#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 3.23 -1.33 -0.08 -1.09 -1.26 -4.16 121.20 116.51 1mbh s ILE 91 Ca 0.00 -0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1mbh s ILE 91 Cb 0.00 -3.31 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1mbh s ILE 91 CO 0.00 -0.31 1.08 1.17 -1.23 0.00 0.00 174.94 175.65 1mbh n LYS 92 N -2.66 -7.36 -0.31 2.79 4.81 -1.26 -4.68 118.16 109.49 1mbh n LYS 92 Ca 0.06 0.81 0.04 0.00 -0.87 0.00 0.00 58.31 58.34 1mbh n LYS 92 Cb 0.58 -5.75 -0.01 0.00 0.02 0.00 0.00 35.03 29.87 1mbh n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mbh n GLY 93 N -1.91 -1.95 2.14 3.14 0.00 -1.26 -4.32 105.19 101.04 1mbh n GLY 93 Ca -0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.63 2.07 -1.47 1.61 -0.04 -1.26 -4.80 135.00 128.48 1mbh n PRO 94 Ca -0.01 -1.12 0.19 0.00 -0.04 0.00 0.00 63.50 62.53 1mbh n PRO 94 Cb 0.14 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 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 2.83 -3.77 -4.01 0.54 7.02 -1.26 -5.01 117.44 113.77 1mbh n TRP 95 Ca 0.44 1.94 -0.08 0.00 -1.02 0.00 0.00 57.50 58.78 1mbh n TRP 95 Cb 0.67 -3.43 -0.10 0.00 -2.42 0.00 0.00 31.31 26.04 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 0.17 0.36 -0.99 -4.23 -1.26 -5.04 115.64 101.82 1mbh s THR 96 Ca 0.00 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 1mbh s THR 96 Cb 0.00 -1.13 0.30 0.00 1.34 0.00 0.00 72.50 73.00 1mbh s THR 96 CO 0.00 -0.79 1.95 0.07 -0.54 0.00 0.00 174.62 175.31 1mbh h LYS 97 N 3.51 0.73 -0.11 3.99 2.10 -1.99 -0.00 116.57 124.80 1mbh h LYS 97 Ca -0.33 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.23 1mbh h LYS 97 Cb 1.17 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1mbh h LYS 97 CO 0.57 0.49 -0.10 0.93 -2.00 0.00 0.00 179.45 179.34 1mbh h GLU 98 N 0.76 0.26 -0.74 0.07 3.07 -1.98 -0.86 114.58 115.16 1mbh h GLU 98 Ca 0.33 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1mbh h GLU 98 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1mbh h GLU 98 CO -0.12 0.66 0.37 1.49 -1.40 0.00 0.00 179.01 180.01 1mbh h GLU 99 N -0.13 1.05 0.09 2.33 4.57 -1.84 0.15 114.58 120.81 1mbh h GLU 99 Ca 0.02 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1mbh h GLU 99 Cb 0.60 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1mbh h GLU 99 CO 0.02 0.79 -0.04 -0.44 -1.18 0.00 0.00 179.01 178.17 1mbh h ASP 100 N 1.04 -0.10 -0.82 1.04 3.32 -0.93 -0.83 116.42 119.15 1mbh h ASP 100 Ca 0.26 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.13 1mbh h ASP 100 Cb 0.08 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1mbh h ASP 100 CO -0.04 0.17 0.51 -0.61 -1.72 0.00 0.00 179.24 177.56 1mbh h GLN 101 N -0.38 0.94 -0.35 3.56 -0.00 -0.88 -0.18 115.11 117.82 1mbh h GLN 101 Ca -0.01 -0.06 0.04 0.00 -0.00 0.00 0.00 58.65 58.63 1mbh h GLN 101 Cb 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 27.48 27.55 1mbh h GLN 101 CO 0.02 0.62 0.10 -0.09 0.00 0.00 0.00 178.83 179.48 1mbh h ARG 102 N 0.97 0.23 -0.67 1.69 2.43 -0.54 -1.40 114.38 117.09 1mbh h ARG 102 Ca 0.34 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1mbh h ARG 102 Cb 0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1mbh h ARG 102 CO -0.14 0.15 0.30 0.28 -1.51 0.00 0.00 179.97 179.04 1mbh h VAL 103 N 0.24 1.23 -0.36 0.20 2.07 -0.29 -0.80 116.25 118.54 1mbh h VAL 103 Ca 0.16 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1mbh h VAL 103 Cb 0.15 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1mbh h VAL 103 CO -0.18 0.28 -0.08 0.40 0.02 0.00 0.00 177.57 178.01 1mbh h ILE 104 N 0.94 0.65 0.06 4.57 2.04 -0.33 0.25 117.51 125.69 1mbh h ILE 104 Ca 0.23 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1mbh h ILE 104 Cb 0.16 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1mbh h ILE 104 CO -0.02 0.00 -0.03 -0.08 0.00 0.00 0.00 178.15 178.02 1mbh h GLU 105 N 0.01 -0.08 -0.60 2.37 4.81 -0.94 -1.25 114.58 118.90 1mbh h GLU 105 Ca 0.17 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1mbh h GLU 105 Cb 0.26 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1mbh h GLU 105 CO -0.36 0.04 0.37 -0.07 -0.73 0.00 0.00 179.01 178.26 1mbh h LEU 106 N -0.18 0.71 -0.27 1.64 3.38 -0.68 -0.03 115.31 119.87 1mbh h LEU 106 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1mbh h LEU 106 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1mbh h LEU 106 CO 0.01 0.54 -0.17 0.58 0.09 0.00 0.00 178.44 179.50 1mbh h VAL 107 N 0.82 1.30 -0.62 1.22 2.07 -0.31 0.79 116.25 121.53 1mbh h VAL 107 Ca 0.22 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1mbh h VAL 107 Cb -0.04 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1mbh h VAL 107 CO -0.04 0.40 0.33 -0.61 0.02 0.00 0.00 177.57 177.67 1mbh h GLN 108 N 0.32 0.86 0.28 1.57 4.15 -0.67 0.12 115.11 121.74 1mbh h GLN 108 Ca 0.06 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1mbh h GLN 108 Cb 0.69 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1mbh h GLN 108 CO 0.05 0.64 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.23 1mbh h LYS 109 N 0.86 -0.37 0.00 1.69 3.11 -0.77 -3.43 116.57 117.67 1mbh h LYS 109 Ca 0.22 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1mbh h LYS 109 Cb 0.04 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1mbh h LYS 109 CO -0.03 -0.02 0.00 0.66 -2.81 0.00 0.00 179.45 177.25 1mbh n TYR 110 N -5.07 0.00 0.00 1.91 4.01 0.25 -5.10 117.16 113.17 1mbh n TYR 110 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1mbh n TYR 110 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 2.58 3.36 1.95 2.72 0.00 0.40 -4.98 105.19 111.20 1mbh n GLY 111 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.06 1.32 0.00 1.61 -0.04 -1.26 -3.08 135.00 132.49 1mbh n PRO 112 Ca 0.00 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1mbh n PRO 112 Cb 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.29 0.00 -1.33 0.54 4.76 -1.26 -4.90 118.16 118.26 1mbh n LYS 113 Ca 0.23 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.32 1mbh n LYS 113 Cb 0.62 -0.48 -0.05 0.00 -1.84 0.00 0.00 35.03 33.27 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 -1.70 3.53 0.28 1.97 1.74 -1.18 -4.59 116.66 116.72 1mbh n ARG 114 Ca 0.00 -2.15 0.16 0.00 -0.77 0.00 0.00 57.85 55.10 1mbh n ARG 114 Cb 0.04 -2.66 0.79 0.00 -1.02 0.00 0.00 32.46 29.61 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 4.65 0.00 -0.20 -1.55 4.06 -1.90 -1.40 115.95 119.61 1mbh h TRP 115 Ca 0.76 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.65 1mbh h TRP 115 Cb 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1mbh h TRP 115 CO 1.84 0.06 -0.11 1.03 -3.56 0.00 0.00 178.44 177.70 1mbh h SER 116 N 0.00 0.44 -0.19 -3.49 0.87 -1.92 0.11 113.55 109.38 1mbh h SER 116 Ca -0.00 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 1mbh h SER 116 Cb 0.38 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1mbh h SER 116 CO 0.01 0.77 0.02 0.58 -0.53 0.00 0.00 176.83 177.68 1mbh h VAL 117 N 0.12 1.23 -0.48 2.23 2.07 -1.79 -1.63 116.25 118.00 1mbh h VAL 117 Ca 0.04 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1mbh h VAL 117 Cb 0.61 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1mbh h VAL 117 CO 0.03 0.24 0.30 0.40 0.02 0.00 0.00 177.57 178.56 1mbh h ILE 118 N 0.10 1.09 -0.82 4.57 2.04 -1.28 -2.55 117.51 120.66 1mbh h ILE 118 Ca 0.06 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1mbh h ILE 118 Cb 0.34 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1mbh h ILE 118 CO 0.01 0.11 0.52 0.00 0.00 0.00 0.00 178.15 178.79 1mbh h ALA 119 N 1.19 1.07 -0.16 1.87 0.00 -0.62 0.81 119.26 123.43 1mbh h ALA 119 Ca 0.18 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1mbh h ALA 119 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mbh h ALA 119 CO -0.06 0.34 0.16 0.87 0.00 0.00 0.00 179.25 180.56 1mbh h LYS 120 N 1.02 0.00 0.13 0.00 1.57 -0.87 -1.31 116.57 117.11 1mbh h LYS 120 Ca 0.33 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.75 1mbh h LYS 120 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1mbh h LYS 120 CO -0.11 0.00 -1.94 0.45 -0.57 0.00 0.00 179.45 177.28 1mbh h HIS 121 N 0.00 0.50 0.00 -1.35 3.86 -1.15 -3.39 115.15 113.62 1mbh h HIS 121 Ca 0.08 -0.36 -0.69 0.00 -1.16 0.00 0.00 60.37 58.23 1mbh h HIS 121 Cb 0.40 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1mbh h HIS 121 CO 0.00 1.76 3.28 1.28 0.86 0.00 0.00 177.93 185.11 1mbh n LEU 122 N -3.54 7.18 -4.69 2.43 7.99 0.16 -4.96 117.00 121.59 1mbh n LEU 122 Ca -0.31 -4.11 -0.43 0.00 -0.01 0.00 0.00 56.01 51.16 1mbh n LEU 122 Cb 1.04 -1.59 -0.01 0.00 -0.11 0.00 0.00 43.42 42.75 1mbh n LEU 122 CO 0.43 1.28 0.87 0.29 -1.51 0.00 0.00 177.39 178.75 1mbh n LYS 123 N 5.44 2.06 0.00 3.23 5.02 -1.23 -1.54 118.16 131.13 1mbh n LYS 123 Ca 0.59 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.60 1mbh n LYS 123 Cb 0.34 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 0.84 3.04 3.99 0.72 0.00 -1.26 -5.02 105.19 107.49 1mbh n GLY 124 Ca 0.05 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 1.93 0.37 1.61 1.81 -0.59 -4.85 118.95 119.23 1mbh s ARG 125 Ca 0.00 -1.09 0.06 0.00 -1.72 0.00 0.00 55.73 52.98 1mbh s ARG 125 Cb 0.00 -2.40 -0.02 0.00 -0.45 0.00 0.00 34.95 32.08 1mbh s ARG 125 CO 0.00 -1.23 0.22 0.44 -0.68 0.00 0.00 175.30 174.05 1mbh n ILE 126 N -2.67 0.00 -1.13 1.52 -5.35 -1.26 -4.90 119.36 105.56 1mbh n ILE 126 Ca 0.14 -2.43 -0.34 0.00 -0.27 0.00 0.00 62.75 59.85 1mbh n ILE 126 Cb 0.60 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.74 3.83 1.32 3.28 0.00 -1.26 -2.96 105.19 108.64 1mbh n GLY 127 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 4.03 0.00 -0.21 1.61 4.81 -1.26 -4.88 118.16 122.26 1mbh n LYS 128 Ca 0.65 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 58.00 1mbh n LYS 128 Cb 0.21 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.28 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 1.06 0.18 1.64 4.20 -1.94 0.12 115.11 120.37 1mbh h GLN 129 Ca 0.00 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1mbh h GLN 129 Cb 0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1mbh h GLN 129 CO 0.00 1.04 -0.09 0.00 -0.67 0.00 0.00 178.83 179.11 1mbh h ARG 131 N -0.31 0.49 0.66 0.00 1.12 -1.81 -2.40 114.38 112.12 1mbh h ARG 131 Ca -0.02 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 1mbh h ARG 131 Cb 0.24 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 1mbh h ARG 131 CO 0.04 0.32 -0.49 1.49 -3.11 0.00 0.00 179.97 178.22 1mbh h GLU 132 N 0.50 -1.07 -0.91 0.20 4.81 -0.54 0.10 114.58 117.67 1mbh h GLU 132 Ca 0.20 0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.76 1mbh h GLU 132 Cb 0.09 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 29.56 1mbh h GLU 132 CO -0.13 -0.71 0.26 -0.09 -0.73 0.00 0.00 179.01 177.61 1mbh h ARG 133 N -1.11 0.18 0.01 1.92 9.65 -0.86 -0.07 114.38 124.10 1mbh h ARG 133 Ca -0.09 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1mbh h ARG 133 Cb 0.92 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 1mbh h ARG 133 CO 0.03 0.12 -0.01 2.35 2.80 0.00 0.00 179.97 185.27 1mbh h TRP 134 N 0.19 -0.02 -0.18 2.20 2.91 -0.96 -2.93 115.95 117.15 1mbh h TRP 134 Ca 0.59 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.52 1mbh h TRP 134 Cb 1.24 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.84 1mbh h TRP 134 CO -0.25 0.41 0.12 0.72 -1.03 0.00 0.00 178.44 178.40 1mbh n HIS 135 N -4.89 0.56 0.00 2.65 8.25 0.32 -3.27 115.22 118.83 1mbh n HIS 135 Ca -0.08 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 1mbh n HIS 135 Cb 0.22 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 0.20 0.00 0.00 0.41 3.02 -0.61 -4.97 115.26 113.32 1mbh n ASN 136 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1mbh n ASN 136 Cb 0.71 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 1mbh n ASN 136 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mbh n HIS 137 N -1.84 0.00 -4.18 3.10 8.25 -1.11 -4.92 115.22 114.51 1mbh n HIS 137 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1mbh n HIS 137 Cb 0.00 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.80 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1mbh s LEU 138 N -2.38 2.80 -0.40 2.41 2.34 -1.25 -5.02 118.68 117.17 1mbh s LEU 138 Ca 0.00 -0.38 0.10 0.00 0.06 0.00 0.00 54.13 53.91 1mbh s LEU 138 Cb 0.00 -1.68 0.43 0.00 -0.56 0.00 0.00 46.19 44.37 1mbh s LEU 138 CO 0.00 0.04 1.02 -3.20 -1.06 0.00 0.00 176.35 173.15 1mbh n ASN 139 N 4.37 3.28 -2.56 1.48 5.15 -1.20 -4.39 115.26 121.39 1mbh n ASN 139 Ca -0.18 -3.31 -0.02 0.00 -0.60 0.00 0.00 54.58 50.47 1mbh n ASN 139 Cb 0.51 -0.50 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.27 -1.11 -0.71 1.20 -0.04 -1.26 -5.08 135.00 127.73 1mbh n PRO 140 Ca 0.27 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1mbh n PRO 140 Cb 0.70 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85