#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 4.54 -0.35 1.96 -1.09 -1.26 -4.59 121.20 120.41 1mbh s ILE 91 Ca 0.00 1.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.64 1mbh s ILE 91 Cb 0.00 -3.67 0.16 0.00 -1.58 0.00 0.00 42.46 37.37 1mbh s ILE 91 CO 0.00 -0.50 0.43 -0.75 -1.23 0.00 0.00 174.94 172.89 1mbh s LYS 92 N -3.65 0.60 0.00 2.79 2.47 -1.26 -5.07 119.74 115.62 1mbh s LYS 92 Ca 0.58 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 1mbh s LYS 92 Cb -0.10 -0.44 0.00 0.00 -1.46 0.00 0.00 37.83 35.84 1mbh s LYS 92 CO 0.24 -1.14 0.91 0.41 0.16 0.00 0.00 175.35 175.93 1mbh n GLY 93 N 4.65 -2.55 3.61 5.54 0.00 -1.26 -4.45 105.19 110.73 1mbh n GLY 93 Ca 0.08 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1mbh n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mbh s PRO 94 N -2.64 3.50 0.52 1.61 0.04 -1.26 -4.97 135.00 131.80 1mbh s PRO 94 Ca 0.00 1.52 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1mbh s PRO 94 Cb 0.00 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1mbh s PRO 94 CO 0.00 -1.65 1.20 -1.58 0.04 0.00 0.00 177.00 175.01 1mbh s TRP 95 N 6.27 2.64 0.15 0.56 0.52 -1.26 -5.04 118.94 122.78 1mbh s TRP 95 Ca 0.77 1.50 0.03 0.00 0.02 0.00 0.00 56.10 58.43 1mbh s TRP 95 Cb -0.23 -3.46 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 1mbh s TRP 95 CO 0.33 -1.91 0.23 0.95 0.02 0.00 0.00 176.95 176.57 1mbh s THR 96 N -1.55 5.04 0.34 2.01 -4.23 -1.26 -5.01 115.64 110.98 1mbh s THR 96 Ca 0.69 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1mbh s THR 96 Cb -0.30 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 70.17 1mbh s THR 96 CO 0.35 -0.09 1.95 0.50 -0.54 0.00 0.00 174.62 176.79 1mbh h LYS 97 N 2.24 0.74 -0.46 3.99 3.64 -1.99 -0.44 116.57 124.29 1mbh h LYS 97 Ca -0.48 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 1mbh h LYS 97 Cb 1.20 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1mbh h LYS 97 CO 0.67 0.57 0.17 1.49 -2.27 0.00 0.00 179.45 180.08 1mbh h GLU 98 N 0.74 0.69 -0.53 1.90 4.81 -1.99 -0.24 114.58 119.97 1mbh h GLU 98 Ca 0.19 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1mbh h GLU 98 Cb 0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1mbh h GLU 98 CO -0.03 0.64 -0.01 1.49 -0.73 0.00 0.00 179.01 180.37 1mbh h GLU 99 N 0.60 0.94 -0.57 1.92 4.81 -1.82 -1.58 114.58 118.89 1mbh h GLU 99 Ca 0.15 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1mbh h GLU 99 Cb 0.21 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1mbh h GLU 99 CO -0.01 0.96 0.29 -0.44 -0.73 0.00 0.00 179.01 179.08 1mbh h ASP 100 N 0.81 0.42 -0.62 1.04 5.19 -0.82 -0.76 116.42 121.68 1mbh h ASP 100 Ca 0.15 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1mbh h ASP 100 Cb 0.55 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1mbh h ASP 100 CO 0.03 0.28 0.39 -0.61 -3.12 0.00 0.00 179.24 176.21 1mbh h GLN 101 N 0.56 0.75 -0.07 3.56 5.75 -0.71 -1.10 115.11 123.85 1mbh h GLN 101 Ca 0.25 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.73 1mbh h GLN 101 Cb 0.16 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1mbh h GLN 101 CO -0.17 0.50 -0.07 0.00 -2.65 0.00 0.00 178.83 176.44 1mbh h ARG 102 N 0.78 -0.08 -0.29 1.69 3.08 -0.36 -2.14 114.38 117.05 1mbh h ARG 102 Ca 0.24 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.35 1mbh h ARG 102 Cb -0.01 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1mbh h ARG 102 CO -0.09 -0.06 -0.04 0.28 -1.07 0.00 0.00 179.97 179.00 1mbh h VAL 103 N -0.09 0.75 -0.56 2.04 2.07 -0.72 0.73 116.25 120.48 1mbh h VAL 103 Ca 0.05 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.67 1mbh h VAL 103 Cb 0.16 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1mbh h VAL 103 CO -0.12 0.01 0.05 0.40 0.02 0.00 0.00 177.57 177.93 1mbh h ILE 104 N 0.04 0.60 0.07 4.57 2.04 -0.85 0.30 117.51 124.27 1mbh h ILE 104 Ca 0.14 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1mbh h ILE 104 Cb 0.20 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1mbh h ILE 104 CO -0.26 0.03 -0.03 -0.08 0.00 0.00 0.00 178.15 177.81 1mbh h GLU 105 N 0.17 -0.09 -0.31 2.37 4.22 -0.74 -0.42 114.58 119.77 1mbh h GLU 105 Ca 0.29 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.78 1mbh h GLU 105 Cb 0.44 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1mbh h GLU 105 CO -0.43 0.29 0.21 -0.07 -2.18 0.00 0.00 179.01 176.84 1mbh h LEU 106 N -0.48 0.21 -0.06 1.64 3.38 -0.43 0.97 115.31 120.54 1mbh h LEU 106 Ca -0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1mbh h LEU 106 Cb 0.42 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1mbh h LEU 106 CO 0.01 0.14 -0.36 0.58 0.09 0.00 0.00 178.44 178.91 1mbh h VAL 107 N 0.24 1.43 -0.79 1.22 2.07 -0.31 0.39 116.25 120.51 1mbh h VAL 107 Ca 0.14 -1.79 0.12 0.00 0.82 0.00 0.00 66.70 65.98 1mbh h VAL 107 Cb 0.23 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1mbh h VAL 107 CO -0.03 0.52 0.52 -0.61 0.02 0.00 0.00 177.57 177.99 1mbh h GLN 108 N -0.17 0.58 0.29 1.57 4.15 0.08 0.34 115.11 121.96 1mbh h GLN 108 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1mbh h GLN 108 Cb 1.02 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1mbh h GLN 108 CO 0.07 0.39 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.00 1mbh h LYS 109 N 0.60 -0.38 0.00 1.69 3.64 -0.74 -3.43 116.57 117.95 1mbh h LYS 109 Ca 0.38 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1mbh h LYS 109 Cb 0.64 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1mbh h LYS 109 CO -0.14 -0.25 -0.05 1.88 -2.27 0.00 0.00 179.45 178.62 1mbh h TYR 110 N -1.02 0.00 0.00 1.91 0.05 -0.71 -3.51 116.97 113.69 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 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1mbh n GLY 111 N 1.74 2.33 3.54 3.88 0.00 0.12 -5.00 105.19 111.80 1mbh n GLY 111 Ca -0.01 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.81 -0.83 -1.77 1.61 0.04 -1.26 -3.70 135.00 127.28 1mbh s PRO 112 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1mbh s PRO 112 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1mbh s PRO 112 CO 0.00 -3.58 0.00 1.63 0.04 0.00 0.00 177.00 175.09 1mbh n LYS 113 N -4.76 -1.17 -2.76 4.56 4.76 -1.26 -4.83 118.16 112.70 1mbh n LYS 113 Ca 0.06 1.08 -0.04 0.00 -2.87 0.00 0.00 58.31 56.55 1mbh n LYS 113 Cb 0.57 -5.30 0.05 0.00 -1.84 0.00 0.00 35.03 28.51 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 -2.52 1.48 0.13 1.97 1.74 -1.24 -4.90 116.66 113.32 1mbh n ARG 114 Ca -0.17 -3.26 0.12 0.00 -0.77 0.00 0.00 57.85 53.78 1mbh n ARG 114 Cb 0.55 -1.33 0.49 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.44 0.86 0.17 -1.55 7.02 -1.26 -2.85 117.44 119.39 1mbh n TRP 115 Ca 0.06 0.33 -0.14 0.00 -1.02 0.00 0.00 57.50 56.73 1mbh n TRP 115 Cb 0.81 -1.03 -0.08 0.00 -2.42 0.00 0.00 31.31 28.59 1mbh n TRP 115 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1mbh h SER 116 N 0.00 -0.32 -0.28 -0.99 0.87 -1.94 0.12 113.55 111.01 1mbh h SER 116 Ca 0.00 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1mbh h SER 116 Cb 0.40 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1mbh h SER 116 CO 0.00 -0.15 0.06 0.58 -0.53 0.00 0.00 176.83 176.79 1mbh h VAL 117 N -0.47 1.22 -0.89 2.23 2.07 -1.95 -2.30 116.25 116.15 1mbh h VAL 117 Ca -0.04 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1mbh h VAL 117 Cb 0.36 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1mbh h VAL 117 CO 0.06 0.24 0.55 0.40 0.02 0.00 0.00 177.57 178.84 1mbh h ILE 118 N 0.28 1.24 -0.46 4.57 2.04 -1.50 -2.34 117.51 121.35 1mbh h ILE 118 Ca 0.09 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1mbh h ILE 118 Cb 0.30 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1mbh h ILE 118 CO 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 178.34 1mbh h ALA 119 N 1.38 1.03 0.00 1.87 0.00 -0.57 -1.20 119.26 121.76 1mbh h ALA 119 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mbh h ALA 119 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1mbh h ALA 119 CO -0.06 0.59 -0.02 0.87 0.00 0.00 0.00 179.25 180.63 1mbh h LYS 120 N 0.73 0.00 0.03 0.00 1.57 -0.85 -2.49 116.57 115.55 1mbh h LYS 120 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.75 1mbh h LYS 120 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1mbh h LYS 120 CO 0.03 0.02 -0.87 0.45 -0.57 0.00 0.00 179.45 178.52 1mbh h HIS 121 N 0.00 0.10 -0.33 -1.35 3.86 -1.35 -3.37 115.15 112.71 1mbh h HIS 121 Ca -0.00 -0.07 -0.71 0.00 -1.16 0.00 0.00 60.37 58.42 1mbh h HIS 121 Cb 0.05 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 1mbh h HIS 121 CO 0.00 1.34 3.02 1.28 0.86 0.00 0.00 177.93 184.43 1mbh n LEU 122 N -4.38 7.24 -4.63 2.43 4.77 -0.50 -4.96 117.00 116.97 1mbh n LEU 122 Ca -0.23 -4.32 -0.53 0.00 -0.03 0.00 0.00 56.01 50.90 1mbh n LEU 122 Cb 0.66 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.10 1mbh n LEU 122 CO 0.29 1.39 1.04 0.29 -1.33 0.00 0.00 177.39 179.07 1mbh n LYS 123 N 4.97 1.27 0.00 3.23 5.02 -1.18 -1.23 118.16 130.24 1mbh n LYS 123 Ca 0.55 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 1mbh n LYS 123 Cb 0.35 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 3.04 1.86 3.92 0.72 0.00 -1.26 -4.98 105.19 108.49 1mbh n GLY 124 Ca 0.20 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 2.37 0.31 1.61 1.81 -0.37 -4.78 118.95 119.90 1mbh s ARG 125 Ca 0.00 -0.08 0.07 0.00 -1.72 0.00 0.00 55.73 54.00 1mbh s ARG 125 Cb 0.00 -2.14 -0.03 0.00 -0.45 0.00 0.00 34.95 32.33 1mbh s ARG 125 CO 0.00 -1.16 0.25 0.44 -0.68 0.00 0.00 175.30 174.15 1mbh n ILE 126 N -2.92 0.00 -1.13 1.52 -5.35 -1.26 -4.85 119.36 105.37 1mbh n ILE 126 Ca 0.07 -2.22 -0.32 0.00 -0.27 0.00 0.00 62.75 60.01 1mbh n ILE 126 Cb 0.60 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.56 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 -0.58 3.84 1.37 3.28 0.00 -1.26 -2.96 105.19 108.89 1mbh n GLY 127 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 3.64 0.00 0.20 1.61 3.00 -1.26 -4.82 118.16 120.53 1mbh n LYS 128 Ca 0.67 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.87 1mbh n LYS 128 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.23 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1mbh h GLN 129 N 0.00 -0.55 -0.61 1.64 4.20 -1.94 0.59 115.11 118.43 1mbh h GLN 129 Ca 0.00 0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1mbh h GLN 129 Cb 0.00 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1mbh h GLN 129 CO 0.00 -0.28 0.37 0.00 -0.67 0.00 0.00 178.83 178.25 1mbh h ARG 131 N 0.72 -0.57 -0.57 0.00 2.43 -1.78 -2.12 114.38 112.48 1mbh h ARG 131 Ca 0.25 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1mbh h ARG 131 Cb 0.05 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1mbh h ARG 131 CO -0.12 -0.38 0.36 1.49 -1.51 0.00 0.00 179.97 179.81 1mbh h GLU 132 N -0.59 0.76 -0.90 0.20 4.81 -0.60 0.28 114.58 118.55 1mbh h GLU 132 Ca -0.00 -0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1mbh h GLU 132 Cb 0.56 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1mbh h GLU 132 CO -0.09 0.53 0.58 -0.09 -0.73 0.00 0.00 179.01 179.21 1mbh h ARG 133 N 0.77 0.58 0.00 1.92 9.65 -0.65 -3.13 114.38 123.52 1mbh h ARG 133 Ca 0.21 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1mbh h ARG 133 Cb -0.05 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1mbh h ARG 133 CO -0.04 0.38 -0.18 2.35 2.80 0.00 0.00 179.97 185.28 1mbh h TRP 134 N 0.60 0.00 0.00 2.20 2.91 -0.65 -3.26 115.95 117.75 1mbh h TRP 134 Ca 0.46 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.48 1mbh h TRP 134 Cb 0.88 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1mbh h TRP 134 CO -0.00 0.00 0.00 0.72 -1.03 0.00 0.00 178.44 178.13 1mbh n HIS 135 N -4.49 0.00 0.18 2.65 8.25 0.00 -2.95 115.22 118.86 1mbh n HIS 135 Ca -0.03 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 1mbh n HIS 135 Cb 0.10 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 1.41 -1.85 0.00 0.41 3.02 -1.19 -4.96 115.26 112.10 1mbh n ASN 136 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1mbh n ASN 136 Cb 0.41 1.86 0.00 0.00 -0.61 0.00 0.00 39.78 41.44 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 -3.47 0.00 -3.98 3.10 8.25 -1.23 -4.86 115.22 113.03 1mbh n HIS 137 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1mbh n HIS 137 Cb 0.00 -0.41 -0.15 0.00 1.12 0.00 0.00 29.99 30.55 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 -4.06 3.95 -0.11 2.41 2.34 -1.19 -4.97 118.68 117.04 1mbh s LEU 138 Ca 0.00 -1.85 0.08 0.00 0.06 0.00 0.00 54.13 52.43 1mbh s LEU 138 Cb 0.00 -1.46 -0.24 0.00 -0.56 0.00 0.00 46.19 43.93 1mbh s LEU 138 CO 0.00 -0.34 0.39 -3.20 -1.06 0.00 0.00 176.35 172.15 1mbh n ASN 139 N 4.41 1.09 -4.70 1.48 4.05 -1.15 -4.56 115.26 115.87 1mbh n ASN 139 Ca -0.02 0.23 -0.42 0.00 0.45 0.00 0.00 54.58 54.83 1mbh n ASN 139 Cb 0.42 -0.06 -0.03 0.00 1.23 0.00 0.00 39.78 41.34 1mbh n ASN 139 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1mbh s PRO 140 N -2.56 4.18 0.00 1.20 0.02 -1.26 -5.01 135.00 131.57 1mbh s PRO 140 Ca -0.13 2.44 0.31 0.00 0.02 0.00 0.00 61.00 63.65 1mbh s PRO 140 Cb 0.07 -3.36 1.84 0.00 0.02 0.00 0.00 34.50 33.08 1mbh s PRO 140 CO 0.79 -0.72 2.17 0.39 -0.33 0.00 0.00 177.00 179.31