 Ca -0.37 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1mbh h LYS 97 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1mbh h LYS 97 CO 0.64 0.81 -0.10 1.49 -2.27 0.00 0.00 179.45 180.01 1mbh h GLU 98 N 1.15 0.64 -0.40 1.90 4.81 -1.98 -0.68 114.58 120.03 1mbh h GLU 98 Ca 0.30 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1mbh h GLU 98 Cb -0.02 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1mbh h GLU 98 CO -0.05 0.83 0.26 1.49 -0.73 0.00 0.00 179.01 180.81 1mbh h GLU 99 N 0.42 0.51 -0.06 1.92 4.81 -1.83 0.14 114.58 120.48 1mbh h GLU 99 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mbh h GLU 99 Cb 0.61 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1mbh h GLU 99 CO 0.04 0.34 0.02 -0.44 -0.73 0.00 0.00 179.01 178.24 1mbh h ASP 100 N 0.52 0.03 -0.91 1.04 3.32 -0.85 -0.57 116.42 119.00 1mbh h ASP 100 Ca 0.15 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.27 1mbh h ASP 100 Cb -0.05 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 1mbh h ASP 100 CO -0.04 0.03 0.57 -0.61 -1.72 0.00 0.00 179.24 177.46 1mbh h GLN 101 N 0.06 0.99 -0.71 3.56 5.75 -0.70 -0.29 115.11 123.77 1mbh h GLN 101 Ca 0.03 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1mbh h GLN 101 Cb 0.01 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1mbh h GLN 101 CO -0.02 0.65 0.25 -0.09 -2.65 0.00 0.00 178.83 176.97 1mbh h ARG 102 N 1.02 1.07 -0.66 1.69 2.43 -0.24 -1.42 114.38 118.27 1mbh h ARG 102 Ca 0.40 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1mbh h ARG 102 Cb 0.21 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1mbh h ARG 102 CO -0.19 0.89 0.22 0.28 -1.51 0.00 0.00 179.97 179.67 1mbh h VAL 103 N 1.04 1.25 -0.05 0.20 2.07 0.38 -0.11 116.25 121.02 1mbh h VAL 103 Ca 0.24 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1mbh h VAL 103 Cb 0.25 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1mbh h VAL 103 CO -0.01 0.32 -0.03 0.40 0.02 0.00 0.00 177.57 178.26 1mbh h ILE 104 N 0.95 0.89 -0.04 4.57 2.04 -0.58 -0.15 117.51 125.20 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 0.27 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1mbh h ILE 104 CO -0.01 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 178.04 1mbh h GLU 105 N -0.04 -0.02 -0.91 2.37 4.81 -1.02 0.50 114.58 120.26 1mbh h GLU 105 Ca 0.03 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1mbh h GLU 105 Cb 0.09 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1mbh h GLU 105 CO -0.08 -0.01 0.60 -0.07 -0.73 0.00 0.00 179.01 178.72 1mbh h LEU 106 N -0.02 1.00 -0.50 1.64 3.38 -0.80 0.86 115.31 120.86 1mbh h LEU 106 Ca 0.02 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1mbh h LEU 106 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1mbh h LEU 106 CO -0.05 0.69 -0.53 0.58 0.09 0.00 0.00 178.44 179.22 1mbh h VAL 107 N 1.16 1.31 0.00 1.22 2.07 -0.64 0.50 116.25 121.87 1mbh h VAL 107 Ca 0.36 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 1mbh h VAL 107 Cb -0.00 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1mbh h VAL 107 CO -0.11 0.55 -0.28 -0.61 0.02 0.00 0.00 177.57 177.15 1mbh h GLN 108 N 0.47 0.00 0.00 1.57 4.15 0.09 0.54 115.11 121.94 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 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1mbh h GLN 108 CO 0.10 0.28 -0.00 -0.22 -1.93 0.00 0.00 178.83 177.06 1mbh h LYS 109 N 0.00 -0.00 0.00 1.69 3.64 -0.46 -3.39 116.57 118.05 1mbh h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mbh h LYS 109 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1mbh h LYS 109 CO 0.04 -0.00 -0.44 1.88 -2.27 0.00 0.00 179.45 178.66 1mbh h TYR 110 N -0.64 0.00 0.00 1.91 0.05 -0.99 -3.51 116.97 113.80 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 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1mbh h TYR 110 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1mbh n GLY 111 N 1.25 -0.37 3.53 3.88 0.00 0.19 -4.97 105.19 108.71 1mbh n GLY 111 Ca 0.03 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.35 -0.45 3.82 1.61 0.04 -1.26 -4.65 135.00 132.77 1mbh s PRO 112 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1mbh s PRO 112 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1mbh s PRO 112 CO 0.00 -3.47 0.00 1.63 0.04 0.00 0.00 177.00 175.20 1mbh n LYS 113 N -4.76 0.00 -4.01 4.56 5.02 -1.26 -4.88 118.16 112.82 1mbh n LYS 113 Ca 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1mbh n LYS 113 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 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 0.00 -4.67 0.28 1.97 1.74 -1.26 -4.83 116.66 109.89 1mbh n ARG 114 Ca 0.00 0.52 0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1mbh n ARG 114 Cb 0.00 -5.32 0.81 0.00 -1.02 0.00 0.00 32.46 26.93 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 -1.88 0.00 -0.77 -1.55 4.06 -1.93 -1.98 115.95 111.91 1mbh h TRP 115 Ca -0.59 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.32 1mbh h TRP 115 Cb 1.38 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.59 0.07 0.31 0.77 -3.56 0.00 0.00 178.44 176.61 1mbh h SER 116 N 0.00 1.05 -0.01 -3.49 0.02 -1.94 0.89 113.55 110.07 1mbh h SER 116 Ca -0.00 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1mbh h SER 116 Cb 0.33 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1mbh h SER 116 CO 0.01 0.93 -0.15 0.58 -1.14 0.00 0.00 176.83 177.06 1mbh h VAL 117 N 1.11 1.55 -0.54 2.27 2.07 -1.74 -2.37 116.25 118.60 1mbh h VAL 117 Ca 0.26 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 66.00 1mbh h VAL 117 Cb 0.21 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 1mbh h VAL 117 CO -0.02 0.49 0.29 0.40 0.02 0.00 0.00 177.57 178.75 1mbh h ILE 118 N -0.55 0.98 -0.57 4.57 2.04 -1.39 -1.80 117.51 120.78 1mbh h ILE 118 Ca -0.02 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1mbh h ILE 118 Cb 0.88 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1mbh h ILE 118 CO 0.03 0.10 0.15 0.00 0.00 0.00 0.00 178.15 178.43 1mbh h ALA 119 N 1.28 1.18 -0.73 1.87 0.00 -0.89 -0.87 119.26 121.10 1mbh h ALA 119 Ca 0.23 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1mbh h ALA 119 Cb 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1mbh h ALA 119 CO -0.15 0.56 0.49 -0.22 0.00 0.00 0.00 179.25 179.93 1mbh h LYS 120 N 0.85 0.38 0.04 0.00 3.64 -0.77 -2.39 116.57 118.31 1mbh h LYS 120 Ca 0.19 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 1mbh h LYS 120 Cb 0.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1mbh h LYS 120 CO -0.00 0.25 -0.93 0.45 -2.27 0.00 0.00 179.45 176.95 1mbh h HIS 121 N 0.39 0.14 -0.13 1.91 3.86 -1.23 -3.38 115.15 116.70 1mbh h HIS 121 Ca 0.35 -0.10 -0.71 0.00 -1.16 0.00 0.00 60.37 58.75 1mbh h HIS 121 Cb 0.83 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 1mbh h HIS 121 CO -0.00 1.36 3.06 1.28 0.86 0.00 0.00 177.93 184.49 1mbh n LEU 122 N -4.33 6.91 -4.66 2.43 4.77 -0.38 -4.94 117.00 116.80 1mbh n LEU 122 Ca -0.23 -4.20 -0.43 0.00 -0.03 0.00 0.00 56.01 51.12 1mbh n LEU 122 Cb 0.69 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1mbh n LEU 122 CO 0.30 1.17 1.60 0.29 -1.33 0.00 0.00 177.39 179.42 1mbh n LYS 123 N 5.81 2.75 0.00 3.23 5.02 -1.20 -0.91 118.16 132.86 1mbh n LYS 123 Ca 0.52 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.81 1mbh n LYS 123 Cb 0.38 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 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 4.59 1.11 2.91 0.72 0.00 -1.26 -5.06 105.19 108.20 1mbh n GLY 124 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.25 1.31 1.06 1.61 1.81 -0.09 -5.10 118.95 119.31 1mbh s ARG 125 Ca 0.00 -1.76 -0.13 0.00 -1.72 0.00 0.00 55.73 52.13 1mbh s ARG 125 Cb 0.00 -2.82 0.23 0.00 -0.45 0.00 0.00 34.95 31.91 1mbh s ARG 125 CO 0.00 -0.99 1.07 0.96 -0.68 0.00 0.00 175.30 175.66 1mbh s ILE 126 N 0.91 2.03 0.29 1.52 -4.36 -1.26 -4.46 121.20 115.87 1mbh s ILE 126 Ca 0.12 0.01 0.04 0.00 -0.26 0.00 0.00 60.65 60.56 1mbh s ILE 126 Cb -0.20 -2.35 0.28 0.00 1.25 0.00 0.00 42.46 41.44 1mbh s ILE 126 CO -0.11 -0.01 1.78 1.23 0.24 0.00 0.00 174.94 178.07 1mbh h GLY 127 N -2.18 1.68 0.77 6.27 0.00 -1.95 -0.95 103.07 106.71 1mbh h GLY 127 Ca -0.57 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 46.44 1mbh h GLY 127 CO 0.55 -0.02 0.20 1.70 0.00 0.00 0.00 176.54 178.97 1mbh h LYS 128 N 0.78 0.39 0.18 4.80 3.64 -1.94 0.01 116.57 124.43 1mbh h LYS 128 Ca 0.54 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1mbh h LYS 128 Cb 0.77 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1mbh h LYS 128 CO -0.36 0.26 -0.09 1.96 -2.27 0.00 0.00 179.45 178.96 1mbh h GLN 129 N 0.41 -0.23 -0.49 1.90 4.20 -1.54 0.13 115.11 119.48 1mbh h GLN 129 Ca 0.18 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.00 1mbh h GLN 129 Cb 0.10 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.85 1mbh h GLN 129 CO -0.13 0.08 0.03 0.00 -0.67 0.00 0.00 178.83 178.13 1mbh h ARG 131 N 0.15 -0.21 -0.09 0.00 1.12 -0.94 -2.71 114.38 111.70 1mbh h ARG 131 Ca 0.25 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.17 1mbh h ARG 131 Cb 0.36 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.31 1mbh h ARG 131 CO -0.39 -0.07 -0.37 1.49 -3.11 0.00 0.00 179.97 177.53 1mbh h GLU 132 N -0.30 -0.45 -0.92 0.20 4.22 -0.30 0.83 114.58 117.85 1mbh h GLU 132 Ca -0.02 0.03 0.18 0.00 0.08 0.00 0.00 59.36 59.62 1mbh h GLU 132 Cb 0.24 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 1mbh h GLU 132 CO 0.04 -0.30 0.50 -0.09 -2.18 0.00 0.00 179.01 176.98 1mbh h ARG 133 N -0.47 0.63 0.16 1.92 9.65 -1.01 -2.80 114.38 122.45 1mbh h ARG 133 Ca 0.08 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1mbh h ARG 133 Cb 0.60 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1mbh h ARG 133 CO -0.35 0.42 -0.08 2.35 2.80 0.00 0.00 179.97 185.11 1mbh h TRP 134 N 0.65 -0.20 0.00 2.20 2.91 -0.94 -3.08 115.95 117.49 1mbh h TRP 134 Ca 0.53 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.54 1mbh h TRP 134 Cb 0.82 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1mbh h TRP 134 CO -0.06 0.24 0.00 0.72 -1.03 0.00 0.00 178.44 178.31 1mbh n HIS 135 N -4.92 0.00 0.00 2.65 8.25 0.18 -3.40 115.22 117.98 1mbh n HIS 135 Ca -0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1mbh n HIS 135 Cb 0.26 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 0.12 0.00 0.50 0.41 3.02 -1.08 -4.99 115.26 113.24 1mbh n ASN 136 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 1mbh n ASN 136 Cb 0.20 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 1mbh n ASN 136 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1mbh h HIS 137 N 0.00 -1.20 -3.24 3.10 3.86 -1.71 -3.44 115.15 112.52 1mbh h HIS 137 Ca 0.00 -0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.87 1mbh h HIS 137 Cb 0.00 0.40 -0.36 0.00 1.06 0.00 0.00 27.41 28.51 1mbh h HIS 137 CO 0.00 -0.74 -0.68 -0.48 0.86 0.00 0.00 177.93 176.90 1mbh s LEU 138 N -10.01 0.28 -0.41 2.43 2.34 -1.24 -5.05 118.68 107.02 1mbh s LEU 138 Ca -0.19 0.21 0.11 0.00 0.06 0.00 0.00 54.13 54.31 1mbh s LEU 138 Cb 0.02 0.11 0.37 0.00 -0.56 0.00 0.00 46.19 46.13 1mbh s LEU 138 CO 0.60 -0.22 0.82 -3.20 -1.06 0.00 0.00 176.35 173.30 1mbh n ASN 139 N 4.98 1.85 0.29 1.48 5.15 -1.22 -4.52 115.26 123.27 1mbh n ASN 139 Ca -0.11 -3.15 -0.12 0.00 -0.60 0.00 0.00 54.58 50.61 1mbh n ASN 139 Cb 0.50 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 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 2.98 -0.75 0.00 1.20 0.13 -1.97 -3.51 132.00 130.08 1mbh h PRO 140 Ca 0.09 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1mbh h PRO 140 Cb 0.90 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1mbh h PRO 140 CO 0.58 -0.50 0.00 0.39 -0.23 0.00 0.00 178.00 178.24