#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 3.02 -0.40 -0.08 -1.09 -1.26 -5.02 121.20 116.37 1mbh s ILE 91 Ca 0.00 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 1mbh s ILE 91 Cb 0.00 -3.31 0.18 0.00 -1.58 0.00 0.00 42.46 37.75 1mbh s ILE 91 CO 0.00 -0.09 0.67 -1.59 -1.23 0.00 0.00 174.94 172.70 1mbh s LYS 92 N -3.06 0.77 -0.03 2.79 -2.85 -1.26 -5.01 119.74 111.08 1mbh s LYS 92 Ca 0.70 -0.25 -0.01 0.00 -1.00 0.00 0.00 55.97 55.41 1mbh s LYS 92 Cb -0.27 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1mbh s LYS 92 CO 0.31 -1.11 0.02 0.41 0.10 0.00 0.00 175.35 175.09 1mbh n GLY 93 N 4.34 -2.02 3.56 0.59 0.00 -1.26 -4.82 105.19 105.58 1mbh n GLY 93 Ca 0.11 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 0.76 -1.40 1.61 -0.04 -1.26 -4.76 135.00 129.75 1mbh n PRO 94 Ca 0.00 -2.01 0.18 0.00 -0.04 0.00 0.00 63.50 61.64 1mbh n PRO 94 Cb 0.02 -3.78 -0.06 0.00 -0.04 0.00 0.00 33.50 29.64 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 16.99 -3.58 -4.00 0.54 7.02 -1.26 -5.00 117.44 128.14 1mbh n TRP 95 Ca 0.43 1.84 -0.09 0.00 -1.02 0.00 0.00 57.50 58.67 1mbh n TRP 95 Cb 0.46 -3.26 -0.11 0.00 -2.42 0.00 0.00 31.31 25.99 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 -2.84 0.13 0.38 -0.99 -4.23 -1.26 -5.04 115.64 101.80 1mbh s THR 96 Ca 0.00 -1.11 0.08 0.00 -1.18 0.00 0.00 61.69 59.48 1mbh s THR 96 Cb 0.00 -0.57 0.30 0.00 1.34 0.00 0.00 72.50 73.57 1mbh s THR 96 CO 0.00 -0.61 1.97 0.50 -0.54 0.00 0.00 174.62 175.94 1mbh h LYS 97 N 4.27 0.63 -0.27 3.99 3.64 -1.98 0.32 116.57 127.17 1mbh h LYS 97 Ca -0.32 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1mbh h LYS 97 Cb 1.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1mbh h LYS 97 CO 0.47 0.42 0.05 1.49 -2.27 0.00 0.00 179.45 179.61 1mbh h GLU 98 N 0.65 0.45 -0.35 1.90 4.81 -1.99 0.80 114.58 120.85 1mbh h GLU 98 Ca 0.30 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1mbh h GLU 98 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1mbh h GLU 98 CO -0.10 0.55 0.00 1.49 -0.73 0.00 0.00 179.01 180.23 1mbh h GLU 99 N 0.27 0.62 -0.80 1.92 4.81 -1.77 -2.86 114.58 116.78 1mbh h GLU 99 Ca 0.08 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1mbh h GLU 99 Cb 0.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1mbh h GLU 99 CO 0.00 0.73 0.53 -0.44 -0.73 0.00 0.00 179.01 179.10 1mbh h ASP 100 N 0.43 0.90 -0.88 1.04 3.32 -0.85 -2.04 116.42 118.34 1mbh h ASP 100 Ca 0.10 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.25 1mbh h ASP 100 Cb 0.45 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.70 1mbh h ASP 100 CO 0.02 0.65 0.50 -0.61 -1.72 0.00 0.00 179.24 178.07 1mbh h GLN 101 N 1.06 0.75 -0.23 3.56 5.75 -0.62 0.48 115.11 125.87 1mbh h GLN 101 Ca 0.30 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1mbh h GLN 101 Cb -0.10 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 1mbh h GLN 101 CO -0.07 0.49 0.09 0.00 -2.65 0.00 0.00 178.83 176.69 1mbh h ARG 102 N 0.77 0.34 -0.42 1.69 3.08 -1.17 -2.34 114.38 116.34 1mbh h ARG 102 Ca 0.45 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.47 1mbh h ARG 102 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1mbh h ARG 102 CO -0.30 0.39 0.22 0.28 -1.07 0.00 0.00 179.97 179.49 1mbh h VAL 103 N 0.21 0.98 -0.16 2.04 2.07 -0.83 0.17 116.25 120.74 1mbh h VAL 103 Ca 0.08 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1mbh h VAL 103 Cb 0.18 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1mbh h VAL 103 CO -0.01 0.08 -0.25 0.40 0.02 0.00 0.00 177.57 177.82 1mbh h ILE 104 N 0.44 0.40 0.29 4.57 2.04 -0.77 0.23 117.51 124.70 1mbh h ILE 104 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1mbh h ILE 104 Cb 0.07 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1mbh h ILE 104 CO -0.12 0.00 -0.14 -0.08 0.00 0.00 0.00 178.15 177.81 1mbh h GLU 105 N -0.30 -0.37 -0.52 2.37 4.22 -1.08 -1.15 114.58 117.75 1mbh h GLU 105 Ca 0.11 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.60 1mbh h GLU 105 Cb 0.46 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1mbh h GLU 105 CO -0.33 -0.21 0.34 -0.07 -2.18 0.00 0.00 179.01 176.56 1mbh h LEU 106 N -0.44 0.54 -0.07 1.64 3.38 -0.64 0.11 115.31 119.83 1mbh h LEU 106 Ca -0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1mbh h LEU 106 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1mbh h LEU 106 CO 0.06 0.38 -0.36 0.58 0.09 0.00 0.00 178.44 179.20 1mbh h VAL 107 N 0.64 1.42 -0.25 1.22 2.07 -0.40 0.51 116.25 121.46 1mbh h VAL 107 Ca 0.20 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1mbh h VAL 107 Cb 0.02 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1mbh h VAL 107 CO -0.05 0.51 0.13 -0.61 0.02 0.00 0.00 177.57 177.57 1mbh h GLN 108 N -0.13 0.34 0.36 1.57 4.15 -0.72 0.97 115.11 121.64 1mbh h GLN 108 Ca -0.03 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1mbh h GLN 108 Cb 1.02 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1mbh h GLN 108 CO 0.07 0.26 -0.17 -0.22 -1.93 0.00 0.00 178.83 176.84 1mbh h LYS 109 N 0.35 -0.46 0.00 1.69 3.64 -0.68 -3.44 116.57 117.67 1mbh h LYS 109 Ca 0.09 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1mbh h LYS 109 Cb 0.03 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1mbh h LYS 109 CO -0.01 -0.26 0.00 0.66 -2.27 0.00 0.00 179.45 177.56 1mbh n TYR 110 N -5.09 0.00 0.00 1.91 4.01 0.16 -5.09 117.16 113.06 1mbh n TYR 110 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1mbh n TYR 110 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 2.44 1.16 1.52 2.72 0.00 0.32 -4.96 105.19 108.39 1mbh n GLY 111 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 112 N -0.96 0.80 -4.13 1.61 -0.04 -1.26 -4.68 135.00 126.33 1mbh n PRO 112 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1mbh n PRO 112 Cb 0.00 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 1mbh n PRO 112 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1mbh s LYS 113 N 0.37 1.49 -1.36 0.54 1.02 -1.26 -4.91 119.74 115.63 1mbh s LYS 113 Ca 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 1mbh s LYS 113 Cb 0.00 0.36 0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1mbh s LYS 113 CO 0.00 -0.56 0.82 -2.13 -0.92 0.00 0.00 175.35 172.55 1mbh n ARG 114 N -0.40 -5.35 0.21 1.68 0.63 -1.26 -4.82 116.66 107.35 1mbh n ARG 114 Ca 0.02 0.64 0.14 0.00 -0.92 0.00 0.00 57.85 57.72 1mbh n ARG 114 Cb 0.64 -5.34 0.74 0.00 0.45 0.00 0.00 32.46 28.95 1mbh n ARG 114 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1mbh h TRP 115 N -1.98 0.00 -0.79 -0.14 4.06 -1.90 -0.33 115.95 114.87 1mbh h TRP 115 Ca -0.60 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.35 1mbh h TRP 115 Cb 1.36 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.48 1mbh h TRP 115 CO 0.49 0.00 0.51 0.77 -3.56 0.00 0.00 178.44 176.65 1mbh h SER 116 N 0.00 0.92 0.12 -3.49 0.02 -1.89 0.16 113.55 109.39 1mbh h SER 116 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1mbh h SER 116 Cb 0.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1mbh h SER 116 CO 0.00 0.68 -0.06 0.58 -1.14 0.00 0.00 176.83 176.89 1mbh h VAL 117 N 1.07 1.01 -1.00 2.27 2.07 -1.40 -1.21 116.25 119.06 1mbh h VAL 117 Ca 0.29 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mbh h VAL 117 Cb -0.10 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1mbh h VAL 117 CO -0.06 0.12 0.66 0.40 0.02 0.00 0.00 177.57 178.71 1mbh h ILE 118 N -0.40 1.25 -0.64 4.57 2.04 -1.56 -2.45 117.51 120.32 1mbh h ILE 118 Ca -0.02 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1mbh h ILE 118 Cb 0.32 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1mbh h ILE 118 CO 0.03 0.25 0.26 0.00 0.00 0.00 0.00 178.15 178.68 1mbh h ALA 119 N 1.38 0.83 -0.58 1.87 0.00 -0.54 0.21 119.26 122.43 1mbh h ALA 119 Ca 0.37 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1mbh h ALA 119 Cb -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1mbh h ALA 119 CO -0.08 0.44 0.39 0.87 0.00 0.00 0.00 179.25 180.88 1mbh h LYS 120 N 0.89 0.31 0.11 0.00 1.57 -0.73 -2.11 116.57 116.62 1mbh h LYS 120 Ca 0.21 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 1mbh h LYS 120 Cb 0.20 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1mbh h LYS 120 CO -0.02 0.21 -0.92 0.45 -0.57 0.00 0.00 179.45 178.59 1mbh h HIS 121 N 0.32 0.42 -0.87 -1.35 3.86 -1.28 -3.37 115.15 112.88 1mbh h HIS 121 Ca 0.27 -0.31 -0.71 0.00 -1.16 0.00 0.00 60.37 58.46 1mbh h HIS 121 Cb 0.64 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 29.00 1mbh h HIS 121 CO -0.00 1.36 2.36 1.28 0.86 0.00 0.00 177.93 183.78 1mbh n LEU 122 N -4.14 5.92 -4.57 2.43 4.32 0.01 -4.91 117.00 116.06 1mbh n LEU 122 Ca -0.18 -4.20 -0.23 0.00 -0.02 0.00 0.00 56.01 51.38 1mbh n LEU 122 Cb 0.80 -1.65 -0.07 0.00 -1.62 0.00 0.00 43.42 40.87 1mbh n LEU 122 CO 0.43 0.77 1.34 -0.54 -1.22 0.00 0.00 177.39 178.17 1mbh s LYS 123 N 2.82 2.09 0.00 3.23 1.02 -1.23 -2.07 119.74 125.60 1mbh s LYS 123 Ca 0.47 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1mbh s LYS 123 Cb 0.07 -5.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1mbh s LYS 123 CO -0.00 -4.27 0.00 0.41 -0.92 0.00 0.00 175.35 170.57 1mbh n GLY 124 N 6.24 0.56 3.56 -3.33 0.00 -1.26 -5.13 105.19 105.83 1mbh n GLY 124 Ca 0.43 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 2.90 1.04 1.61 1.81 -0.88 -5.13 118.95 120.31 1mbh s ARG 125 Ca 0.00 -0.55 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 1mbh s ARG 125 Cb 0.00 -2.64 0.24 0.00 -0.45 0.00 0.00 34.95 32.10 1mbh s ARG 125 CO 0.00 0.59 1.30 0.96 -0.68 0.00 0.00 175.30 177.47 1mbh s ILE 126 N -0.60 1.90 -1.28 1.52 -4.36 -1.26 -4.69 121.20 112.43 1mbh s ILE 126 Ca 0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 60.65 60.40 1mbh s ILE 126 Cb -0.12 -2.90 -0.10 0.00 1.25 0.00 0.00 42.46 40.59 1mbh s ILE 126 CO 0.02 0.00 2.84 0.61 0.24 0.00 0.00 174.94 178.65 1mbh n GLY 127 N -3.28 3.83 1.71 6.27 0.00 -1.26 -3.25 105.19 109.22 1mbh n GLY 127 Ca 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 3.58 0.00 -0.24 1.61 4.81 -1.26 -4.86 118.16 121.80 1mbh n LYS 128 Ca 0.67 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 58.12 1mbh n LYS 128 Cb 0.29 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.47 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 0.57 -0.22 1.64 1.08 -1.91 0.11 115.11 116.38 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 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1mbh h GLN 129 CO 0.00 0.38 0.14 0.00 -0.95 0.00 0.00 178.83 178.40 1mbh h ARG 131 N 0.29 -0.19 0.20 0.00 1.12 -1.57 -2.15 114.38 112.08 1mbh h ARG 131 Ca 0.08 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1mbh h ARG 131 Cb -0.03 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 1mbh h ARG 131 CO -0.02 -0.13 -0.28 0.93 -3.11 0.00 0.00 179.97 177.36 1mbh h GLU 132 N -0.20 -0.53 -0.84 0.20 3.07 -0.63 0.90 114.58 116.55 1mbh h GLU 132 Ca 0.02 0.04 0.18 0.00 -0.50 0.00 0.00 59.36 59.09 1mbh h GLU 132 Cb 0.21 0.12 -0.16 0.00 -0.84 0.00 0.00 28.75 28.08 1mbh h GLU 132 CO -0.05 -0.35 -0.14 -0.09 -1.40 0.00 0.00 179.01 176.98 1mbh h ARG 133 N -0.55 0.02 0.24 2.33 9.65 -0.87 -1.35 114.38 123.86 1mbh h ARG 133 Ca 0.01 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1mbh h ARG 133 Cb 0.54 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1mbh h ARG 133 CO -0.11 0.01 -0.12 2.35 2.80 0.00 0.00 179.97 184.91 1mbh h TRP 134 N 0.02 -0.30 -0.00 2.20 2.91 -0.76 -2.96 115.95 117.06 1mbh h TRP 134 Ca 0.43 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.44 1mbh h TRP 134 Cb 0.71 0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1mbh h TRP 134 CO -0.59 0.03 0.00 0.72 -1.03 0.00 0.00 178.44 177.57 1mbh n HIS 135 N -5.09 0.00 0.00 2.65 8.25 0.25 -3.51 115.22 117.77 1mbh n HIS 135 Ca -0.09 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1mbh n HIS 135 Cb 0.24 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 0.69 0.00 -0.09 0.41 3.02 -0.80 -4.96 115.26 113.52 1mbh n ASN 136 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1mbh n ASN 136 Cb 0.50 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.53 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 -0.38 0.21 -0.15 3.10 1.44 -1.22 -4.98 115.22 113.24 1mbh n HIS 137 Ca 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1mbh n HIS 137 Cb 0.00 -1.03 0.00 0.00 0.12 0.00 0.00 29.99 29.08 1mbh n HIS 137 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1mbh n LEU 138 N -2.99 0.00 -1.44 2.39 7.99 -1.12 -4.86 117.00 116.96 1mbh n LEU 138 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.65 1mbh n LEU 138 Cb 1.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.40 1mbh n LEU 138 CO 0.38 -0.24 0.00 -3.20 -1.51 0.00 0.00 177.39 172.82 1mbh n ASN 139 N -0.59 -1.95 0.00 -1.43 5.15 -1.24 -4.77 115.26 110.43 1mbh n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1mbh n ASN 139 Cb 0.00 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.44 0.00 0.00 1.20 -0.04 -1.26 -5.13 135.00 128.32 1mbh n PRO 140 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1mbh n PRO 140 Cb 0.49 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85