#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1j h GLU 96 N 0.00 0.29 -0.54 6.28 -0.00 -2.06 -0.43 114.58 118.12 1g1j h GLU 96 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 59.25 1g1j h GLU 96 Cb 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 28.67 1g1j h GLU 96 CO 0.00 0.19 -0.02 0.87 -0.00 0.00 0.00 179.01 180.05 1g1j h LYS 97 N 0.29 0.97 -0.43 1.06 1.79 -2.06 -1.69 116.57 116.51 1g1j h LYS 97 Ca 0.16 -0.32 -0.15 0.00 -2.18 0.00 0.00 60.65 58.16 1g1j h LYS 97 Cb 0.26 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1g1j h LYS 97 CO -0.03 0.99 -0.32 1.96 -1.08 0.00 0.00 179.45 180.97 1g1j h GLN 98 N 0.85 0.97 -0.70 3.15 7.50 -1.75 -2.69 115.11 122.45 1g1j h GLN 98 Ca 0.15 -0.47 0.01 0.00 0.50 0.00 0.00 58.65 58.84 1g1j h GLN 98 Cb 0.56 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.06 1g1j h GLN 98 CO 0.03 1.14 0.46 0.52 -1.50 0.00 0.00 178.83 179.48 1g1j h MET 99 N 0.81 0.91 -0.48 1.46 2.86 -0.94 -1.62 114.93 117.94 1g1j h MET 99 Ca 0.08 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1g1j h MET 99 Cb 0.91 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1g1j h MET 99 CO 0.08 0.60 -0.13 0.22 1.06 0.00 0.00 176.91 178.74 1g1j h ASP 100 N 0.94 0.91 -0.83 1.22 3.58 -1.12 -2.09 116.42 119.03 1g1j h ASP 100 Ca 0.26 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 1g1j h ASP 100 Cb -0.11 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.66 1g1j h ASP 100 CO -0.06 1.05 0.38 0.03 -2.88 0.00 0.00 179.24 177.76 1g1j h ARG 101 N 0.81 1.21 -0.51 0.28 3.08 -1.00 -2.19 114.38 116.07 1g1j h ARG 101 Ca 0.13 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1g1j h ARG 101 Cb 0.67 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1g1j h ARG 101 CO 0.05 0.95 0.17 0.28 -1.07 0.00 0.00 179.97 180.35 1g1j h VAL 102 N 1.20 1.23 -0.66 2.04 2.07 -1.04 -2.12 116.25 118.96 1g1j h VAL 102 Ca 0.28 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1g1j h VAL 102 Cb 0.16 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1g1j h VAL 102 CO -0.03 0.27 0.21 0.58 0.02 0.00 0.00 177.57 178.62 1g1j h VAL 103 N 0.68 1.24 -0.05 2.57 2.07 -1.14 -1.79 116.25 119.84 1g1j h VAL 103 Ca 0.16 -0.84 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 1g1j h VAL 103 Cb 0.25 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1g1j h VAL 103 CO -0.01 0.33 -0.57 0.11 0.02 0.00 0.00 177.57 177.45 1g1j h LYS 104 N 0.97 0.15 -0.30 1.57 1.57 -1.23 -2.23 116.57 117.09 1g1j h LYS 104 Ca 0.22 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1g1j h LYS 104 Cb 0.28 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1g1j h LYS 104 CO -0.01 0.68 -0.32 0.93 -0.57 0.00 0.00 179.45 180.16 1g1j h GLU 105 N 0.12 0.64 -0.45 3.15 4.39 -1.08 -1.59 114.58 119.76 1g1j h GLU 105 Ca -0.00 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1g1j h GLU 105 Cb 1.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1g1j h GLU 105 CO 0.08 0.88 -0.06 0.52 -1.16 0.00 0.00 179.01 179.26 1g1j h MET 106 N 0.54 0.77 -0.24 2.33 2.86 -1.08 0.15 114.93 120.27 1g1j h MET 106 Ca 0.06 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.34 1g1j h MET 106 Cb 0.81 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1g1j h MET 106 CO 0.07 0.82 -0.41 -0.09 1.06 0.00 0.00 176.91 178.36 1g1j h ARG 107 N 0.71 0.56 -0.30 1.72 2.43 -1.15 -0.96 114.38 117.39 1g1j h ARG 107 Ca 0.13 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1g1j h ARG 107 Cb 0.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1g1j h ARG 107 CO 0.03 0.87 -0.12 0.00 -1.51 0.00 0.00 179.97 179.24 1g1j h ARG 108 N 0.46 0.61 -0.93 0.20 3.08 -0.84 -2.79 114.38 114.17 1g1j h ARG 108 Ca 0.04 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1g1j h ARG 108 Cb 0.91 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 1g1j h ARG 108 CO 0.08 0.82 0.59 0.37 -1.07 0.00 0.00 179.97 180.76 1g1j h GLN 109 N 0.36 1.24 -0.80 0.04 4.15 -0.46 -2.40 115.11 117.24 1g1j h GLN 109 Ca 0.07 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1g1j h GLN 109 Cb 0.63 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1g1j h GLN 109 CO 0.04 0.84 0.52 1.25 -1.93 0.00 0.00 178.83 179.55 1g1j h LEU 110 N 1.27 0.86 -1.29 -2.39 5.85 -1.07 -0.54 115.31 117.99 1g1j h LEU 110 Ca 0.34 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1g1j h LEU 110 Cb -0.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.73 1g1j h LEU 110 CO -0.07 0.60 0.00 -0.62 -0.34 0.00 0.00 178.44 178.01 1g1j n GLU 111 N -4.58 0.00 0.00 1.25 4.71 -0.90 -1.15 120.64 119.97 1g1j n GLU 111 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1g1j n GLU 111 Cb 0.07 -1.11 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1g1j n GLU 111 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1g1j n ILE 113 N 0.62 0.00 -0.18 -3.67 5.41 -0.21 -2.04 119.36 119.29 1g1j n ILE 113 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1g1j n ILE 113 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 38.98 1g1j n ILE 113 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1g1j h ASP 114 N 0.00 0.49 -0.39 4.38 3.32 -1.39 0.15 116.42 122.98 1g1j h ASP 114 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1g1j h ASP 114 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1g1j h ASP 114 CO 0.00 0.34 0.15 0.11 -1.72 0.00 0.00 179.24 178.13 1g1j h LYS 115 N 0.61 0.58 -0.87 3.56 1.57 -1.67 -1.44 116.57 118.92 1g1j h LYS 115 Ca 0.22 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1g1j h LYS 115 Cb 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1g1j h LYS 115 CO -0.11 0.56 0.51 -0.07 -0.57 0.00 0.00 179.45 179.76 1g1j h LEU 116 N 0.48 1.07 -0.45 2.94 3.38 -1.72 -0.85 115.31 120.16 1g1j h LEU 116 Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1g1j h LEU 116 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1g1j h LEU 116 CO -0.01 0.84 0.10 0.74 0.09 0.00 0.00 178.44 180.20 1g1j h THR 117 N 1.21 1.24 -0.06 0.22 2.02 -0.46 -0.27 112.91 116.80 1g1j h THR 117 Ca 0.31 -0.84 -0.17 0.00 0.77 0.00 0.00 66.41 66.48 1g1j h THR 117 Cb -0.02 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1g1j h THR 117 CO -0.05 0.30 -0.69 0.71 0.37 0.00 0.00 175.52 176.15 1g1j h THR 118 N 0.60 1.40 -0.17 3.16 1.35 -1.05 -2.91 112.91 115.29 1g1j h THR 118 Ca 0.14 -2.14 -0.18 0.00 -0.55 0.00 0.00 66.41 63.67 1g1j h THR 118 Cb 0.34 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1g1j h THR 118 CO 0.00 0.64 -0.64 0.03 -0.25 0.00 0.00 175.52 175.30 1g1j h ARG 119 N 0.20 0.63 -0.86 4.72 3.08 -1.06 -2.72 114.38 118.37 1g1j h ARG 119 Ca -0.02 -0.44 0.04 0.00 0.07 0.00 0.00 59.98 59.63 1g1j h ARG 119 Cb 1.24 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.31 1g1j h ARG 119 CO 0.11 1.06 0.55 1.49 -1.07 0.00 0.00 179.97 182.11 1g1j h GLU 120 N 0.46 1.02 -0.40 0.04 4.22 -1.00 -0.75 114.58 118.17 1g1j h GLU 120 Ca -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 1g1j h GLU 120 Cb 1.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1g1j h GLU 120 CO 0.12 0.67 0.15 0.82 -2.18 0.00 0.00 179.01 178.60 1g1j h ILE 121 N 1.05 1.20 -0.79 2.32 2.04 -1.39 -1.46 117.51 120.48 1g1j h ILE 121 Ca 0.35 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1g1j h ILE 121 Cb 0.05 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1g1j h ILE 121 CO -0.13 0.23 0.50 -0.33 0.00 0.00 0.00 178.15 178.42 1g1j h GLU 122 N 0.50 1.06 -0.08 2.37 4.39 -1.10 -1.92 114.58 119.79 1g1j h GLU 122 Ca 0.13 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1g1j h GLU 122 Cb 0.21 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1g1j h GLU 122 CO -0.01 0.72 -0.03 1.96 -1.16 0.00 0.00 179.01 180.49 1g1j h GLN 123 N 1.08 0.17 -0.78 2.33 4.20 -0.79 -2.40 115.11 118.92 1g1j h GLN 123 Ca 0.29 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 1g1j h GLN 123 Cb -0.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1g1j h GLN 123 CO -0.06 0.52 0.31 -0.24 -0.67 0.00 0.00 178.83 178.69 1g1j h VAL 124 N -0.19 1.26 -0.42 -0.54 3.04 -1.12 0.73 116.25 119.01 1g1j h VAL 124 Ca 0.02 -0.82 -0.05 0.00 -1.01 0.00 0.00 66.70 64.84 1g1j h VAL 124 Cb 0.47 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1g1j h VAL 124 CO 0.01 0.33 0.04 -0.33 -1.01 0.00 0.00 177.57 176.62 1g1j h GLU 125 N 1.13 0.65 -0.43 4.17 4.39 -1.37 -0.80 114.58 122.32 1g1j h GLU 125 Ca 0.26 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 1g1j h GLU 125 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1g1j h GLU 125 CO -0.02 0.64 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.24 1g1j h LEU 126 N 0.62 0.89 -0.73 1.33 3.38 -0.83 -2.45 115.31 117.52 1g1j h LEU 126 Ca 0.13 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1g1j h LEU 126 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1g1j h LEU 126 CO 0.01 1.07 0.39 -0.07 0.09 0.00 0.00 178.44 179.93 1g1j h LEU 127 N 0.70 0.93 -0.71 1.67 3.38 -0.30 -0.48 115.31 120.50 1g1j h LEU 127 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1g1j h LEU 127 Cb 0.72 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1g1j h LEU 127 CO 0.05 0.77 0.12 0.11 0.09 0.00 0.00 178.44 179.59 1g1j h LYS 128 N 1.01 1.12 -0.57 1.13 1.57 -1.09 -0.08 116.57 119.66 1g1j h LYS 128 Ca 0.26 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1g1j h LYS 128 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1g1j h LYS 128 CO -0.04 1.01 0.01 0.00 -0.57 0.00 0.00 179.45 179.86 1g1j h ARG 129 N 1.05 0.98 -0.27 3.15 3.08 -1.09 -0.87 114.38 120.40 1g1j h ARG 129 Ca 0.21 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1g1j h ARG 129 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1g1j h ARG 129 CO 0.01 0.96 -0.04 0.82 -1.07 0.00 0.00 179.97 180.65 1g1j h ILE 130 N 0.90 1.27 -0.93 2.04 2.04 -0.80 -2.02 117.51 120.00 1g1j h ILE 130 Ca 0.17 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1g1j h ILE 130 Cb 0.52 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1g1j h ILE 130 CO 0.03 0.33 0.62 0.22 0.00 0.00 0.00 178.15 179.34 1g1j h TYR 131 N 0.27 1.17 -0.52 1.37 3.20 -0.79 -2.12 116.97 119.55 1g1j h TYR 131 Ca 0.07 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1g1j h TYR 131 Cb 0.50 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1g1j h TYR 131 CO 0.05 0.72 0.10 -0.44 -1.64 0.00 0.00 178.16 176.95 1g1j h ASP 132 N 1.25 0.75 0.50 -2.11 3.32 -0.98 -1.95 116.42 117.19 1g1j h ASP 132 Ca 0.35 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1g1j h ASP 132 Cb -0.12 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1g1j h ASP 132 CO -0.08 0.75 0.00 0.11 -1.72 0.00 0.00 179.24 178.30 1g1j h LYS 133 N 0.77 0.00 -0.01 3.56 1.79 -0.68 -2.39 116.57 119.61 1g1j h LYS 133 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1g1j h LYS 133 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1g1j h LYS 133 CO 0.00 0.00 -0.35 1.28 -1.08 0.00 0.00 179.45 179.30 1g1j n LEU 134 N -2.42 1.44 -4.42 2.94 4.77 -0.79 -5.01 117.00 113.52 1g1j n LEU 134 Ca 0.00 -0.74 -0.31 0.00 -0.03 0.00 0.00 56.01 54.94 1g1j n LEU 134 Cb 0.17 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1g1j n LEU 134 CO 0.18 0.28 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.12 1g1j s THR 135 N -1.85 2.60 0.15 -5.08 2.01 -0.88 -5.08 115.64 107.51 1g1j s THR 135 Ca 0.11 -1.20 -0.34 0.00 0.31 0.00 0.00 61.69 60.57 1g1j s THR 135 Cb 0.12 -2.06 -0.14 0.00 0.01 0.00 0.00 72.50 70.43 1g1j s THR 135 CO 0.40 0.38 1.52 0.55 -0.69 0.00 0.00 174.62 176.78 1g1j n VAL 136 N 1.72 0.06 0.34 3.82 3.14 -1.26 -4.90 118.33 121.25 1g1j n VAL 136 Ca -0.16 -0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.24 1g1j n VAL 136 Cb 0.52 -1.40 0.03 0.00 -1.06 0.00 0.00 33.84 31.94 1g1j n VAL 136 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37