#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7a h THR 90 N 0.00 1.22 -0.29 0.00 2.02 -2.05 -2.38 112.91 111.43 2x7a h THR 90 Ca 0.00 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 2x7a h THR 90 Cb 0.00 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2x7a h THR 90 CO 0.00 0.30 -0.24 0.00 0.37 0.00 0.00 175.52 175.95 2x7a h ASN 92 N 0.41 -0.77 -0.88 0.00 4.21 -1.93 -0.57 115.58 116.05 2x7a h ASN 92 Ca 0.05 0.12 0.08 0.00 1.21 0.00 0.00 56.30 57.77 2x7a h ASN 92 Cb 0.80 0.34 -0.06 0.00 -1.12 0.00 0.00 38.32 38.28 2x7a h ASN 92 CO 0.06 -0.30 0.57 0.45 -1.29 0.00 0.00 177.43 176.93 2x7a h HIS 93 N -0.32 0.97 -0.17 1.19 3.86 -1.25 -2.58 115.15 116.86 2x7a h HIS 93 Ca 0.10 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 2x7a h HIS 93 Cb 0.47 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 2x7a h HIS 93 CO -0.35 0.47 -0.21 1.15 0.86 0.00 0.00 177.93 179.85 2x7a h THR 94 N 0.92 1.34 0.00 2.45 2.02 -0.68 -2.19 112.91 116.77 2x7a h THR 94 Ca 0.40 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2x7a h THR 94 Cb 0.33 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2x7a h THR 94 CO -0.16 0.42 0.00 0.52 0.37 0.00 0.00 175.52 176.67 2x7a n VAL 95 N -4.45 0.00 0.00 3.16 0.31 -0.28 -1.27 118.33 115.80 2x7a n VAL 95 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2x7a n VAL 95 Cb 0.41 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.63 0.00 0.05 3.52 0.00 -0.83 -4.64 120.51 119.25 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 0.14 0.00 0.00 4.77 -0.40 -0.23 117.00 121.28 2x7a n LEU 98 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2x7a n LEU 98 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2x7a n LEU 98 CO 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.08 2x7a n ALA 100 N 0.94 0.00 -0.07 -1.18 0.00 -1.26 -0.98 120.51 117.95 2x7a n ALA 100 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2x7a n ALA 100 Cb 0.02 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.53 2x7a n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x7a h SER 101 N 0.00 0.80 -0.20 0.00 0.87 -1.00 -0.75 113.55 113.26 2x7a h SER 101 Ca 0.00 -0.34 -0.13 0.00 -1.23 0.00 0.00 61.79 60.09 2x7a h SER 101 Cb 0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2x7a h SER 101 CO 0.00 1.06 -0.34 0.25 -0.53 0.00 0.00 176.83 177.27 2x7a h LEU 102 N 0.64 0.75 -0.38 2.23 5.85 -1.31 -0.38 115.31 122.72 2x7a h LEU 102 Ca 0.07 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2x7a h LEU 102 Cb 0.87 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2x7a h LEU 102 CO 0.08 1.03 0.22 0.44 -0.34 0.00 0.00 178.44 179.87 2x7a h ASP 103 N 0.60 0.46 -0.11 1.25 3.32 -1.72 -1.90 116.42 118.32 2x7a h ASP 103 Ca 0.06 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x7a h ASP 103 Cb 0.87 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2x7a h ASP 103 CO 0.08 0.39 0.07 0.00 -1.72 0.00 0.00 179.24 178.06 2x7a h ALA 104 N 1.09 0.14 -0.70 3.45 0.00 -1.00 -1.68 119.26 120.55 2x7a h ALA 104 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2x7a h ALA 104 Cb 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2x7a h ALA 104 CO -0.02 -0.37 0.37 1.49 0.00 0.00 0.00 179.25 180.72 2x7a h GLU 105 N 0.15 0.64 -0.42 0.00 4.57 -0.95 -0.43 114.58 118.13 2x7a h GLU 105 Ca 0.04 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2x7a h GLU 105 Cb -0.01 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2x7a h GLU 105 CO -0.01 0.42 -0.10 0.87 -1.18 0.00 0.00 179.01 179.01 2x7a h LYS 106 N 0.66 0.74 0.07 1.92 1.57 -1.03 -2.32 116.57 118.18 2x7a h LYS 106 Ca 0.33 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 2x7a h LYS 106 Cb 0.29 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.55 2x7a h LYS 106 CO -0.23 0.82 -0.68 0.00 -0.57 0.00 0.00 179.45 178.79 2x7a h ALA 107 N 1.21 -0.01 -0.37 3.86 0.00 -0.95 -0.87 119.26 122.14 2x7a h ALA 107 Ca 0.12 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2x7a h ALA 107 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2x7a h ALA 107 CO 0.03 0.35 0.24 0.37 0.00 0.00 0.00 179.25 180.25 2x7a h GLN 108 N -0.25 0.41 0.06 0.00 4.15 -1.07 -2.19 115.11 116.21 2x7a h GLN 108 Ca -0.10 -0.02 -0.28 0.00 0.77 0.00 0.00 58.65 59.01 2x7a h GLN 108 Cb 1.46 -0.09 0.03 0.00 0.21 0.00 0.00 27.48 29.08 2x7a h GLN 108 CO 0.13 0.27 -1.13 0.78 -1.93 0.00 0.00 178.83 176.95 2x7a h GLY 109 N 0.42 0.74 1.13 2.39 0.00 -1.36 -2.20 103.07 104.19 2x7a h GLY 109 Ca 0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.03 2x7a h GLY 109 CO -0.03 1.25 0.39 -1.61 0.00 0.00 0.00 176.54 176.54 2x7a h GLN 110 N 0.32 1.13 -0.22 4.80 5.75 -0.95 -1.61 115.11 124.33 2x7a h GLN 110 Ca -0.16 -0.15 -0.20 0.00 -0.15 0.00 0.00 58.65 57.99 2x7a h GLN 110 Cb 1.80 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 30.14 2x7a h GLN 110 CO 0.22 0.86 -0.64 -0.22 -2.65 0.00 0.00 178.83 176.40 2x7a h LYS 111 N 1.13 0.80 -0.44 1.69 3.64 -1.42 -1.35 116.57 120.61 2x7a h LYS 111 Ca 0.28 -0.56 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2x7a h LYS 111 Cb 0.09 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2x7a h LYS 111 CO -0.04 1.19 0.25 -0.22 -2.27 0.00 0.00 179.45 178.36 2x7a h LYS 112 N 0.59 0.49 -0.22 1.90 1.63 -1.24 -1.10 116.57 118.62 2x7a h LYS 112 Ca -0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2x7a h LYS 112 Cb 1.25 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2x7a h LYS 112 CO 0.13 0.32 0.09 0.28 -3.45 0.00 0.00 179.45 176.83 2x7a h VAL 113 N 0.51 1.17 -0.63 2.00 2.07 -1.15 -1.70 116.25 118.51 2x7a h VAL 113 Ca 0.18 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.29 2x7a h VAL 113 Cb 0.03 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2x7a h VAL 113 CO -0.09 0.16 0.25 -0.08 0.02 0.00 0.00 177.57 177.83 2x7a h GLU 114 N 0.21 0.43 0.33 1.57 4.81 -1.06 0.46 114.58 121.33 2x7a h GLU 114 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2x7a h GLU 114 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2x7a h GLU 114 CO -0.01 0.28 -0.36 0.93 -0.73 0.00 0.00 179.01 179.13 2x7a h GLU 115 N 0.44 -0.70 -0.05 1.92 5.08 -0.98 -1.60 114.58 118.69 2x7a h GLU 115 Ca 0.32 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2x7a h GLU 115 Cb 0.38 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2x7a h GLU 115 CO -0.30 -0.47 0.03 -0.07 -1.00 0.00 0.00 179.01 177.21 2x7a h LEU 116 N -0.73 0.06 0.00 1.33 4.07 -0.30 -1.28 115.31 118.46 2x7a h LEU 116 Ca -0.02 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2x7a h LEU 116 Cb 0.66 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 2x7a h LEU 116 CO -0.08 0.04 -0.32 -0.33 -1.08 0.00 0.00 178.44 176.68 2x7a h GLU 117 N 0.07 0.00 -0.02 1.13 5.08 0.22 -2.42 114.58 118.64 2x7a h GLU 117 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 2x7a h GLU 117 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2x7a h GLU 117 CO -0.00 0.31 -1.01 0.78 -1.00 0.00 0.00 179.01 178.09 2x7a h GLY 118 N 3.69 0.79 0.99 -3.84 0.00 -0.27 -1.95 103.07 102.47 2x7a h GLY 118 Ca -0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 47.33 45.96 2x7a h GLY 118 CO 0.04 1.20 -0.08 0.83 0.00 0.00 0.00 176.54 178.54 2x7a h GLU 119 N 0.40 -0.21 -0.75 4.80 5.08 -1.32 -1.17 114.58 121.42 2x7a h GLU 119 Ca -0.12 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2x7a h GLU 119 Cb 1.66 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.91 2x7a h GLU 119 CO 0.20 -0.13 0.50 0.82 -1.00 0.00 0.00 179.01 179.40 2x7a h ILE 120 N -0.23 0.81 0.65 3.13 2.04 -1.45 0.09 117.51 122.56 2x7a h ILE 120 Ca -0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2x7a h ILE 120 Cb 0.18 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2x7a h ILE 120 CO 0.04 0.08 -0.31 0.74 0.00 0.00 0.00 178.15 178.69 2x7a h THR 121 N 0.43 0.00 -0.55 -0.27 2.02 -0.85 -1.50 112.91 112.18 2x7a h THR 121 Ca 0.36 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.32 2x7a h THR 121 Cb 0.81 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 2x7a h THR 121 CO -0.12 0.00 -0.33 0.41 0.37 0.00 0.00 175.52 175.86 2x7a n THR 122 N -5.12 -0.38 -0.19 3.16 -1.04 -0.49 -2.00 114.28 108.23 2x7a n THR 122 Ca -0.11 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.90 2x7a n THR 122 Cb 0.34 -2.53 0.10 0.00 -1.82 0.00 0.00 70.33 66.43 2x7a n THR 122 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2x7a h LEU 123 N 0.00 0.01 -1.69 -4.42 3.38 -1.03 -0.32 115.31 111.23 2x7a h LEU 123 Ca 0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2x7a h LEU 123 Cb 0.23 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2x7a h LEU 123 CO -0.52 0.02 0.15 0.78 0.09 0.00 0.00 178.44 178.96 2x7a h ASN 124 N 0.26 0.31 0.25 -0.43 2.35 -0.82 0.45 115.58 117.95 2x7a h ASN 124 Ca 0.31 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2x7a h ASN 124 Cb 0.45 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2x7a h ASN 124 CO -0.39 0.25 -0.12 -0.74 -1.65 0.00 0.00 177.43 174.78 2x7a h HIS 125 N 0.36 -0.31 0.00 1.19 2.76 -0.51 -2.88 115.15 115.76 2x7a h HIS 125 Ca 0.10 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2x7a h HIS 125 Cb -0.00 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2x7a h HIS 125 CO 0.00 -0.19 0.00 0.36 -1.30 0.00 0.00 177.93 176.80 2x7a n LYS 126 N -3.47 0.05 -0.04 5.26 2.85 -0.28 0.05 118.16 122.58 2x7a n LYS 126 Ca -0.04 0.47 -0.17 0.00 -1.05 0.00 0.00 58.31 57.52 2x7a n LYS 126 Cb 0.13 -1.63 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 2x7a n LYS 126 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2x7a h LEU 127 N 0.00 0.95 -0.16 -5.58 5.85 -0.12 -2.86 115.31 113.39 2x7a h LEU 127 Ca 0.00 -0.60 -0.23 0.00 0.84 0.00 0.00 57.88 57.89 2x7a h LEU 127 Cb 0.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2x7a h LEU 127 CO 0.00 1.39 -0.96 0.06 -0.34 0.00 0.00 178.44 178.59 2x7a h GLN 128 N 0.57 0.35 0.29 1.25 3.07 -0.15 0.14 115.11 120.63 2x7a h GLN 128 Ca -0.03 -0.40 -0.01 0.00 0.09 0.00 0.00 58.65 58.29 2x7a h GLN 128 Cb 1.33 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 29.00 2x7a h GLN 128 CO 0.15 1.09 -0.23 -0.44 0.09 0.00 0.00 178.83 179.49 2x7a h ASP 129 N 0.19 -0.61 -0.98 0.06 5.19 -1.32 0.22 116.42 119.17 2x7a h ASP 129 Ca -0.08 0.04 0.20 0.00 -0.62 0.00 0.00 57.03 56.57 2x7a h ASP 129 Cb 1.61 0.19 -0.09 0.00 0.18 0.00 0.00 39.33 41.22 2x7a h ASP 129 CO 0.16 -0.32 0.62 0.00 -3.12 0.00 0.00 179.24 176.58 2x7a h ALA 130 N -1.46 1.88 -0.47 3.45 0.00 -1.55 -1.85 119.26 119.27 2x7a h ALA 130 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2x7a h ALA 130 Cb 0.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2x7a h ALA 130 CO 0.01 -0.23 0.10 1.03 0.00 0.00 0.00 179.25 180.15 2x7a h SER 131 N 0.63 0.73 -0.44 0.00 0.87 -0.10 -0.34 113.55 114.90 2x7a h SER 131 Ca 0.55 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 2x7a h SER 131 Cb 1.03 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2x7a h SER 131 CO -0.31 0.78 0.04 0.00 -0.53 0.00 0.00 176.83 176.81 2x7a h ALA 132 N 0.97 0.58 -0.85 6.23 0.00 -0.19 -1.50 119.26 124.50 2x7a h ALA 132 Ca 0.15 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.95 2x7a h ALA 132 Cb 0.35 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2x7a h ALA 132 CO 0.00 0.33 0.45 1.49 0.00 0.00 0.00 179.25 181.53 2x7a h GLU 133 N 0.59 0.66 -0.05 0.00 4.57 -1.03 0.35 114.58 119.67 2x7a h GLU 133 Ca 0.13 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 2x7a h GLU 133 Cb 0.43 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2x7a h GLU 133 CO 0.01 0.43 -0.43 0.28 -1.18 0.00 0.00 179.01 178.13 2x7a h VAL 134 N 0.68 1.31 -0.08 0.32 2.07 -0.76 -1.57 116.25 118.21 2x7a h VAL 134 Ca 0.45 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2x7a h VAL 134 Cb 0.58 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2x7a h VAL 134 CO -0.33 0.44 -0.23 -0.08 0.02 0.00 0.00 177.57 177.39 2x7a h GLU 135 N 0.09 0.30 -0.36 1.57 4.57 0.08 -1.12 114.58 119.70 2x7a h GLU 135 Ca 0.01 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2x7a h GLU 135 Cb 0.80 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2x7a h GLU 135 CO 0.06 0.83 0.20 -0.09 -1.18 0.00 0.00 179.01 178.83 2x7a h ARG 136 N -0.18 0.50 -0.09 1.92 1.12 -0.36 0.17 114.38 117.46 2x7a h ARG 136 Ca -0.00 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2x7a h ARG 136 Cb 0.84 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.70 2x7a h ARG 136 CO 0.05 0.40 0.02 -0.07 -3.11 0.00 0.00 179.97 177.27 2x7a h LEU 137 N 0.46 0.14 -0.76 3.80 3.38 -1.32 0.27 115.31 121.27 2x7a h LEU 137 Ca 0.13 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.01 2x7a h LEU 137 Cb 0.05 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.62 2x7a h LEU 137 CO -0.02 0.32 -0.22 -2.11 0.09 0.00 0.00 178.44 176.50 2x7a n ARG 138 N -4.89 -0.10 0.27 1.13 1.85 -0.43 -0.65 116.66 113.85 2x7a n ARG 138 Ca -0.06 1.18 0.16 0.00 -1.00 0.00 0.00 57.85 58.12 2x7a n ARG 138 Cb 0.15 -1.75 0.74 0.00 -1.05 0.00 0.00 32.46 30.54 2x7a n ARG 138 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2x7a h ARG 139 N 0.00 0.00 -0.42 2.89 3.08 0.26 -2.44 114.38 117.74 2x7a h ARG 139 Ca 0.34 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.41 2x7a h ARG 139 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2x7a h ARG 139 CO -0.77 0.07 0.24 0.93 -1.07 0.00 0.00 179.97 179.36 2x7a h GLU 140 N 0.00 0.46 -0.20 0.04 5.08 -0.68 -2.65 114.58 116.63 2x7a h GLU 140 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2x7a h GLU 140 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2x7a h GLU 140 CO 0.01 0.31 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.34 2x7a h ASN 141 N 0.48 0.29 0.00 1.42 -0.26 -0.74 -3.51 115.58 113.25 2x7a h ASN 141 Ca 0.17 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2x7a h ASN 141 Cb 0.04 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2x7a h ASN 141 CO -0.10 0.41 0.00 0.00 -1.06 0.00 0.00 177.43 176.68