#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 -0.22 -1.35 1.96 -1.16 -1.26 -4.92 121.20 114.25 1mbh s ILE 91 Ca 0.00 0.03 -0.14 0.00 -0.51 0.00 0.00 60.65 60.02 1mbh s ILE 91 Cb 0.00 -0.91 0.13 0.00 0.61 0.00 0.00 42.46 42.29 1mbh s ILE 91 CO 0.00 0.01 0.51 1.17 -2.81 0.00 0.00 174.94 173.82 1mbh n LYS 92 N 4.58 -2.47 -0.41 3.50 3.00 -1.26 -4.56 118.16 120.54 1mbh n LYS 92 Ca -0.18 0.28 0.06 0.00 -0.00 0.00 0.00 58.31 58.46 1mbh n LYS 92 Cb 0.56 -4.92 -0.01 0.00 0.00 0.00 0.00 35.03 30.66 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 -1.07 -1.40 2.31 3.14 0.00 -1.26 -3.83 105.19 103.08 1mbh n GLY 93 Ca 0.05 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.36 2.80 -1.42 1.61 -0.04 -1.26 -4.84 135.00 129.48 1mbh n PRO 94 Ca 0.00 -1.67 0.19 0.00 -0.04 0.00 0.00 63.50 61.98 1mbh n PRO 94 Cb 0.19 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 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 3.45 -3.64 -4.03 0.54 7.02 -1.25 -5.01 117.44 114.53 1mbh n TRP 95 Ca 0.60 1.86 -0.08 0.00 -1.02 0.00 0.00 57.50 58.86 1mbh n TRP 95 Cb 0.36 -3.30 -0.10 0.00 -2.42 0.00 0.00 31.31 25.85 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 -2.78 0.18 0.38 -0.99 -4.23 -1.26 -5.04 115.64 101.89 1mbh s THR 96 Ca 0.00 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1mbh s THR 96 Cb 0.00 -1.11 0.29 0.00 1.34 0.00 0.00 72.50 73.02 1mbh s THR 96 CO 0.00 -0.80 1.99 0.50 -0.54 0.00 0.00 174.62 175.77 1mbh h LYS 97 N 3.58 0.67 0.35 3.99 1.63 -1.98 0.23 116.57 125.03 1mbh h LYS 97 Ca -0.33 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.41 1mbh h LYS 97 Cb 1.17 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1mbh h LYS 97 CO 0.57 0.44 -0.17 1.49 -3.45 0.00 0.00 179.45 178.33 1mbh h GLU 98 N 0.69 -0.46 -0.84 1.90 4.81 -1.98 0.24 114.58 118.94 1mbh h GLU 98 Ca 0.26 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1mbh h GLU 98 Cb 0.17 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1mbh h GLU 98 CO -0.08 -0.22 0.48 1.49 -0.73 0.00 0.00 179.01 179.96 1mbh h GLU 99 N -0.61 1.15 -0.13 1.92 4.57 -1.85 0.08 114.58 119.71 1mbh h GLU 99 Ca -0.05 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1mbh h GLU 99 Cb 0.45 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1mbh h GLU 99 CO 0.08 0.83 0.08 -0.44 -1.18 0.00 0.00 179.01 178.38 1mbh h ASP 100 N 1.16 0.15 -0.96 1.04 3.32 -0.86 0.36 116.42 120.62 1mbh h ASP 100 Ca 0.30 -0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.40 1mbh h ASP 100 Cb -0.01 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 1mbh h ASP 100 CO -0.05 0.13 0.61 -0.61 -1.72 0.00 0.00 179.24 177.59 1mbh h GLN 101 N 0.16 1.04 -0.55 3.56 5.75 -0.49 0.51 115.11 125.10 1mbh h GLN 101 Ca 0.05 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1mbh h GLN 101 Cb -0.00 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 1mbh h GLN 101 CO -0.01 0.69 0.32 -0.09 -2.65 0.00 0.00 178.83 177.09 1mbh h ARG 102 N 1.07 0.75 -0.28 1.69 2.43 -0.22 -1.73 114.38 118.09 1mbh h ARG 102 Ca 0.43 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1mbh h ARG 102 Cb 0.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1mbh h ARG 102 CO -0.20 0.55 0.14 0.28 -1.51 0.00 0.00 179.97 179.24 1mbh h VAL 103 N 0.73 1.14 -0.26 0.20 2.07 0.25 -0.59 116.25 119.80 1mbh h VAL 103 Ca 0.19 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1mbh h VAL 103 Cb 0.01 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1mbh h VAL 103 CO -0.03 0.15 -0.23 0.40 0.02 0.00 0.00 177.57 177.88 1mbh h ILE 104 N 0.33 0.42 0.50 4.57 2.04 -0.61 0.15 117.51 124.90 1mbh h ILE 104 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1mbh h ILE 104 Cb 0.11 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1mbh h ILE 104 CO -0.01 0.00 -0.24 -0.08 0.00 0.00 0.00 178.15 177.82 1mbh h GLU 105 N -0.22 -0.64 -0.51 2.37 4.81 -1.16 -1.65 114.58 117.58 1mbh h GLU 105 Ca 0.14 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1mbh h GLU 105 Cb 0.44 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1mbh h GLU 105 CO -0.39 -0.43 0.12 -0.07 -0.73 0.00 0.00 179.01 177.52 1mbh h LEU 106 N -0.68 0.04 -0.86 1.64 3.38 -0.69 0.19 115.31 118.33 1mbh h LEU 106 Ca -0.07 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1mbh h LEU 106 Cb 0.52 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1mbh h LEU 106 CO 0.11 0.05 0.28 0.58 0.09 0.00 0.00 178.44 179.55 1mbh h VAL 107 N 0.26 1.25 0.00 1.22 2.07 -0.66 0.12 116.25 120.52 1mbh h VAL 107 Ca 0.26 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1mbh h VAL 107 Cb 0.34 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1mbh h VAL 107 CO -0.32 0.33 -0.47 -0.61 0.02 0.00 0.00 177.57 176.52 1mbh h GLN 108 N 1.09 0.00 0.05 1.57 4.15 -0.26 0.48 115.11 122.18 1mbh h GLN 108 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 1mbh h GLN 108 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1mbh h GLN 108 CO -0.02 0.47 -0.02 0.87 -1.93 0.00 0.00 178.83 178.20 1mbh h LYS 109 N 0.00 -0.06 0.00 1.69 1.57 0.03 -3.43 116.57 116.37 1mbh h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mbh h LYS 109 Cb 0.90 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1mbh h LYS 109 CO 0.06 0.56 0.00 0.66 -0.57 0.00 0.00 179.45 180.16 1mbh n TYR 110 N -4.79 0.00 0.00 -1.35 4.01 0.36 -5.09 117.16 110.30 1mbh n TYR 110 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1mbh n TYR 110 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 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 2.61 3.18 3.54 2.72 0.00 0.15 -5.02 105.19 112.38 1mbh n GLY 111 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.18 -0.62 -1.61 1.61 0.04 -1.26 -3.69 135.00 127.29 1mbh s PRO 112 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1mbh s PRO 112 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1mbh s PRO 112 CO 0.00 -3.48 0.00 1.63 0.04 0.00 0.00 177.00 175.19 1mbh n LYS 113 N -4.72 -1.22 -2.42 4.56 4.76 -1.26 -4.86 118.16 113.00 1mbh n LYS 113 Ca 0.03 0.97 -0.04 0.00 -2.87 0.00 0.00 58.31 56.40 1mbh n LYS 113 Cb 0.56 -5.25 0.05 0.00 -1.84 0.00 0.00 35.03 28.54 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 -2.55 1.86 0.30 1.97 1.74 -1.24 -4.87 116.66 113.87 1mbh n ARG 114 Ca -0.18 -3.43 0.19 0.00 -0.77 0.00 0.00 57.85 53.66 1mbh n ARG 114 Cb 0.59 -1.53 0.90 0.00 -1.02 0.00 0.00 32.46 31.40 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 2.26 0.00 -0.35 -1.55 4.06 -1.89 -1.22 115.95 117.26 1mbh h TRP 115 Ca -0.05 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 1mbh h TRP 115 Cb 1.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.54 1mbh h TRP 115 CO 0.54 0.02 -0.08 0.66 -3.56 0.00 0.00 178.44 176.02 1mbh h SER 116 N 0.00 0.67 -0.07 -3.49 4.64 -1.93 0.93 113.55 114.31 1mbh h SER 116 Ca -0.00 -0.36 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 1mbh h SER 116 Cb 0.29 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1mbh h SER 116 CO 0.00 0.88 -0.16 0.58 -0.87 0.00 0.00 176.83 177.26 1mbh h VAL 117 N 0.46 1.42 -0.77 0.95 2.07 -1.75 -2.43 116.25 116.20 1mbh h VAL 117 Ca 0.09 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1mbh h VAL 117 Cb 0.57 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 1mbh h VAL 117 CO 0.03 0.42 0.50 0.40 0.02 0.00 0.00 177.57 178.94 1mbh h ILE 118 N -0.27 1.15 -0.72 4.57 2.04 -1.27 -2.37 117.51 120.64 1mbh h ILE 118 Ca -0.00 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1mbh h ILE 118 Cb 0.76 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1mbh h ILE 118 CO 0.03 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.60 1mbh h ALA 119 N 1.31 0.94 -0.20 1.87 0.00 -0.83 -0.05 119.26 122.30 1mbh h ALA 119 Ca 0.30 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1mbh h ALA 119 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1mbh h ALA 119 CO -0.09 0.62 0.17 0.87 0.00 0.00 0.00 179.25 180.82 1mbh h LYS 120 N 1.06 0.00 0.07 0.00 1.57 -0.91 -2.05 116.57 116.32 1mbh h LYS 120 Ca 0.23 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.77 1mbh h LYS 120 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1mbh h LYS 120 CO -0.01 0.00 -1.29 0.45 -0.57 0.00 0.00 179.45 178.03 1mbh h HIS 121 N 0.00 0.28 -0.28 -1.35 3.86 -1.22 -3.39 115.15 113.05 1mbh h HIS 121 Ca 0.10 -0.20 -0.71 0.00 -1.16 0.00 0.00 60.37 58.39 1mbh h HIS 121 Cb 0.44 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 1mbh h HIS 121 CO 0.00 1.51 2.88 1.28 0.86 0.00 0.00 177.93 184.45 1mbh n LEU 122 N -4.09 6.52 -4.43 2.43 4.77 -0.09 -4.88 117.00 117.23 1mbh n LEU 122 Ca -0.26 -4.15 -0.30 0.00 -0.03 0.00 0.00 56.01 51.26 1mbh n LEU 122 Cb 0.81 -1.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 1mbh n LEU 122 CO 0.34 0.97 1.59 0.29 -1.33 0.00 0.00 177.39 179.25 1mbh n LYS 123 N 6.28 1.55 0.00 3.23 5.02 -1.22 -2.12 118.16 130.89 1mbh n LYS 123 Ca 0.50 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1mbh n LYS 123 Cb 0.40 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.81 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 5.59 0.28 3.22 0.72 0.00 -1.26 -5.12 105.19 108.63 1mbh n GLY 124 Ca 0.46 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 3.13 1.02 1.61 1.81 -0.90 -4.96 118.95 120.66 1mbh s ARG 125 Ca 0.00 -0.79 -0.13 0.00 -1.72 0.00 0.00 55.73 53.09 1mbh s ARG 125 Cb 0.00 -2.57 0.20 0.00 -0.45 0.00 0.00 34.95 32.13 1mbh s ARG 125 CO 0.00 -0.03 1.10 0.96 -0.68 0.00 0.00 175.30 176.65 1mbh s ILE 126 N 0.90 1.95 0.31 1.52 -4.36 -1.26 -4.70 121.20 115.56 1mbh s ILE 126 Ca -0.04 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.40 1mbh s ILE 126 Cb -0.15 -2.53 0.30 0.00 1.25 0.00 0.00 42.46 41.33 1mbh s ILE 126 CO -0.02 0.00 1.82 1.23 0.24 0.00 0.00 174.94 178.21 1mbh h GLY 127 N -1.96 1.58 0.95 6.27 0.00 -1.93 -1.43 103.07 106.55 1mbh h GLY 127 Ca -0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 1mbh h GLY 127 CO 0.56 0.07 -0.24 1.70 0.00 0.00 0.00 176.54 178.62 1mbh h LYS 128 N 0.84 -0.61 -0.40 4.80 3.64 -1.92 0.63 116.57 123.55 1mbh h LYS 128 Ca 0.52 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.98 1mbh h LYS 128 Cb 0.70 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1mbh h LYS 128 CO -0.29 -0.41 0.17 1.96 -2.27 0.00 0.00 179.45 178.61 1mbh h GLN 129 N -0.64 0.34 -0.42 1.90 4.20 -1.76 0.16 115.11 118.89 1mbh h GLN 129 Ca -0.06 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1mbh h GLN 129 Cb 0.50 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1mbh h GLN 129 CO 0.08 0.23 0.17 0.00 -0.67 0.00 0.00 178.83 178.63 1mbh h ARG 131 N 0.34 -0.63 -0.25 0.00 1.12 -0.28 -2.77 114.38 111.92 1mbh h ARG 131 Ca 0.19 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.15 1mbh h ARG 131 Cb 0.16 0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.21 1mbh h ARG 131 CO -0.18 -0.39 -0.06 0.93 -3.11 0.00 0.00 179.97 177.16 1mbh h GLU 132 N -0.71 0.00 -0.99 0.20 3.07 -0.78 0.12 114.58 115.50 1mbh h GLU 132 Ca -0.07 -0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.03 1mbh h GLU 132 Cb 0.53 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.36 1mbh h GLU 132 CO 0.11 0.00 0.65 -0.09 -1.40 0.00 0.00 179.01 178.28 1mbh h ARG 133 N 0.00 0.38 0.00 2.33 9.65 -0.90 -2.60 114.38 123.24 1mbh h ARG 133 Ca 0.12 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1mbh h ARG 133 Cb 0.18 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1mbh h ARG 133 CO -0.26 0.25 -0.28 2.35 2.80 0.00 0.00 179.97 184.84 1mbh h TRP 134 N 0.39 0.00 0.00 2.20 2.91 -0.88 -3.24 115.95 117.33 1mbh h TRP 134 Ca 0.54 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.56 1mbh h TRP 134 Cb 1.39 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.04 1mbh h TRP 134 CO -0.00 0.73 0.00 0.72 -1.03 0.00 0.00 178.44 178.86 1mbh n HIS 135 N -4.62 0.00 0.00 2.65 8.25 0.30 -3.73 115.22 118.07 1mbh n HIS 135 Ca -0.11 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 1mbh n HIS 135 Cb 0.37 -0.32 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 0.94 0.00 0.14 0.41 3.02 -1.09 -4.97 115.26 113.71 1mbh n ASN 136 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1mbh n ASN 136 Cb 0.44 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.36 -3.77 3.10 3.86 -1.70 -3.47 115.15 112.81 1mbh h HIS 137 Ca 0.00 -0.01 -0.25 0.00 -1.16 0.00 0.00 60.37 58.95 1mbh h HIS 137 Cb 0.00 0.12 -0.28 0.00 1.06 0.00 0.00 27.41 28.31 1mbh h HIS 137 CO 0.00 -0.22 -0.73 -0.48 0.86 0.00 0.00 177.93 177.36 1mbh s LEU 138 N -7.08 2.00 -0.44 2.43 2.34 -1.24 -5.08 118.68 111.61 1mbh s LEU 138 Ca -0.06 -0.02 0.03 0.00 0.06 0.00 0.00 54.13 54.14 1mbh s LEU 138 Cb 0.01 -0.06 0.23 0.00 -0.56 0.00 0.00 46.19 45.80 1mbh s LEU 138 CO 0.17 0.01 0.95 -3.20 -1.06 0.00 0.00 176.35 173.23 1mbh n ASN 139 N 3.04 -2.51 0.00 1.48 5.15 -1.26 -4.51 115.26 116.66 1mbh n ASN 139 Ca -0.12 -2.56 0.00 0.00 -0.60 0.00 0.00 54.58 51.30 1mbh n ASN 139 Cb 0.60 1.43 0.00 0.00 -0.53 0.00 0.00 39.78 41.27 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1mbh n PRO 140 N 2.08 0.00 -0.11 1.20 -0.04 -1.26 -5.13 135.00 131.74 1mbh n PRO 140 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1mbh n PRO 140 Cb 0.63 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85