#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 2.36 0.20 1.96 -1.09 -1.26 -4.91 121.20 118.46 1mbh s ILE 91 Ca 0.00 0.31 -0.33 0.00 -2.23 0.00 0.00 60.65 58.40 1mbh s ILE 91 Cb 0.00 -3.20 -0.14 0.00 -1.58 0.00 0.00 42.46 37.55 1mbh s ILE 91 CO 0.00 0.05 1.49 2.29 -1.23 0.00 0.00 174.94 177.55 1mbh n LYS 92 N 2.16 2.08 -2.85 2.79 2.85 -1.26 -3.55 118.16 120.38 1mbh n LYS 92 Ca 0.07 0.75 -0.06 0.00 -1.05 0.00 0.00 58.31 58.02 1mbh n LYS 92 Cb 0.39 -2.46 0.01 0.00 -0.65 0.00 0.00 35.03 32.31 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 2.80 -2.48 3.56 2.58 0.00 -1.26 -4.67 105.19 105.73 1mbh n GLY 93 Ca 0.14 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.89 1mbh n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mbh n PRO 94 N 0.22 0.30 -2.78 1.61 -0.02 -1.23 -3.90 135.00 129.20 1mbh n PRO 94 Ca 0.05 -1.24 -0.00 0.00 -2.02 0.00 0.00 63.50 60.29 1mbh n PRO 94 Cb 0.28 -3.71 -0.00 0.00 -0.02 0.00 0.00 33.50 30.05 1mbh n PRO 94 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mbh n TRP 95 N 18.84 -3.53 -1.92 6.00 7.02 -1.26 -4.99 117.44 137.60 1mbh n TRP 95 Ca 0.43 1.60 -0.32 0.00 -1.02 0.00 0.00 57.50 58.19 1mbh n TRP 95 Cb 0.45 -3.63 0.01 0.00 -2.42 0.00 0.00 31.31 25.72 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 -1.50 4.25 0.49 -0.99 -4.23 -1.25 -4.85 115.64 107.56 1mbh s THR 96 Ca -0.02 0.87 0.15 0.00 -1.18 0.00 0.00 61.69 61.51 1mbh s THR 96 Cb 0.00 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.55 1mbh s THR 96 CO 0.69 -0.82 2.10 0.50 -0.54 0.00 0.00 174.62 176.54 1mbh h LYS 97 N -0.03 0.17 -0.04 3.99 3.11 -1.98 0.51 116.57 122.31 1mbh h LYS 97 Ca -0.45 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.37 1mbh h LYS 97 Cb 1.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1mbh h LYS 97 CO 0.59 0.11 -0.01 1.49 -2.81 0.00 0.00 179.45 178.82 1mbh h GLU 98 N 0.17 0.07 -0.79 1.90 4.81 -1.99 0.84 114.58 119.59 1mbh h GLU 98 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1mbh h GLU 98 Cb 0.15 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1mbh h GLU 98 CO -0.02 0.43 0.51 1.49 -0.73 0.00 0.00 179.01 180.70 1mbh h GLU 99 N -0.29 1.05 -0.44 1.92 4.81 -1.72 -0.52 114.58 119.39 1mbh h GLU 99 Ca 0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1mbh h GLU 99 Cb 0.40 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1mbh h GLU 99 CO 0.00 0.71 0.23 -0.44 -0.73 0.00 0.00 179.01 178.79 1mbh h ASP 100 N 1.08 0.56 -0.93 1.04 3.32 -0.82 -0.56 116.42 120.09 1mbh h ASP 100 Ca 0.29 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1mbh h ASP 100 Cb -0.10 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1mbh h ASP 100 CO -0.06 0.50 0.61 -0.61 -1.72 0.00 0.00 179.24 177.95 1mbh h GLN 101 N 0.57 1.16 -0.53 3.56 5.75 -0.23 -0.49 115.11 124.90 1mbh h GLN 101 Ca 0.15 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1mbh h GLN 101 Cb 0.07 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1mbh h GLN 101 CO -0.02 0.77 0.20 -0.09 -2.65 0.00 0.00 178.83 177.04 1mbh h ARG 102 N 1.19 0.80 -0.14 1.69 2.43 -0.59 -1.78 114.38 117.98 1mbh h ARG 102 Ca 0.36 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1mbh h ARG 102 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1mbh h ARG 102 CO -0.11 0.71 0.07 0.28 -1.51 0.00 0.00 179.97 179.41 1mbh h VAL 103 N 0.72 1.00 -0.23 0.20 2.07 -0.30 -0.09 116.25 119.63 1mbh h VAL 103 Ca 0.18 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1mbh h VAL 103 Cb 0.22 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1mbh h VAL 103 CO -0.01 0.03 -0.14 0.40 0.02 0.00 0.00 177.57 177.87 1mbh h ILE 104 N 0.16 0.59 -0.11 4.57 2.04 -0.90 0.83 117.51 124.68 1mbh h ILE 104 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1mbh h ILE 104 Cb 0.01 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1mbh h ILE 104 CO -0.04 0.00 0.02 -0.08 0.00 0.00 0.00 178.15 178.05 1mbh h GLU 105 N -0.12 0.07 -0.31 2.37 4.57 -1.06 -1.08 114.58 119.02 1mbh h GLU 105 Ca 0.13 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1mbh h GLU 105 Cb 0.31 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1mbh h GLU 105 CO -0.30 0.04 0.15 -0.07 -1.18 0.00 0.00 179.01 177.65 1mbh h LEU 106 N 0.07 0.22 -1.57 1.64 3.38 -0.51 -1.89 115.31 116.64 1mbh h LEU 106 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1mbh h LEU 106 Cb 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1mbh h LEU 106 CO -0.07 0.17 -0.20 0.58 0.09 0.00 0.00 178.44 179.01 1mbh h VAL 107 N 0.32 1.15 0.00 1.22 2.07 -0.65 0.75 116.25 121.11 1mbh h VAL 107 Ca 0.13 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1mbh h VAL 107 Cb 0.04 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1mbh h VAL 107 CO -0.09 0.21 -0.16 -0.61 0.02 0.00 0.00 177.57 176.94 1mbh h GLN 108 N 0.01 0.00 0.00 1.57 5.75 -0.38 0.45 115.11 122.52 1mbh h GLN 108 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 1mbh h GLN 108 Cb 0.37 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1mbh h GLN 108 CO 0.03 0.16 -0.70 1.17 -2.65 0.00 0.00 178.83 176.83 1mbh n LYS 109 N -4.00 0.48 -0.01 1.69 4.81 -0.37 -4.75 118.16 116.02 1mbh n LYS 109 Ca -0.02 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 57.94 1mbh n LYS 109 Cb 0.24 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 33.59 1mbh n LYS 109 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1mbh h TYR 110 N -1.00 -0.07 0.00 5.64 0.05 -0.95 -3.52 116.97 117.12 1mbh h TYR 110 Ca -0.08 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1mbh h TYR 110 Cb 0.70 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1mbh h TYR 110 CO -0.15 -0.04 0.00 0.41 -1.05 0.00 0.00 178.16 177.33 1mbh n GLY 111 N 1.60 0.96 1.56 3.88 0.00 0.15 -4.83 105.19 108.50 1mbh n GLY 111 Ca -0.01 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.53 0.74 -3.52 1.61 -0.04 -1.26 -4.67 135.00 126.32 1mbh n PRO 112 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1mbh n PRO 112 Cb 0.00 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbh n LYS 113 N 1.52 0.52 -3.64 0.54 5.02 -1.26 -4.94 118.16 115.91 1mbh n LYS 113 Ca 0.00 -2.28 -0.22 0.00 -2.02 0.00 0.00 58.31 53.79 1mbh n LYS 113 Cb 0.37 2.13 0.06 0.00 -0.02 0.00 0.00 35.03 37.57 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 -0.46 -6.12 0.28 1.97 1.74 -1.26 -4.83 116.66 107.97 1mbh n ARG 114 Ca 0.01 0.72 0.15 0.00 -0.77 0.00 0.00 57.85 57.97 1mbh n ARG 114 Cb 0.47 -5.57 0.85 0.00 -1.02 0.00 0.00 32.46 27.18 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 -2.08 0.00 -0.44 -1.55 4.06 -1.92 -0.23 115.95 113.80 1mbh h TRP 115 Ca -0.59 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.26 1mbh h TRP 115 Cb 1.36 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1mbh h TRP 115 CO 0.48 0.06 -0.14 1.03 -3.56 0.00 0.00 178.44 176.31 1mbh h SER 116 N 0.00 0.81 -0.04 -3.49 0.87 -1.91 0.11 113.55 109.89 1mbh h SER 116 Ca -0.00 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1mbh h SER 116 Cb 0.18 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1mbh h SER 116 CO 0.01 0.95 -0.12 0.58 -0.53 0.00 0.00 176.83 177.72 1mbh h VAL 117 N 0.72 1.45 -1.00 2.23 2.07 -1.44 -2.43 116.25 117.86 1mbh h VAL 117 Ca 0.12 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1mbh h VAL 117 Cb 0.64 2.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 1mbh h VAL 117 CO 0.04 0.41 0.65 0.40 0.02 0.00 0.00 177.57 179.10 1mbh h ILE 118 N -0.39 1.17 -0.81 4.57 2.04 -1.24 -1.89 117.51 120.97 1mbh h ILE 118 Ca -0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1mbh h ILE 118 Cb 0.73 -0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1mbh h ILE 118 CO 0.03 0.23 0.43 0.00 0.00 0.00 0.00 178.15 178.83 1mbh h ALA 119 N 1.41 1.04 0.00 1.87 0.00 -0.76 -1.52 119.26 121.30 1mbh h ALA 119 Ca 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1mbh h ALA 119 Cb -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1mbh h ALA 119 CO -0.12 0.57 -0.08 0.87 0.00 0.00 0.00 179.25 180.48 1mbh h LYS 120 N 1.13 0.00 -0.00 0.00 1.57 -0.84 0.35 116.57 118.78 1mbh h LYS 120 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1mbh h LYS 120 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1mbh h LYS 120 CO -0.04 0.08 -0.34 0.72 -0.57 0.00 0.00 179.45 179.30 1mbh n HIS 121 N -3.64 0.00 -3.33 -1.35 8.25 -0.62 -4.18 115.22 110.34 1mbh n HIS 121 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1mbh n HIS 121 Cb 0.19 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.47 2.65 -4.46 2.41 4.77 0.11 -5.07 117.00 115.94 1mbh n LEU 122 Ca 0.06 -5.22 -0.50 0.00 -0.03 0.00 0.00 56.01 50.33 1mbh n LEU 122 Cb 0.34 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1mbh n LEU 122 CO 0.32 2.08 1.82 0.29 -1.33 0.00 0.00 177.39 180.57 1mbh n LYS 123 N 0.98 1.11 0.00 3.23 5.02 -1.20 -1.23 118.16 126.06 1mbh n LYS 123 Ca 0.27 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1mbh n LYS 123 Cb 0.45 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 6.49 2.79 3.98 0.72 0.00 -1.26 -5.13 105.19 112.79 1mbh n GLY 124 Ca 0.41 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 2.48 0.18 1.61 1.81 -0.36 -5.13 118.95 119.54 1mbh s ARG 125 Ca 0.00 -0.91 0.02 0.00 -1.72 0.00 0.00 55.73 53.12 1mbh s ARG 125 Cb 0.00 -2.51 -0.01 0.00 -0.45 0.00 0.00 34.95 31.98 1mbh s ARG 125 CO 0.00 -0.74 0.09 0.44 -0.68 0.00 0.00 175.30 174.41 1mbh n ILE 126 N -2.32 0.00 -1.16 1.52 -5.35 -1.26 -4.82 119.36 105.97 1mbh n ILE 126 Ca 0.09 -1.13 -0.33 0.00 -0.27 0.00 0.00 62.75 61.11 1mbh n ILE 126 Cb 0.60 0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mbh n GLY 127 N 0.55 3.88 2.22 3.28 0.00 -1.26 -3.64 105.19 110.22 1mbh n GLY 127 Ca -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 3.57 0.00 -0.15 1.61 4.81 -1.26 -4.86 118.16 121.87 1mbh n LYS 128 Ca 0.68 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 58.10 1mbh n LYS 128 Cb 0.28 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.39 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 0.19 -0.23 1.64 7.50 -1.98 0.41 115.11 122.63 1mbh h GLN 129 Ca 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1mbh h GLN 129 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1mbh h GLN 129 CO 0.00 0.12 0.14 0.00 -1.50 0.00 0.00 178.83 177.59 1mbh h ARG 131 N 0.28 -0.23 0.68 0.00 1.12 -1.65 -1.76 114.38 112.83 1mbh h ARG 131 Ca 0.08 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.94 1mbh h ARG 131 Cb 0.03 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1mbh h ARG 131 CO -0.02 -0.15 -0.36 0.93 -3.11 0.00 0.00 179.97 177.26 1mbh h GLU 132 N -0.23 -0.92 -0.96 0.20 3.07 -0.80 0.48 114.58 115.42 1mbh h GLU 132 Ca 0.04 0.06 0.31 0.00 -0.50 0.00 0.00 59.36 59.27 1mbh h GLU 132 Cb 0.29 0.21 -0.18 0.00 -0.84 0.00 0.00 28.75 28.23 1mbh h GLU 132 CO -0.13 -0.61 0.16 -2.13 -1.40 0.00 0.00 179.01 174.90 1mbh n ARG 133 N -4.68 -0.07 0.18 2.33 3.00 -0.11 -1.28 116.66 116.03 1mbh n ARG 133 Ca -0.12 1.41 -0.08 0.00 -0.00 0.00 0.00 57.85 59.06 1mbh n ARG 133 Cb 0.38 -2.32 -0.04 0.00 0.00 0.00 0.00 32.46 30.49 1mbh n ARG 133 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1mbh h TRP 134 N 0.00 -0.47 0.00 -0.14 2.91 -1.05 -2.12 115.95 115.07 1mbh h TRP 134 Ca 0.65 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.65 1mbh h TRP 134 Cb 1.48 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 30.28 1mbh h TRP 134 CO -0.35 -0.29 -0.03 0.72 -1.03 0.00 0.00 178.44 177.45 1mbh n HIS 135 N -4.43 0.00 0.01 2.65 8.25 0.14 -2.27 115.22 119.57 1mbh n HIS 135 Ca -0.06 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 1mbh n HIS 135 Cb 0.20 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.73 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 1.61 0.01 0.00 0.41 3.02 -0.68 -4.92 115.26 114.71 1mbh n ASN 136 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1mbh n ASN 136 Cb 0.51 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.60 0.00 0.25 3.10 1.44 -1.21 -4.95 115.22 111.25 1mbh n HIS 137 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1mbh n HIS 137 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1mbh n HIS 137 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1mbh h LEU 138 N 0.00 -0.58 -2.16 2.39 5.85 -1.46 -3.44 115.31 115.91 1mbh h LEU 138 Ca 0.00 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1mbh h LEU 138 Cb 0.16 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1mbh h LEU 138 CO 0.00 -0.21 0.53 -3.20 -0.34 0.00 0.00 178.44 175.22 1mbh n ASN 139 N -4.99 -0.27 0.09 1.25 4.05 -0.96 -4.76 115.26 109.66 1mbh n ASN 139 Ca -0.09 -0.10 -0.14 0.00 0.45 0.00 0.00 54.58 54.71 1mbh n ASN 139 Cb 0.27 -0.17 -0.11 0.00 1.23 0.00 0.00 39.78 40.99 1mbh n ASN 139 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1mbh h PRO 140 N 3.04 0.24 0.00 1.20 0.13 -1.92 -3.51 132.00 131.19 1mbh h PRO 140 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1mbh h PRO 140 Cb 0.32 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1mbh h PRO 140 CO 0.42 1.15 0.00 0.39 -0.23 0.00 0.00 178.00 179.74