#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 4.37 0.00 1.47 -1.09 -1.26 -5.07 121.20 119.62 1mbh s ILE 91 Ca 0.00 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1mbh s ILE 91 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1mbh s ILE 91 CO 0.00 -0.90 0.00 2.29 -1.23 0.00 0.00 174.94 175.10 1mbh n LYS 92 N -2.56 0.83 -0.41 2.79 2.85 -1.26 -5.03 118.16 115.37 1mbh n LYS 92 Ca 0.07 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.02 1mbh n LYS 92 Cb 0.54 0.00 0.29 0.00 -0.65 0.00 0.00 35.03 35.20 1mbh n LYS 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1mbh s GLY 93 N -1.16 1.42 -1.12 2.58 0.00 -1.26 -4.79 107.32 103.00 1mbh s GLY 93 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.79 1mbh s GLY 93 CO 0.00 0.17 2.32 -1.55 0.00 0.00 0.00 173.10 174.04 1mbh n PRO 94 N -5.61 2.50 -1.46 2.90 -0.04 -1.26 -4.87 135.00 127.16 1mbh n PRO 94 Ca 0.13 -1.77 0.19 0.00 -0.04 0.00 0.00 63.50 62.01 1mbh n PRO 94 Cb 0.60 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.54 -3.72 -4.12 0.54 7.02 -1.26 -5.02 117.44 115.42 1mbh n TRP 95 Ca 0.55 1.92 -0.08 0.00 -1.02 0.00 0.00 57.50 58.86 1mbh n TRP 95 Cb 0.20 -3.38 -0.10 0.00 -2.42 0.00 0.00 31.31 25.61 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 -2.94 0.22 0.25 -0.99 -4.23 -1.26 -5.03 115.64 101.66 1mbh s THR 96 Ca 0.00 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1mbh s THR 96 Cb 0.00 -1.75 0.23 0.00 1.34 0.00 0.00 72.50 72.32 1mbh s THR 96 CO 0.00 -0.77 1.86 0.50 -0.54 0.00 0.00 174.62 175.67 1mbh h LYS 97 N 3.01 0.99 -0.04 3.99 3.64 -1.98 -0.26 116.57 125.92 1mbh h LYS 97 Ca -0.35 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1mbh h LYS 97 Cb 1.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1mbh h LYS 97 CO 0.63 0.66 -0.01 1.49 -2.27 0.00 0.00 179.45 179.95 1mbh h GLU 98 N 1.02 0.07 -0.74 1.90 4.81 -1.98 0.24 114.58 119.90 1mbh h GLU 98 Ca 0.39 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.68 1mbh h GLU 98 Cb 0.18 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1mbh h GLU 98 CO -0.18 0.44 0.40 1.49 -0.73 0.00 0.00 179.01 180.43 1mbh h GLU 99 N -0.30 0.68 -0.30 1.92 4.81 -1.88 -0.52 114.58 118.99 1mbh h GLU 99 Ca 0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1mbh h GLU 99 Cb 0.41 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1mbh h GLU 99 CO 0.00 0.45 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.08 1mbh h ASP 100 N 0.70 0.71 -0.82 1.04 3.32 -0.97 -2.97 116.42 117.44 1mbh h ASP 100 Ca 0.35 -0.44 0.11 0.00 0.02 0.00 0.00 57.03 57.08 1mbh h ASP 100 Cb 0.31 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 1mbh h ASP 100 CO -0.23 1.00 0.44 -0.61 -1.72 0.00 0.00 179.24 178.12 1mbh h GLN 101 N 0.43 0.69 0.29 3.56 5.75 0.47 0.61 115.11 126.91 1mbh h GLN 101 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1mbh h GLN 101 Cb 0.76 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1mbh h GLN 101 CO 0.06 0.45 -0.14 0.00 -2.65 0.00 0.00 178.83 176.55 1mbh h ARG 102 N 0.71 -0.38 -0.16 1.69 2.47 -1.07 -0.48 114.38 117.15 1mbh h ARG 102 Ca 0.42 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.19 1mbh h ARG 102 Cb 0.47 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1mbh h ARG 102 CO -0.29 -0.24 -0.04 0.28 0.56 0.00 0.00 179.97 180.24 1mbh h VAL 103 N -0.41 0.83 -0.17 2.04 2.07 -1.19 0.37 116.25 119.80 1mbh h VAL 103 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1mbh h VAL 103 Cb 0.31 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1mbh h VAL 103 CO 0.07 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.87 1mbh h ILE 104 N -0.00 0.52 0.02 4.57 2.04 -0.77 0.85 117.51 124.73 1mbh h ILE 104 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1mbh h ILE 104 Cb 0.12 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1mbh h ILE 104 CO -0.17 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 177.88 1mbh h GLU 105 N -0.21 -0.05 -1.00 2.37 4.22 -0.73 -0.91 114.58 118.28 1mbh h GLU 105 Ca 0.11 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.56 1mbh h GLU 105 Cb 0.38 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1mbh h GLU 105 CO -0.29 -0.03 0.66 -0.07 -2.18 0.00 0.00 179.01 177.10 1mbh h LEU 106 N -0.05 1.15 -0.39 1.64 3.38 -0.57 0.27 115.31 120.74 1mbh h LEU 106 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1mbh h LEU 106 Cb 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1mbh h LEU 106 CO -0.01 0.84 0.00 0.58 0.09 0.00 0.00 178.44 179.94 1mbh h VAL 107 N 1.36 1.26 -0.20 1.22 2.07 -0.58 0.43 116.25 121.81 1mbh h VAL 107 Ca 0.37 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 1mbh h VAL 107 Cb -0.15 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1mbh h VAL 107 CO -0.08 0.34 -0.37 -0.61 0.02 0.00 0.00 177.57 176.87 1mbh h GLN 108 N 0.52 0.44 0.29 1.57 4.15 -0.67 0.95 115.11 122.36 1mbh h GLN 108 Ca 0.11 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1mbh h GLN 108 Cb 0.47 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1mbh h GLN 108 CO 0.02 0.75 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.31 1mbh h LYS 109 N 0.37 -0.38 0.00 1.69 3.64 -0.26 -3.40 116.57 118.24 1mbh h LYS 109 Ca 0.04 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1mbh h LYS 109 Cb 0.82 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1mbh h LYS 109 CO 0.07 -0.25 -0.40 1.88 -2.27 0.00 0.00 179.45 178.48 1mbh h TYR 110 N -0.98 0.00 0.00 1.91 0.05 -1.02 -3.51 116.97 113.42 1mbh h TYR 110 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1mbh h TYR 110 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1mbh h TYR 110 CO 0.01 0.87 0.00 0.41 -1.05 0.00 0.00 178.16 178.40 1mbh n GLY 111 N 1.59 4.17 3.56 3.88 0.00 0.33 -5.05 105.19 113.67 1mbh n GLY 111 Ca -0.14 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.48 -0.51 -1.10 1.61 0.04 -1.24 -4.01 135.00 126.31 1mbh s PRO 112 Ca 0.00 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.62 1mbh s PRO 112 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1mbh s PRO 112 CO 0.00 -3.39 0.44 1.63 0.04 0.00 0.00 177.00 175.72 1mbh n LYS 113 N -4.65 -3.53 -2.60 4.56 4.76 -1.26 -4.93 118.16 110.51 1mbh n LYS 113 Ca 0.04 0.65 -0.12 0.00 -2.87 0.00 0.00 58.31 56.01 1mbh n LYS 113 Cb 0.56 -4.96 0.03 0.00 -1.84 0.00 0.00 35.03 28.82 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 -3.08 1.98 0.26 1.97 1.74 -1.26 -4.89 116.66 113.37 1mbh n ARG 114 Ca -0.08 -3.66 0.11 0.00 -0.77 0.00 0.00 57.85 53.45 1mbh n ARG 114 Cb 0.59 -1.63 0.68 0.00 -1.02 0.00 0.00 32.46 31.08 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 2.75 0.00 -0.69 -1.55 -0.00 -1.91 -0.38 115.95 114.17 1mbh h TRP 115 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1mbh h TRP 115 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.31 1mbh h TRP 115 CO 0.60 0.12 0.24 0.77 -0.00 0.00 0.00 178.44 180.17 1mbh h SER 116 N 0.00 0.96 0.03 -3.49 0.02 -1.94 0.44 113.55 109.57 1mbh h SER 116 Ca -0.00 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1mbh h SER 116 Cb 0.28 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1mbh h SER 116 CO 0.02 0.87 -0.27 0.58 -1.14 0.00 0.00 176.83 176.89 1mbh h VAL 117 N 1.00 1.67 -0.75 2.27 2.07 -1.72 -3.23 116.25 117.57 1mbh h VAL 117 Ca 0.23 -2.38 0.07 0.00 0.82 0.00 0.00 66.70 65.44 1mbh h VAL 117 Cb 0.24 3.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.22 1mbh h VAL 117 CO -0.01 0.61 0.43 0.40 0.02 0.00 0.00 177.57 179.02 1mbh h ILE 118 N -0.86 0.96 -0.69 4.57 2.04 -1.09 -2.07 117.51 120.36 1mbh h ILE 118 Ca -0.06 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1mbh h ILE 118 Cb 1.16 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1mbh h ILE 118 CO 0.02 0.14 0.43 0.00 0.00 0.00 0.00 178.15 178.73 1mbh h ALA 119 N 1.39 0.91 -0.16 1.87 0.00 -1.03 0.68 119.26 122.92 1mbh h ALA 119 Ca 0.34 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1mbh h ALA 119 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mbh h ALA 119 CO -0.20 0.18 0.13 0.87 0.00 0.00 0.00 179.25 180.24 1mbh h LYS 120 N 0.83 0.00 0.14 0.00 1.57 -1.39 -2.19 116.57 115.53 1mbh h LYS 120 Ca 0.28 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.71 1mbh h LYS 120 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1mbh h LYS 120 CO -0.12 0.00 -1.87 0.45 -0.57 0.00 0.00 179.45 177.33 1mbh h HIS 121 N 0.00 0.53 -0.63 -1.35 3.86 -1.19 -3.40 115.15 112.97 1mbh h HIS 121 Ca 0.08 -0.39 -0.68 0.00 -1.16 0.00 0.00 60.37 58.21 1mbh h HIS 121 Cb 0.35 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 1mbh h HIS 121 CO 0.00 1.74 2.44 1.28 0.86 0.00 0.00 177.93 184.25 1mbh n LEU 122 N -3.57 5.42 -4.10 2.43 7.99 0.13 -4.88 117.00 120.42 1mbh n LEU 122 Ca -0.30 -3.97 -0.38 0.00 -0.01 0.00 0.00 56.01 51.36 1mbh n LEU 122 Cb 1.04 -1.72 -0.04 0.00 -0.11 0.00 0.00 43.42 42.58 1mbh n LEU 122 CO 0.44 0.38 1.99 0.29 -1.51 0.00 0.00 177.39 178.98 1mbh n LYS 123 N 7.80 2.03 0.00 3.23 5.02 -1.25 -2.08 118.16 132.90 1mbh n LYS 123 Ca 0.50 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 1mbh n LYS 123 Cb 0.44 -3.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.12 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 5.01 0.42 2.92 0.72 0.00 -1.26 -5.10 105.19 107.90 1mbh n GLY 124 Ca 0.48 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 1.61 1.02 1.61 1.81 -0.88 -4.89 118.95 119.22 1mbh s ARG 125 Ca 0.00 -0.74 -0.17 0.00 -1.72 0.00 0.00 55.73 53.10 1mbh s ARG 125 Cb 0.00 -2.30 0.25 0.00 -0.45 0.00 0.00 34.95 32.45 1mbh s ARG 125 CO 0.00 -0.49 1.03 0.44 -0.68 0.00 0.00 175.30 175.60 1mbh n ILE 126 N 4.77 0.00 0.03 1.52 -5.35 -1.26 -4.56 119.36 114.51 1mbh n ILE 126 Ca -0.13 -0.57 0.20 0.00 -0.27 0.00 0.00 62.75 61.99 1mbh n ILE 126 Cb 0.46 -1.32 0.71 0.00 -1.74 0.00 0.00 39.64 37.75 1mbh n ILE 126 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1mbh h GLY 127 N -2.17 0.00 0.71 3.28 0.00 -1.91 -0.31 103.07 102.67 1mbh h GLY 127 Ca -0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1mbh h GLY 127 CO 0.25 0.00 -0.27 1.70 0.00 0.00 0.00 176.54 178.22 1mbh h LYS 128 N 0.00 -0.72 -0.73 4.80 1.63 -1.92 -0.06 116.57 119.58 1mbh h LYS 128 Ca 0.23 0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 60.03 1mbh h LYS 128 Cb 0.97 0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 1mbh h LYS 128 CO -0.00 -0.41 0.25 1.96 -3.45 0.00 0.00 179.45 177.79 1mbh h GLN 129 N -1.05 1.11 0.12 1.90 7.50 -1.76 -1.71 115.11 121.21 1mbh h GLN 129 Ca -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 58.85 1mbh h GLN 129 Cb 0.64 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.00 1mbh h GLN 129 CO 0.12 0.93 -0.06 0.00 -1.50 0.00 0.00 178.83 178.33 1mbh h ARG 131 N -0.26 0.29 0.84 0.00 1.12 -0.84 -2.07 114.38 113.47 1mbh h ARG 131 Ca -0.02 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.80 1mbh h ARG 131 Cb 0.21 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1mbh h ARG 131 CO 0.03 0.19 -0.40 0.93 -3.11 0.00 0.00 179.97 177.61 1mbh h GLU 132 N 0.30 -1.09 -0.97 0.20 5.08 -1.15 -0.29 114.58 116.67 1mbh h GLU 132 Ca 0.23 0.07 0.33 0.00 -1.00 0.00 0.00 59.36 58.99 1mbh h GLU 132 Cb 0.25 0.25 -0.18 0.00 0.50 0.00 0.00 28.75 29.57 1mbh h GLU 132 CO -0.25 -0.72 0.24 -2.13 -1.00 0.00 0.00 179.01 175.14 1mbh n ARG 133 N -5.52 -0.07 0.16 2.33 3.00 0.30 -1.24 116.66 115.61 1mbh n ARG 133 Ca -0.14 1.40 -0.07 0.00 -0.00 0.00 0.00 57.85 59.04 1mbh n ARG 133 Cb 0.45 -2.34 -0.03 0.00 0.00 0.00 0.00 32.46 30.53 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 -0.42 -0.38 -0.14 2.91 -1.22 -3.24 115.95 113.46 1mbh h TRP 134 Ca 0.69 -0.01 -0.28 0.00 1.13 0.00 0.00 58.89 60.41 1mbh h TRP 134 Cb 1.63 0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 30.31 1mbh h TRP 134 CO -0.28 -0.26 -0.05 0.72 -1.03 0.00 0.00 178.44 177.53 1mbh n HIS 135 N -4.53 0.61 0.01 2.65 8.25 -0.13 -3.34 115.22 118.75 1mbh n HIS 135 Ca -0.06 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.77 1mbh n HIS 135 Cb 0.18 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 29.89 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 1.76 -0.07 -3.18 0.41 3.02 -0.73 -4.88 115.26 111.58 1mbh n ASN 136 Ca 0.41 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.79 1mbh n ASN 136 Cb 0.74 0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 40.05 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 -2.56 0.24 -0.55 3.10 1.44 -1.22 -5.08 115.22 110.58 1mbh n HIS 137 Ca 0.00 -3.76 0.00 0.00 -2.01 0.00 0.00 57.72 51.95 1mbh n HIS 137 Cb 0.00 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.71 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1mbh n LEU 138 N 0.60 0.00 -2.29 2.39 7.94 -1.21 -4.94 117.00 119.49 1mbh n LEU 138 Ca 0.24 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.12 1mbh n LEU 138 Cb 0.61 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.56 1mbh n LEU 138 CO 0.21 0.00 0.13 -3.20 -1.11 0.00 0.00 177.39 173.42 1mbh n ASN 139 N 0.00 -4.72 0.09 1.96 5.15 -1.26 -4.94 115.26 111.54 1mbh n ASN 139 Ca 0.00 -0.12 0.12 0.00 -0.60 0.00 0.00 54.58 53.98 1mbh n ASN 139 Cb 0.00 -3.05 0.45 0.00 -0.53 0.00 0.00 39.78 36.65 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 -1.63 0.16 0.00 1.20 -0.04 -1.26 -5.18 135.00 128.26 1mbh n PRO 140 Ca -0.01 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1mbh n PRO 140 Cb 0.52 -1.75 0.68 0.00 -0.04 0.00 0.00 33.50 32.90 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85