#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7a h ALA 89 N 0.00 1.63 -0.23 0.00 0.00 -2.05 -2.79 119.26 115.81 2x7a h ALA 89 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2x7a h ALA 89 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2x7a h ALA 89 CO 0.00 0.34 0.01 1.15 0.00 0.00 0.00 179.25 180.75 2x7a h THR 90 N 0.67 0.85 -0.24 0.00 2.02 -2.05 -0.06 112.91 114.10 2x7a h THR 90 Ca 0.18 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.35 2x7a h THR 90 Cb -0.06 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2x7a h THR 90 CO -0.04 0.02 0.09 0.00 0.37 0.00 0.00 175.52 175.96 2x7a h ASN 92 N 0.21 0.26 -0.43 0.00 2.35 -1.29 0.23 115.58 116.91 2x7a h ASN 92 Ca 0.11 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2x7a h ASN 92 Cb 0.07 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2x7a h ASN 92 CO -0.10 0.14 0.01 0.45 -1.65 0.00 0.00 177.43 176.28 2x7a h HIS 93 N 0.44 0.88 -0.05 1.19 3.86 -0.51 -3.00 115.15 117.96 2x7a h HIS 93 Ca 0.35 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2x7a h HIS 93 Cb 0.46 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 2x7a h HIS 93 CO -0.16 0.80 -0.01 1.15 0.86 0.00 0.00 177.93 180.57 2x7a h THR 94 N 0.77 1.28 0.00 2.45 2.02 0.84 -1.74 112.91 118.54 2x7a h THR 94 Ca 0.15 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2x7a h THR 94 Cb 0.45 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2x7a h THR 94 CO 0.02 0.24 0.00 0.52 0.37 0.00 0.00 175.52 176.66 2x7a n VAL 95 N -4.85 0.00 0.00 3.16 0.31 0.66 -0.87 118.33 116.73 2x7a n VAL 95 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2x7a n VAL 95 Cb 0.21 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 2x7a n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x7a n ALA 97 N 0.60 0.00 0.00 3.52 0.00 -0.65 -4.73 120.51 119.25 2x7a n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2x7a n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2x7a n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x7a n LEU 98 N 0.00 0.00 0.00 0.00 4.77 -0.05 -1.03 117.00 120.69 2x7a n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2x7a n LEU 98 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2x7a n LEU 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2x7a n ALA 100 N 1.28 0.00 -0.04 -1.18 0.00 -1.26 -1.21 120.51 118.11 2x7a n ALA 100 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2x7a n ALA 100 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2x7a n ALA 100 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2x7a h SER 101 N 0.00 -0.63 -0.38 0.00 0.02 -1.49 -0.92 113.55 110.14 2x7a h SER 101 Ca 0.00 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2x7a h SER 101 Cb 0.00 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2x7a h SER 101 CO 0.00 -0.24 0.26 0.25 -1.14 0.00 0.00 176.83 175.96 2x7a h LEU 102 N -0.21 0.39 -0.25 5.07 5.85 -1.42 0.43 115.31 125.17 2x7a h LEU 102 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2x7a h LEU 102 Cb 0.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2x7a h LEU 102 CO -0.34 0.28 0.09 0.44 -0.34 0.00 0.00 178.44 178.56 2x7a h ASP 103 N 0.46 0.35 -0.63 1.25 3.32 -1.62 -1.48 116.42 118.07 2x7a h ASP 103 Ca 0.15 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2x7a h ASP 103 Cb 0.04 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2x7a h ASP 103 CO -0.03 0.45 0.10 0.00 -1.72 0.00 0.00 179.24 178.03 2x7a h ALA 104 N 0.92 0.84 -0.02 3.45 0.00 -0.41 -0.86 119.26 123.17 2x7a h ALA 104 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2x7a h ALA 104 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2x7a h ALA 104 CO -0.00 0.60 -0.05 1.49 0.00 0.00 0.00 179.25 181.29 2x7a h GLU 105 N 0.96 -0.08 -0.49 0.00 4.57 -0.07 -1.19 114.58 118.28 2x7a h GLU 105 Ca 0.19 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2x7a h GLU 105 Cb 0.44 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 2x7a h GLU 105 CO 0.01 -0.05 0.31 0.87 -1.18 0.00 0.00 179.01 178.98 2x7a h LYS 106 N -0.08 0.65 -0.07 1.92 1.57 -0.92 0.21 116.57 119.85 2x7a h LYS 106 Ca 0.03 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2x7a h LYS 106 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2x7a h LYS 106 CO -0.06 0.45 -0.07 0.00 -0.57 0.00 0.00 179.45 179.20 2x7a h ALA 107 N 1.17 -0.01 -0.21 3.86 0.00 -0.96 -1.04 119.26 122.07 2x7a h ALA 107 Ca 0.18 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 2x7a h ALA 107 Cb -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x7a h ALA 107 CO -0.04 -0.54 -0.58 -0.56 0.00 0.00 0.00 179.25 177.53 2x7a h GLN 108 N -0.08 0.69 -0.58 0.00 3.07 -0.99 -2.72 115.11 114.49 2x7a h GLN 108 Ca 0.05 -0.45 0.12 0.00 0.09 0.00 0.00 58.65 58.46 2x7a h GLN 108 Cb 0.16 0.06 -0.11 0.00 0.08 0.00 0.00 27.48 27.68 2x7a h GLN 108 CO -0.13 1.07 -0.09 0.78 0.09 0.00 0.00 178.83 180.56 2x7a h GLY 109 N 0.90 0.50 1.53 0.06 0.00 -0.56 -1.79 103.07 103.70 2x7a h GLY 109 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2x7a h GLY 109 CO 0.12 -0.21 -0.64 0.06 0.00 0.00 0.00 176.54 175.87 2x7a h GLN 110 N 0.04 0.00 -0.67 4.80 3.07 -1.03 -2.86 115.11 118.46 2x7a h GLN 110 Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.95 2x7a h GLN 110 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.99 2x7a h GLN 110 CO -0.56 0.15 0.11 -0.22 0.09 0.00 0.00 178.83 178.40 2x7a h LYS 111 N 0.00 1.11 -0.01 0.06 3.64 -1.16 0.40 116.57 120.61 2x7a h LYS 111 Ca -0.03 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2x7a h LYS 111 Cb 1.17 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2x7a h LYS 111 CO 0.02 1.02 0.00 -0.22 -2.27 0.00 0.00 179.45 178.00 2x7a h LYS 112 N 1.03 0.02 -0.22 1.90 1.63 -1.33 -1.89 116.57 117.71 2x7a h LYS 112 Ca 0.20 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2x7a h LYS 112 Cb 0.44 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2x7a h LYS 112 CO 0.01 0.23 0.07 0.28 -3.45 0.00 0.00 179.45 176.60 2x7a h VAL 113 N -0.19 1.10 -0.00 2.00 2.07 -1.26 0.25 116.25 120.22 2x7a h VAL 113 Ca 0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2x7a h VAL 113 Cb 0.22 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2x7a h VAL 113 CO -0.00 0.12 -0.00 -0.33 0.02 0.00 0.00 177.57 177.38 2x7a h GLU 114 N 0.31 0.00 -0.73 1.57 5.08 -0.74 0.25 114.58 120.31 2x7a h GLU 114 Ca 0.08 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2x7a h GLU 114 Cb 0.09 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2x7a h GLU 114 CO -0.01 0.51 0.36 0.93 -1.00 0.00 0.00 179.01 179.81 2x7a h GLU 115 N -0.51 0.58 -0.49 2.33 5.08 -1.06 0.44 114.58 120.95 2x7a h GLU 115 Ca 0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2x7a h GLU 115 Cb 0.51 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2x7a h GLU 115 CO 0.00 0.39 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.22 2x7a h LEU 116 N 0.60 0.94 -1.22 1.33 4.07 -0.82 -2.07 115.31 118.14 2x7a h LEU 116 Ca 0.37 -0.36 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2x7a h LEU 116 Cb 0.42 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2x7a h LEU 116 CO -0.29 1.08 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.66 2x7a h GLU 117 N 0.79 0.34 0.52 1.13 5.08 -0.25 -2.01 114.58 120.18 2x7a h GLU 117 Ca 0.12 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2x7a h GLU 117 Cb 0.66 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2x7a h GLU 117 CO 0.05 0.50 -0.46 0.78 -1.00 0.00 0.00 179.01 178.88 2x7a h GLY 118 N 0.88 -1.16 -0.11 -3.84 0.00 -0.55 -1.52 103.07 96.78 2x7a h GLY 118 Ca 0.06 0.53 0.27 0.00 0.00 0.00 0.00 47.33 48.19 2x7a h GLY 118 CO 0.03 -0.37 0.68 0.83 0.00 0.00 0.00 176.54 177.71 2x7a h GLU 119 N -0.97 0.33 -0.20 4.80 5.08 -0.92 0.06 114.58 122.75 2x7a h GLU 119 Ca -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2x7a h GLU 119 Cb 0.84 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2x7a h GLU 119 CO -0.03 0.22 -0.21 0.82 -1.00 0.00 0.00 179.01 178.81 2x7a h ILE 120 N 0.34 1.33 -0.50 3.13 2.04 -0.85 -1.90 117.51 121.11 2x7a h ILE 120 Ca 0.58 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 65.11 2x7a h ILE 120 Cb 1.56 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 2x7a h ILE 120 CO -0.25 0.42 0.24 0.74 0.00 0.00 0.00 178.15 179.30 2x7a h THR 121 N 0.16 0.94 0.28 -0.27 2.02 0.00 -0.15 112.91 115.89 2x7a h THR 121 Ca 0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2x7a h THR 121 Cb 0.75 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2x7a h THR 121 CO 0.05 0.09 -0.17 0.74 0.37 0.00 0.00 175.52 176.60 2x7a h THR 122 N 0.48 0.65 -0.49 3.16 2.02 -1.33 -2.10 112.91 115.30 2x7a h THR 122 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 2x7a h THR 122 Cb 0.14 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.13 2x7a h THR 122 CO -0.16 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.70 2x7a h LEU 123 N -0.43 -0.10 -0.52 2.58 -0.00 -1.17 -1.67 115.31 114.00 2x7a h LEU 123 Ca -0.03 0.10 0.10 0.00 -0.00 0.00 0.00 57.88 58.06 2x7a h LEU 123 Cb 0.35 0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 41.08 2x7a h LEU 123 CO 0.03 -0.02 -0.07 0.78 -0.00 0.00 0.00 178.44 179.16 2x7a h ASN 124 N 0.17 -0.37 -0.73 -0.43 2.35 -0.72 0.48 115.58 116.34 2x7a h ASN 124 Ca 0.25 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 2x7a h ASN 124 Cb 0.36 0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2x7a h ASN 124 CO -0.37 -0.13 0.46 0.45 -1.65 0.00 0.00 177.43 176.19 2x7a h HIS 125 N 0.05 0.87 -0.40 1.19 3.86 -0.69 0.19 115.15 120.22 2x7a h HIS 125 Ca 0.26 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2x7a h HIS 125 Cb 0.40 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2x7a h HIS 125 CO -0.39 0.51 -0.30 0.87 0.86 0.00 0.00 177.93 179.49 2x7a h LYS 126 N 0.92 0.87 -0.35 2.45 1.57 -0.39 -1.67 116.57 119.96 2x7a h LYS 126 Ca 0.29 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 2x7a h LYS 126 Cb -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2x7a h LYS 126 CO -0.10 1.04 -0.43 1.25 -0.57 0.00 0.00 179.45 180.64 2x7a h LEU 127 N 0.73 0.98 -0.74 2.94 5.85 -0.68 -1.31 115.31 123.09 2x7a h LEU 127 Ca 0.08 -0.47 0.14 0.00 0.84 0.00 0.00 57.88 58.47 2x7a h LEU 127 Cb 0.85 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 2x7a h LEU 127 CO 0.07 1.27 0.28 -0.61 -0.34 0.00 0.00 178.44 179.11 2x7a h GLN 128 N 0.73 0.41 0.15 1.25 4.15 -0.39 -0.54 115.11 120.87 2x7a h GLN 128 Ca 0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2x7a h GLN 128 Cb 1.03 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2x7a h GLN 128 CO 0.10 0.27 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.76 2x7a h ASP 129 N 0.42 -0.17 -0.79 -0.69 3.32 -1.09 -2.30 116.42 115.12 2x7a h ASP 129 Ca 0.41 -0.37 0.17 0.00 0.02 0.00 0.00 57.03 57.25 2x7a h ASP 129 Cb 0.62 0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.10 2x7a h ASP 129 CO -0.41 0.38 0.30 0.00 -1.72 0.00 0.00 179.24 177.79 2x7a h ALA 130 N -0.21 1.14 -0.72 3.45 0.00 -1.18 0.32 119.26 122.05 2x7a h ALA 130 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x7a h ALA 130 Cb 0.53 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2x7a h ALA 130 CO 0.03 -0.27 0.42 1.03 0.00 0.00 0.00 179.25 180.46 2x7a h SER 131 N 0.39 0.88 0.08 0.00 0.87 -1.10 -2.31 113.55 112.36 2x7a h SER 131 Ca 0.45 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2x7a h SER 131 Cb 0.76 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2x7a h SER 131 CO -0.46 0.69 -0.04 0.00 -0.53 0.00 0.00 176.83 176.49 2x7a h ALA 132 N 1.45 -0.10 -0.95 6.23 0.00 -0.17 -3.15 119.26 122.57 2x7a h ALA 132 Ca 0.26 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.10 2x7a h ALA 132 Cb -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2x7a h ALA 132 CO -0.05 -0.24 0.61 1.49 0.00 0.00 0.00 179.25 181.07 2x7a h GLU 133 N -0.74 0.51 0.23 0.00 4.57 -0.45 -1.08 114.58 117.61 2x7a h GLU 133 Ca -0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2x7a h GLU 133 Cb 0.58 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2x7a h GLU 133 CO 0.02 0.34 -0.18 0.28 -1.18 0.00 0.00 179.01 178.28 2x7a h VAL 134 N 0.52 0.61 0.00 0.32 2.07 -1.44 -0.81 116.25 117.52 2x7a h VAL 134 Ca 0.52 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.01 2x7a h VAL 134 Cb 1.12 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2x7a h VAL 134 CO -0.25 0.00 -0.13 1.05 0.02 0.00 0.00 177.57 178.26 2x7a h GLU 135 N -0.42 0.00 0.00 1.57 4.11 -1.19 0.40 114.58 119.05 2x7a h GLU 135 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 2x7a h GLU 135 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2x7a h GLU 135 CO -0.02 0.13 -0.59 -0.09 0.07 0.00 0.00 179.01 178.51 2x7a h ARG 136 N 0.00 0.00 0.04 1.06 2.43 -0.85 0.98 114.38 118.04 2x7a h ARG 136 Ca -0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2x7a h ARG 136 Cb 0.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2x7a h ARG 136 CO 0.02 0.59 -1.49 -0.07 -1.51 0.00 0.00 179.97 177.51 2x7a h LEU 137 N 0.00 0.12 -2.29 3.80 3.38 -0.23 0.93 115.31 121.02 2x7a h LEU 137 Ca -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2x7a h LEU 137 Cb 1.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2x7a h LEU 137 CO 0.08 1.17 -0.03 0.03 0.09 0.00 0.00 178.44 179.77 2x7a h ARG 138 N 0.02 0.00 0.00 1.13 3.08 -0.97 -3.18 114.38 114.46 2x7a h ARG 138 Ca -0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2x7a h ARG 138 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 2x7a h ARG 138 CO 0.11 0.03 -1.14 0.54 -1.07 0.00 0.00 179.97 178.45 2x7a n ARG 139 N -3.29 0.61 -2.21 0.04 1.74 0.30 -3.57 116.66 110.28 2x7a n ARG 139 Ca -0.02 0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2x7a n ARG 139 Cb 0.17 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 2x7a n ARG 139 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2x7a s GLU 140 N -3.23 2.90 0.00 5.56 2.02 0.08 -5.09 118.70 120.94 2x7a s GLU 140 Ca -0.01 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.59 2x7a s GLU 140 Cb 0.09 -5.32 0.00 0.00 0.10 0.00 0.00 34.13 29.00 2x7a s GLU 140 CO 0.80 -3.52 0.00 0.09 0.02 0.00 0.00 175.26 172.65