#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbg s ILE 91 N 0.00 2.87 0.00 1.96 -1.09 -1.26 -5.04 121.20 118.63 1mbg s ILE 91 Ca 0.00 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1mbg s ILE 91 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 1mbg s ILE 91 CO 0.00 -0.09 0.00 2.29 -1.23 0.00 0.00 174.94 175.91 1mbg n LYS 92 N -1.23 0.70 -0.45 2.79 2.85 -1.26 -5.04 118.16 116.51 1mbg n LYS 92 Ca 0.11 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.09 1mbg n LYS 92 Cb 0.49 0.00 0.27 0.00 -0.65 0.00 0.00 35.03 35.14 1mbg n LYS 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1mbg s GLY 93 N -1.49 1.51 0.77 2.58 0.00 -1.26 -4.94 107.32 104.49 1mbg s GLY 93 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 1mbg s GLY 93 CO 0.00 0.55 0.86 -1.05 0.00 0.00 0.00 173.10 173.47 1mbg n PRO 94 N -5.14 0.30 -1.74 2.90 -0.02 -1.26 -4.92 135.00 125.12 1mbg n PRO 94 Ca 0.03 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 1mbg n PRO 94 Cb 0.55 -2.14 0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1mbg n PRO 94 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mbg n TRP 95 N -2.78 2.47 -4.29 6.00 7.02 -1.26 -5.03 117.44 119.57 1mbg n TRP 95 Ca 0.12 0.45 -0.23 0.00 -1.02 0.00 0.00 57.50 56.81 1mbg n TRP 95 Cb 0.50 -2.42 -0.07 0.00 -2.42 0.00 0.00 31.31 26.90 1mbg n TRP 95 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1mbg s THR 96 N -1.22 3.44 0.28 -0.99 -4.23 -1.26 -5.01 115.64 106.65 1mbg s THR 96 Ca 0.64 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1mbg s THR 96 Cb -0.45 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 70.83 1mbg s THR 96 CO 0.56 -0.35 1.92 0.50 -0.54 0.00 0.00 174.62 176.71 1mbg h LYS 97 N 1.97 1.13 -0.23 3.99 3.64 -1.98 0.29 116.57 125.38 1mbg h LYS 97 Ca -0.44 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1mbg h LYS 97 Cb 1.25 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1mbg h LYS 97 CO 0.60 0.75 -0.01 1.49 -2.27 0.00 0.00 179.45 180.01 1mbg h GLU 98 N 1.17 0.42 -0.38 1.90 4.81 -1.98 0.20 114.58 120.72 1mbg h GLU 98 Ca 0.37 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1mbg h GLU 98 Cb 0.02 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1mbg h GLU 98 CO -0.12 0.61 0.14 1.49 -0.73 0.00 0.00 179.01 180.41 1mbg h GLU 99 N 0.18 0.30 -0.76 1.92 4.81 -1.82 -1.39 114.58 117.81 1mbg h GLU 99 Ca 0.06 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1mbg h GLU 99 Cb 0.43 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1mbg h GLU 99 CO 0.01 0.20 0.29 -0.44 -0.73 0.00 0.00 179.01 178.35 1mbg h ASP 100 N 0.31 1.05 -0.78 1.04 3.32 -0.80 -2.66 116.42 117.91 1mbg h ASP 100 Ca 0.17 -0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.17 1mbg h ASP 100 Cb 0.14 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.33 1mbg h ASP 100 CO -0.17 0.94 0.39 -0.61 -1.72 0.00 0.00 179.24 178.08 1mbg h GLN 101 N 1.11 0.61 0.18 3.56 5.75 0.46 0.39 115.11 127.16 1mbg h GLN 101 Ca 0.25 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1mbg h GLN 101 Cb 0.22 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1mbg h GLN 101 CO -0.02 0.40 -0.10 0.00 -2.65 0.00 0.00 178.83 176.46 1mbg h ARG 102 N 0.62 -0.26 -0.38 1.69 3.08 -1.02 -1.22 114.38 116.90 1mbg h ARG 102 Ca 0.40 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.51 1mbg h ARG 102 Cb 0.48 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1mbg h ARG 102 CO -0.31 -0.17 0.15 0.28 -1.07 0.00 0.00 179.97 178.85 1mbg h VAL 103 N -0.27 0.92 -0.02 2.04 2.07 -1.19 0.38 116.25 120.18 1mbg h VAL 103 Ca -0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1mbg h VAL 103 Cb 0.22 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1mbg h VAL 103 CO 0.03 0.06 -0.26 0.40 0.02 0.00 0.00 177.57 177.82 1mbg h ILE 104 N 0.32 0.41 0.20 4.57 2.04 -0.75 0.13 117.51 124.43 1mbg h ILE 104 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1mbg h ILE 104 Cb 0.13 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1mbg h ILE 104 CO -0.16 0.00 -0.16 -0.08 0.00 0.00 0.00 178.15 177.76 1mbg h GLU 105 N -0.38 -0.35 -0.94 2.37 4.81 -0.84 -1.02 114.58 118.23 1mbg h GLU 105 Ca 0.07 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1mbg h GLU 105 Cb 0.48 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1mbg h GLU 105 CO -0.24 -0.23 0.60 -0.07 -0.73 0.00 0.00 179.01 178.33 1mbg h LEU 106 N -0.37 0.98 -0.99 1.64 3.38 -0.68 0.26 115.31 119.54 1mbg h LEU 106 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1mbg h LEU 106 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1mbg h LEU 106 CO -0.01 0.65 -0.20 0.58 0.09 0.00 0.00 178.44 179.54 1mbg h VAL 107 N 1.13 1.25 -0.00 1.22 2.07 -0.50 0.91 116.25 122.33 1mbg h VAL 107 Ca 0.39 -1.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 1mbg h VAL 107 Cb 0.09 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1mbg h VAL 107 CO -0.15 0.38 -0.69 -0.61 0.02 0.00 0.00 177.57 176.52 1mbg h GLN 108 N 0.44 0.01 0.07 1.57 4.15 0.21 0.94 115.11 122.50 1mbg h GLN 108 Ca 0.07 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1mbg h GLN 108 Cb 0.61 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1mbg h GLN 108 CO 0.04 0.69 -0.03 0.87 -1.93 0.00 0.00 178.83 178.47 1mbg h LYS 109 N 0.01 -0.09 0.14 1.69 1.57 0.05 -3.39 116.57 116.54 1mbg h LYS 109 Ca -0.01 0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 1mbg h LYS 109 Cb 1.22 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.55 1mbg h LYS 109 CO 0.09 -0.06 -1.30 1.88 -0.57 0.00 0.00 179.45 179.49 1mbg h TYR 110 N -0.48 0.53 0.00 -1.35 0.05 -0.99 -3.51 116.97 111.23 1mbg h TYR 110 Ca -0.01 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1mbg h TYR 110 Cb 0.07 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1mbg h TYR 110 CO 0.02 1.32 0.00 0.41 -1.05 0.00 0.00 178.16 178.86 1mbg n GLY 111 N 1.57 1.65 3.44 3.88 0.00 0.32 -5.05 105.19 110.99 1mbg n GLY 111 Ca -0.10 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1mbg n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbg n PRO 112 N -0.09 -2.19 0.00 1.61 -0.04 -1.25 -4.57 135.00 128.47 1mbg n PRO 112 Ca 0.00 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1mbg n PRO 112 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1mbg n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbg n LYS 113 N -4.30 0.00 -3.84 0.54 5.02 -1.26 -4.93 118.16 109.40 1mbg n LYS 113 Ca 0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 1mbg n LYS 113 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.59 1mbg n LYS 113 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1mbg n ARG 114 N 0.00 -4.99 0.28 1.97 1.74 -1.26 -4.85 116.66 109.55 1mbg n ARG 114 Ca 0.00 0.58 0.16 0.00 -0.77 0.00 0.00 57.85 57.82 1mbg n ARG 114 Cb 0.00 -5.26 0.78 0.00 -1.02 0.00 0.00 32.46 26.96 1mbg n ARG 114 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1mbg h TRP 115 N -1.96 0.00 -0.66 -1.55 4.06 -1.92 -2.01 115.95 111.92 1mbg h TRP 115 Ca -0.60 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.27 1mbg h TRP 115 Cb 1.37 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.50 1mbg h TRP 115 CO 0.52 0.06 0.10 0.77 -3.56 0.00 0.00 178.44 176.34 1mbg h SER 116 N 0.00 1.05 -0.07 -3.49 0.02 -1.93 0.11 113.55 109.24 1mbg h SER 116 Ca -0.00 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1mbg h SER 116 Cb 0.39 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1mbg h SER 116 CO 0.01 1.05 -0.17 0.58 -1.14 0.00 0.00 176.83 177.15 1mbg h VAL 117 N 1.01 1.41 -0.59 2.27 2.07 -1.75 -2.82 116.25 117.85 1mbg h VAL 117 Ca 0.20 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1mbg h VAL 117 Cb 0.45 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1mbg h VAL 117 CO 0.01 0.42 0.38 0.40 0.02 0.00 0.00 177.57 178.81 1mbg h ILE 118 N -0.24 1.16 -0.99 4.57 2.04 -1.37 -2.53 117.51 120.16 1mbg h ILE 118 Ca -0.00 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1mbg h ILE 118 Cb 0.77 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1mbg h ILE 118 CO 0.04 0.16 0.65 0.00 0.00 0.00 0.00 178.15 178.99 1mbg h ALA 119 N 1.20 1.36 -0.07 1.87 0.00 -0.80 0.64 119.26 123.46 1mbg h ALA 119 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1mbg h ALA 119 Cb -0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1mbg h ALA 119 CO -0.04 0.54 0.07 0.87 0.00 0.00 0.00 179.25 180.69 1mbg h LYS 120 N 1.25 0.00 0.11 0.00 1.57 -1.18 -2.17 116.57 116.15 1mbg h LYS 120 Ca 0.39 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.82 1mbg h LYS 120 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1mbg h LYS 120 CO -0.12 0.00 -1.93 0.72 -0.57 0.00 0.00 179.45 177.54 1mbg n HIS 121 N -4.03 1.24 -2.06 -1.35 8.25 -0.40 -4.47 115.22 112.39 1mbg n HIS 121 Ca -0.01 0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 57.31 1mbg n HIS 121 Cb 0.17 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.12 1mbg n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1mbg n LEU 122 N -3.57 6.04 -4.43 2.41 7.99 0.08 -4.88 117.00 120.64 1mbg n LEU 122 Ca -0.32 -4.03 -0.32 0.00 -0.01 0.00 0.00 56.01 51.33 1mbg n LEU 122 Cb 1.01 -1.69 -0.05 0.00 -0.11 0.00 0.00 43.42 42.58 1mbg n LEU 122 CO 0.41 0.69 1.66 0.29 -1.51 0.00 0.00 177.39 178.92 1mbg n LYS 123 N 7.04 1.78 0.00 3.23 5.02 -1.25 -2.13 118.16 131.85 1mbg n LYS 123 Ca 0.51 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 1mbg n LYS 123 Cb 0.42 -3.59 0.00 0.00 -0.02 0.00 0.00 35.03 31.84 1mbg n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mbg n GLY 124 N 5.54 0.22 3.10 0.72 0.00 -1.26 -5.13 105.19 108.38 1mbg n GLY 124 Ca 0.46 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1mbg n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mbg s ARG 125 N 0.00 2.18 0.98 1.61 1.81 -0.91 -4.38 118.95 120.24 1mbg s ARG 125 Ca 0.00 -0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 53.29 1mbg s ARG 125 Cb 0.00 -1.72 0.18 0.00 -0.45 0.00 0.00 34.95 32.95 1mbg s ARG 125 CO 0.00 0.09 1.16 0.96 -0.68 0.00 0.00 175.30 176.82 1mbg s ILE 126 N 0.54 1.93 0.33 1.52 -4.36 -1.26 -4.70 121.20 115.19 1mbg s ILE 126 Ca -0.16 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.30 1mbg s ILE 126 Cb -0.17 -2.73 0.31 0.00 1.25 0.00 0.00 42.46 41.13 1mbg s ILE 126 CO 0.06 0.00 1.82 1.23 0.24 0.00 0.00 174.94 178.29 1mbg h GLY 127 N -1.73 1.50 0.92 6.27 0.00 -1.93 -0.81 103.07 107.28 1mbg h GLY 127 Ca -0.49 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1mbg h GLY 127 CO 0.53 0.03 -0.09 1.70 0.00 0.00 0.00 176.54 178.71 1mbg h LYS 128 N 0.75 -0.20 -0.52 4.80 3.64 -1.92 0.60 116.57 123.71 1mbg h LYS 128 Ca 0.52 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.84 1mbg h LYS 128 Cb 0.81 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1mbg h LYS 128 CO -0.29 -0.13 0.06 1.96 -2.27 0.00 0.00 179.45 178.78 1mbg h GLN 129 N -0.21 0.88 -0.70 1.90 1.08 -1.67 0.15 115.11 116.54 1mbg h GLN 129 Ca -0.00 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1mbg h GLN 129 Cb 0.19 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1mbg h GLN 129 CO -0.01 0.88 0.46 0.00 -0.95 0.00 0.00 178.83 179.21 1mbg h ARG 131 N 0.92 0.14 0.64 0.00 1.12 -0.55 -2.89 114.38 113.77 1mbg h ARG 131 Ca 0.26 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.08 1mbg h ARG 131 Cb -0.08 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 1mbg h ARG 131 CO -0.07 0.28 -0.37 0.93 -3.11 0.00 0.00 179.97 177.63 1mbg h GLU 132 N -0.03 -0.92 -0.97 0.20 5.08 -0.59 0.18 114.58 117.53 1mbg h GLU 132 Ca 0.03 0.06 0.32 0.00 -1.00 0.00 0.00 59.36 58.77 1mbg h GLU 132 Cb 0.19 0.21 -0.16 0.00 0.50 0.00 0.00 28.75 29.49 1mbg h GLU 132 CO -0.00 -0.61 0.36 -0.09 -1.00 0.00 0.00 179.01 177.67 1mbg h ARG 133 N -0.95 0.12 0.04 2.33 9.65 -0.89 -0.21 114.38 124.47 1mbg h ARG 133 Ca -0.08 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 1mbg h ARG 133 Cb 0.76 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1mbg h ARG 133 CO 0.10 0.08 -0.33 2.35 2.80 0.00 0.00 179.97 184.96 1mbg h TRP 134 N 0.13 0.26 -0.28 2.20 2.91 -1.24 -2.05 115.95 117.87 1mbg h TRP 134 Ca 0.70 -0.17 -0.19 0.00 1.13 0.00 0.00 58.89 60.36 1mbg h TRP 134 Cb 1.62 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 30.17 1mbg h TRP 134 CO -0.18 1.07 0.21 0.72 -1.03 0.00 0.00 178.44 179.24 1mbg n HIS 135 N -4.43 0.84 0.00 2.65 8.25 0.59 -3.64 115.22 119.49 1mbg n HIS 135 Ca -0.11 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 55.80 1mbg n HIS 135 Cb 0.59 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1mbg n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mbg n ASN 136 N 0.93 0.00 -0.06 0.41 3.02 -0.80 -4.90 115.26 113.86 1mbg n ASN 136 Ca 0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1mbg n ASN 136 Cb 0.56 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1mbg n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mbg n HIS 137 N -0.96 0.00 -1.56 3.10 1.44 -1.23 -4.79 115.22 111.21 1mbg n HIS 137 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1mbg n HIS 137 Cb 0.00 -0.43 -0.02 0.00 0.12 0.00 0.00 29.99 29.67 1mbg n HIS 137 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1mbg n LEU 138 N -3.11 6.02 -3.14 2.39 -0.00 -0.77 -4.67 117.00 113.72 1mbg n LEU 138 Ca -0.21 -3.76 -0.23 0.00 -0.00 0.00 0.00 56.01 51.81 1mbg n LEU 138 Cb 0.69 -1.50 -0.04 0.00 -0.00 0.00 0.00 43.42 42.57 1mbg n LEU 138 CO 0.07 0.66 -0.08 -3.20 -0.00 0.00 0.00 177.39 174.84 1mbg n ASN 139 N 6.53 2.27 -0.05 1.96 2.85 -1.24 -4.28 115.26 123.31 1mbg n ASN 139 Ca 0.51 -3.23 -0.11 0.00 -0.11 0.00 0.00 54.58 51.64 1mbg n ASN 139 Cb 0.39 -0.61 -0.05 0.00 1.24 0.00 0.00 39.78 40.76 1mbg n ASN 139 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mbg h PRO 140 N 3.28 0.26 -0.00 1.20 0.13 -1.92 -3.52 132.00 131.43 1mbg h PRO 140 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1mbg h PRO 140 Cb 0.77 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1mbg h PRO 140 CO 0.64 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 179.13