#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 3.69 0.03 1.96 -1.09 -1.26 -4.42 121.20 120.10 1mbh s ILE 91 Ca 0.00 -0.01 -0.30 0.00 -2.23 0.00 0.00 60.65 58.11 1mbh s ILE 91 Cb 0.00 -4.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 1mbh s ILE 91 CO 0.00 -1.64 1.10 -0.75 -1.23 0.00 0.00 174.94 172.42 1mbh s LYS 92 N 5.87 4.48 0.00 2.79 2.20 -0.51 -4.99 119.74 129.60 1mbh s LYS 92 Ca 0.46 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1mbh s LYS 92 Cb -0.07 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1mbh s LYS 92 CO 0.08 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1mbh n GLY 93 N 3.08 -0.05 3.69 5.54 0.00 -1.26 -4.86 105.19 111.34 1mbh n GLY 93 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.75 2.30 -3.51 1.61 -0.02 -1.26 -4.97 135.00 127.40 1mbh n PRO 94 Ca 0.00 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 1mbh n PRO 94 Cb 0.00 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 30.83 1mbh n PRO 94 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mbh s TRP 95 N 0.51 3.42 0.23 6.00 0.52 -1.26 -5.09 118.94 123.27 1mbh s TRP 95 Ca 0.73 0.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.37 1mbh s TRP 95 Cb -0.61 -2.38 -0.05 0.00 -1.15 0.00 0.00 33.47 29.28 1mbh s TRP 95 CO 0.42 0.14 0.45 0.95 0.02 0.00 0.00 176.95 178.94 1mbh s THR 96 N 0.79 5.14 0.35 2.01 -4.23 -1.26 -4.98 115.64 113.46 1mbh s THR 96 Ca 0.16 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1mbh s THR 96 Cb -0.13 -3.73 0.31 0.00 1.34 0.00 0.00 72.50 70.28 1mbh s THR 96 CO 0.05 -0.23 1.91 0.50 -0.54 0.00 0.00 174.62 176.31 1mbh h LYS 97 N 1.87 0.74 -0.08 3.99 3.64 -1.99 -1.03 116.57 123.71 1mbh h LYS 97 Ca -0.48 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1mbh h LYS 97 Cb 1.19 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1mbh h LYS 97 CO 0.67 0.49 -0.06 1.49 -2.27 0.00 0.00 179.45 179.77 1mbh h GLU 98 N 0.76 0.19 -0.67 1.90 4.81 -1.98 0.42 114.58 120.01 1mbh h GLU 98 Ca 0.39 -0.09 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1mbh h GLU 98 Cb 0.48 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 1mbh h GLU 98 CO -0.16 0.59 0.24 0.93 -0.73 0.00 0.00 179.01 179.88 1mbh h GLU 99 N -0.22 0.39 -0.26 1.92 5.08 -1.75 0.26 114.58 120.00 1mbh h GLU 99 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1mbh h GLU 99 Cb 0.55 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1mbh h GLU 99 CO 0.02 0.26 0.06 -0.44 -1.00 0.00 0.00 179.01 177.90 1mbh h ASP 100 N 0.40 0.39 -0.81 1.42 3.32 -1.13 -2.17 116.42 117.83 1mbh h ASP 100 Ca 0.35 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1mbh h ASP 100 Cb 0.49 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1mbh h ASP 100 CO -0.36 0.52 0.53 -0.61 -1.72 0.00 0.00 179.24 177.60 1mbh h GLN 101 N 0.24 0.85 -0.21 3.56 -0.00 0.58 -1.08 115.11 119.05 1mbh h GLN 101 Ca 0.08 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1mbh h GLN 101 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1mbh h GLN 101 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 178.83 179.40 1mbh h ARG 102 N 0.88 0.36 -0.35 1.69 2.47 -0.28 -0.75 114.38 118.39 1mbh h ARG 102 Ca 0.35 -0.11 0.04 0.00 -1.26 0.00 0.00 59.98 59.00 1mbh h ARG 102 Cb 0.24 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 1mbh h ARG 102 CO -0.12 0.55 0.12 0.28 0.56 0.00 0.00 179.97 181.36 1mbh h VAL 103 N 0.13 0.90 -0.26 2.04 2.07 -0.73 0.01 116.25 120.40 1mbh h VAL 103 Ca 0.06 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1mbh h VAL 103 Cb 0.39 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1mbh h VAL 103 CO 0.01 0.05 -0.09 0.40 0.02 0.00 0.00 177.57 177.96 1mbh h ILE 104 N 0.27 0.67 -0.20 4.57 2.04 -1.08 0.86 117.51 124.65 1mbh h ILE 104 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1mbh h ILE 104 Cb 0.14 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1mbh h ILE 104 CO -0.16 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 177.38 1mbh h GLU 105 N -0.05 -0.30 -0.58 2.37 5.08 -0.24 -0.60 114.58 120.27 1mbh h GLU 105 Ca 0.13 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1mbh h GLU 105 Cb 0.25 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1mbh h GLU 105 CO -0.29 -0.20 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.44 1mbh h LEU 106 N -0.31 0.99 -0.73 1.33 3.38 -0.58 0.83 115.31 120.21 1mbh h LEU 106 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1mbh h LEU 106 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1mbh h LEU 106 CO -0.38 1.05 0.31 0.58 0.09 0.00 0.00 178.44 180.10 1mbh h VAL 107 N 0.93 1.25 -0.16 1.22 2.07 -0.44 0.03 116.25 121.15 1mbh h VAL 107 Ca 0.17 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1mbh h VAL 107 Cb 0.55 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1mbh h VAL 107 CO 0.03 0.31 -0.53 -0.61 0.02 0.00 0.00 177.57 176.79 1mbh h GLN 108 N 1.04 0.45 0.54 1.57 4.15 -0.85 0.78 115.11 122.80 1mbh h GLN 108 Ca 0.25 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1mbh h GLN 108 Cb 0.18 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1mbh h GLN 108 CO -0.02 0.87 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.26 1mbh h LYS 109 N 0.35 -0.70 0.00 1.69 3.64 -0.23 -3.40 116.57 117.92 1mbh h LYS 109 Ca 0.01 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1mbh h LYS 109 Cb 1.04 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1mbh h LYS 109 CO 0.09 -0.47 -0.78 1.88 -2.27 0.00 0.00 179.45 177.90 1mbh h TYR 110 N -0.98 0.00 0.00 1.91 0.05 -1.12 -3.51 116.97 113.32 1mbh h TYR 110 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1mbh h TYR 110 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1mbh h TYR 110 CO 0.03 0.78 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 1mbh n GLY 111 N 1.54 4.42 3.57 3.88 0.00 0.27 -5.06 105.19 113.80 1mbh n GLY 111 Ca -0.19 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.08 -0.55 -1.00 1.61 0.04 -1.24 -4.26 135.00 126.51 1mbh s PRO 112 Ca 0.00 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 61.58 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 -3.40 0.84 1.63 0.04 0.00 0.00 177.00 176.11 1mbh n LYS 113 N -4.65 -5.52 -2.88 4.56 4.76 -1.26 -4.97 118.16 108.21 1mbh n LYS 113 Ca 0.05 0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 1mbh n LYS 113 Cb 0.57 -5.32 0.01 0.00 -1.84 0.00 0.00 35.03 28.45 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 -3.61 1.07 -1.24 1.97 1.74 -1.26 -5.00 116.66 110.33 1mbh n ARG 114 Ca -0.24 -3.25 -0.35 0.00 -0.77 0.00 0.00 57.85 53.24 1mbh n ARG 114 Cb 0.64 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1mbh n ARG 114 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1mbh n TRP 115 N 0.07 2.07 0.12 -1.55 5.03 -1.26 -2.47 117.44 119.45 1mbh n TRP 115 Ca 0.15 -2.84 0.00 0.00 3.03 0.00 0.00 57.50 57.84 1mbh n TRP 115 Cb 0.75 -2.35 0.00 0.00 -1.03 0.00 0.00 31.31 28.69 1mbh n TRP 115 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 1mbh n SER 116 N 3.47 -1.74 -0.11 -0.99 7.64 -1.26 -4.36 113.62 116.27 1mbh n SER 116 Ca 0.73 0.44 -0.11 0.00 1.01 0.00 0.00 58.87 60.93 1mbh n SER 116 Cb 0.31 1.82 -0.03 0.00 -1.01 0.00 0.00 64.21 65.30 1mbh n SER 116 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1mbh h VAL 117 N 0.00 1.28 -0.26 0.44 2.07 -1.98 -0.78 116.25 117.03 1mbh h VAL 117 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1mbh h VAL 117 Cb 0.00 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1mbh h VAL 117 CO 0.00 0.36 0.16 0.40 0.02 0.00 0.00 177.57 178.51 1mbh h ILE 118 N 0.37 1.08 -0.67 4.57 2.04 -1.83 -2.70 117.51 120.37 1mbh h ILE 118 Ca 0.08 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1mbh h ILE 118 Cb 0.56 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1mbh h ILE 118 CO 0.03 0.08 0.43 0.00 0.00 0.00 0.00 178.15 178.69 1mbh h ALA 119 N 1.07 0.87 -0.11 1.87 0.00 -1.76 0.73 119.26 121.93 1mbh h ALA 119 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1mbh h ALA 119 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1mbh h ALA 119 CO -0.02 0.23 0.09 0.87 0.00 0.00 0.00 179.25 180.42 1mbh h LYS 120 N 0.87 0.00 0.15 0.00 1.57 -0.84 -2.28 116.57 116.03 1mbh h LYS 120 Ca 0.26 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.70 1mbh h LYS 120 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1mbh h LYS 120 CO -0.08 0.00 -1.74 0.45 -0.57 0.00 0.00 179.45 177.51 1mbh h HIS 121 N 0.00 0.57 -0.77 -1.35 3.86 -0.99 -3.40 115.15 113.07 1mbh h HIS 121 Ca 0.05 -0.41 -0.67 0.00 -1.16 0.00 0.00 60.37 58.18 1mbh h HIS 121 Cb 0.23 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.60 1mbh h HIS 121 CO 0.00 1.68 2.26 1.28 0.86 0.00 0.00 177.93 184.01 1mbh n LEU 122 N -3.66 5.05 -4.57 2.43 7.99 0.16 -4.90 117.00 119.49 1mbh n LEU 122 Ca -0.27 -3.91 -0.21 0.00 -0.01 0.00 0.00 56.01 51.60 1mbh n LEU 122 Cb 1.02 -1.74 -0.07 0.00 -0.11 0.00 0.00 43.42 42.52 1mbh n LEU 122 CO 0.45 0.17 1.29 -0.54 -1.51 0.00 0.00 177.39 177.26 1mbh s LYS 123 N 4.21 2.06 0.00 3.23 1.02 -1.26 -1.42 119.74 127.59 1mbh s LYS 123 Ca 0.54 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1mbh s LYS 123 Cb 0.05 -4.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.36 1mbh s LYS 123 CO 0.07 -4.09 0.00 0.41 -0.92 0.00 0.00 175.35 170.82 1mbh n GLY 124 N 6.59 0.36 3.31 -3.33 0.00 -1.26 -4.98 105.19 105.88 1mbh n GLY 124 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 3.24 0.98 1.61 1.81 -0.51 -1.42 118.95 124.67 1mbh s ARG 125 Ca 0.00 -0.77 -0.16 0.00 -1.72 0.00 0.00 55.73 53.08 1mbh s ARG 125 Cb 0.00 -2.50 0.22 0.00 -0.45 0.00 0.00 34.95 32.23 1mbh s ARG 125 CO 0.00 0.19 1.33 0.44 -0.68 0.00 0.00 175.30 176.59 1mbh n ILE 126 N 3.55 0.00 -1.18 1.52 -5.35 -1.26 -4.64 119.36 112.00 1mbh n ILE 126 Ca -0.19 -1.01 -0.34 0.00 -0.27 0.00 0.00 62.75 60.95 1mbh n ILE 126 Cb 0.53 -1.48 -0.04 0.00 -1.74 0.00 0.00 39.64 36.91 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 -3.75 3.94 1.93 3.28 0.00 -1.26 -3.39 105.19 105.94 1mbh n GLY 127 Ca 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 3.61 0.00 -0.15 1.61 4.81 -1.26 -4.89 118.16 121.89 1mbh n LYS 128 Ca 0.70 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 58.11 1mbh n LYS 128 Cb 0.26 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.37 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 0.22 -0.53 1.64 4.20 -1.93 -0.34 115.11 118.38 1mbh h GLN 129 Ca 0.00 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.79 1mbh h GLN 129 Cb 0.00 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.66 1mbh h GLN 129 CO 0.00 0.15 0.12 0.00 -0.67 0.00 0.00 178.83 178.43 1mbh h ARG 131 N 0.26 -0.19 0.47 0.00 1.12 -1.43 -1.60 114.38 113.01 1mbh h ARG 131 Ca 0.27 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.13 1mbh h ARG 131 Cb 0.36 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 1mbh h ARG 131 CO -0.33 -0.12 -0.32 0.93 -3.11 0.00 0.00 179.97 177.01 1mbh h GLU 132 N -0.19 -0.72 -0.96 0.20 3.07 -0.51 0.14 114.58 115.60 1mbh h GLU 132 Ca 0.06 0.05 0.31 0.00 -0.50 0.00 0.00 59.36 59.28 1mbh h GLU 132 Cb 0.28 0.16 -0.18 0.00 -0.84 0.00 0.00 28.75 28.18 1mbh h GLU 132 CO -0.17 -0.48 0.17 -2.13 -1.40 0.00 0.00 179.01 175.01 1mbh n ARG 133 N -4.37 -0.07 0.13 2.33 3.00 0.08 -1.59 116.66 116.16 1mbh n ARG 133 Ca -0.09 1.41 -0.06 0.00 -0.00 0.00 0.00 57.85 59.11 1mbh n ARG 133 Cb 0.32 -2.33 -0.03 0.00 0.00 0.00 0.00 32.46 30.43 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 -0.35 0.00 -0.14 2.91 -0.97 -3.07 115.95 114.33 1mbh h TRP 134 Ca 0.66 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.66 1mbh h TRP 134 Cb 1.50 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 30.27 1mbh h TRP 134 CO -0.34 -0.22 -0.01 0.72 -1.03 0.00 0.00 178.44 177.56 1mbh n HIS 135 N -3.86 0.00 0.11 2.65 8.25 0.01 -2.35 115.22 120.02 1mbh n HIS 135 Ca -0.05 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 1mbh n HIS 135 Cb 0.15 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 1.53 0.03 -2.78 0.41 3.02 -0.76 -4.93 115.26 111.78 1mbh n ASN 136 Ca 0.01 0.38 -0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1mbh n ASN 136 Cb 0.50 0.25 0.07 0.00 -0.61 0.00 0.00 39.78 39.99 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 -3.36 -1.43 -3.15 3.10 1.44 -1.16 -5.07 115.22 105.60 1mbh n HIS 137 Ca 0.00 -2.47 0.05 0.00 -2.01 0.00 0.00 57.72 53.29 1mbh n HIS 137 Cb 0.01 0.88 -0.01 0.00 0.12 0.00 0.00 29.99 31.00 1mbh n HIS 137 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1mbh s LEU 138 N -2.79 -0.77 -0.45 2.39 0.20 -0.99 -4.93 118.68 111.33 1mbh s LEU 138 Ca 0.26 0.23 0.04 0.00 0.69 0.00 0.00 54.13 55.35 1mbh s LEU 138 Cb 0.37 1.55 0.26 0.00 -0.43 0.00 0.00 46.19 47.94 1mbh s LEU 138 CO -0.05 -0.14 1.01 -3.20 -0.29 0.00 0.00 176.35 173.68 1mbh n ASN 139 N 5.31 -2.45 0.00 3.68 4.05 -1.26 -4.49 115.26 120.10 1mbh n ASN 139 Ca 0.03 -3.03 0.00 0.00 0.45 0.00 0.00 54.58 52.03 1mbh n ASN 139 Cb 0.55 1.62 0.00 0.00 1.23 0.00 0.00 39.78 43.18 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1mbh n PRO 140 N 1.37 0.00 -0.01 1.20 -0.04 -1.26 -5.22 135.00 131.04 1mbh n PRO 140 Ca 0.06 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1mbh n PRO 140 Cb 0.66 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1mbh n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85