#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg1 s SER 91 N 0.00 2.58 0.37 1.61 1.04 -1.26 -5.13 113.70 112.91 1wg1 s SER 91 Ca 0.00 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1wg1 s SER 91 Cb 0.00 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 1wg1 s SER 91 CO 0.00 -0.06 0.10 -0.44 0.98 0.00 0.00 173.24 173.82 1wg1 s SER 92 N 1.47 2.52 1.73 7.02 0.01 -1.26 -5.04 113.70 120.15 1wg1 s SER 92 Ca 0.04 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1wg1 s SER 92 Cb -0.13 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wg1 s SER 92 CO -0.09 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1wg1 n GLY 93 N -0.80 3.70 3.91 3.44 0.00 -1.26 -4.86 105.19 109.32 1wg1 n GLY 93 Ca -0.04 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1wg1 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg1 n SER 94 N 8.61 -3.04 -4.94 1.61 7.64 -1.26 -2.80 113.62 119.44 1wg1 n SER 94 Ca 0.00 -0.77 -0.24 0.00 1.01 0.00 0.00 58.87 58.87 1wg1 n SER 94 Cb 0.00 -2.53 0.03 0.00 -1.01 0.00 0.00 64.21 60.70 1wg1 n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg1 s SER 95 N -3.02 5.56 0.00 6.43 1.04 -1.26 -4.55 113.70 117.89 1wg1 s SER 95 Ca 0.61 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1wg1 s SER 95 Cb -0.34 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1wg1 s SER 95 CO 0.76 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1wg1 n GLY 96 N -2.40 2.17 3.16 7.32 0.00 -1.26 -4.71 105.19 109.47 1wg1 n GLY 96 Ca 0.04 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1wg1 n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wg1 s ILE 97 N -1.87 0.16 -0.13 -0.61 -4.36 0.01 -3.07 121.20 111.33 1wg1 s ILE 97 Ca 0.00 -1.60 -0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1wg1 s ILE 97 Cb 0.00 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1wg1 s ILE 97 CO 0.00 -0.73 -0.03 -0.76 0.24 0.00 0.00 174.94 173.66 1wg1 s LEU 98 N -2.93 3.33 -0.77 0.37 1.43 0.12 -1.92 118.68 118.31 1wg1 s LEU 98 Ca 0.11 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 1wg1 s LEU 98 Cb 0.07 -1.79 0.19 0.00 0.03 0.00 0.00 46.19 44.69 1wg1 s LEU 98 CO -0.07 0.23 0.73 -0.69 0.23 0.00 0.00 176.35 176.78 1wg1 s VAL 99 N -0.00 5.46 0.26 -1.59 1.01 -0.13 -2.02 120.40 123.38 1wg1 s VAL 99 Ca 0.01 -2.18 0.06 0.00 0.00 0.00 0.00 61.98 59.87 1wg1 s VAL 99 Cb -0.13 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1wg1 s VAL 99 CO 0.02 -1.03 0.29 -0.54 0.00 0.00 0.00 175.10 173.85 1wg1 s LYS 100 N 0.66 3.16 -0.49 2.72 1.02 0.27 -1.54 119.74 125.55 1wg1 s LYS 100 Ca 0.15 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 1wg1 s LYS 100 Cb -0.14 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1wg1 s LYS 100 CO -0.06 0.37 0.41 -1.71 -0.92 0.00 0.00 175.35 173.44 1wg1 n ASN 101 N -1.33 -2.33 -4.90 2.83 2.85 -1.25 -0.20 115.26 110.94 1wg1 n ASN 101 Ca -0.07 -0.24 -0.28 0.00 -0.11 0.00 0.00 54.58 53.87 1wg1 n ASN 101 Cb 0.58 -2.34 -0.02 0.00 1.24 0.00 0.00 39.78 39.24 1wg1 n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1wg1 s LEU 102 N -3.70 3.86 0.00 1.20 1.43 -1.25 -4.29 118.68 115.93 1wg1 s LEU 102 Ca 0.04 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1wg1 s LEU 102 Cb -0.02 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1wg1 s LEU 102 CO 0.29 -0.38 0.00 -0.81 0.23 0.00 0.00 176.35 175.68 1wg1 n PRO 103 N -1.49 -0.54 0.05 1.29 -0.04 -1.26 -4.96 135.00 128.05 1wg1 n PRO 103 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1wg1 n PRO 103 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 1wg1 n PRO 103 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1wg1 h GLN 104 N 0.00 0.00 -0.71 0.54 3.07 -1.98 -3.33 115.11 112.70 1wg1 h GLN 104 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.25 1wg1 h GLN 104 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 27.48 27.23 1wg1 h GLN 104 CO 0.00 0.62 -0.33 -3.47 0.09 0.00 0.00 178.83 175.74 1wg1 n ASP 105 N -3.15 4.98 -4.77 0.06 2.03 -1.26 -5.05 116.55 109.40 1wg1 n ASP 105 Ca -0.06 -3.77 -0.34 0.00 0.52 0.00 0.00 54.79 51.14 1wg1 n ASP 105 Cb 0.91 -0.53 0.04 0.00 -0.72 0.00 0.00 41.12 40.82 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wg1 s SER 106 N -3.04 5.17 0.21 1.67 0.15 -1.25 -5.05 113.70 111.56 1wg1 s SER 106 Ca 0.52 2.06 -0.23 0.00 0.70 0.00 0.00 55.95 59.01 1wg1 s SER 106 Cb 0.43 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1wg1 s SER 106 CO 0.02 -1.59 0.78 0.20 1.20 0.00 0.00 173.24 173.85 1wg1 s ASN 107 N -2.38 -0.28 0.03 5.45 0.01 -1.26 -4.97 114.94 111.53 1wg1 s ASN 107 Ca 0.69 -0.44 -0.27 0.00 -0.71 0.00 0.00 52.86 52.12 1wg1 s ASN 107 Cb -0.22 0.63 -0.15 0.00 0.41 0.00 0.00 41.25 41.92 1wg1 s ASN 107 CO 0.39 -1.14 1.22 0.00 -1.51 0.00 0.00 177.10 176.05 1wg1 n GLN 109 N -5.10 -0.05 0.09 0.00 1.13 -1.26 0.16 117.38 112.36 1wg1 n GLN 109 Ca -0.12 1.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.84 1wg1 n GLN 109 Cb 0.39 -1.81 -0.08 0.00 0.11 0.00 0.00 30.24 28.85 1wg1 n GLN 109 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1wg1 h GLU 110 N 0.00 -0.17 0.32 -1.09 4.39 -1.95 -2.89 114.58 113.19 1wg1 h GLU 110 Ca 0.59 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.28 1wg1 h GLU 110 Cb 1.50 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1wg1 h GLU 110 CO -0.59 0.00 -0.15 0.28 -1.16 0.00 0.00 179.01 177.38 1wg1 h VAL 111 N -0.32 0.61 -0.72 3.13 2.07 0.16 -2.85 116.25 118.34 1wg1 h VAL 111 Ca -0.02 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1wg1 h VAL 111 Cb 0.25 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1wg1 h VAL 111 CO 0.03 0.12 -0.43 1.57 0.02 0.00 0.00 177.57 178.88 1wg1 n HIS 112 N -5.11 -0.32 -0.29 1.57 -0.00 0.10 0.13 115.22 111.29 1wg1 n HIS 112 Ca -0.09 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.54 1wg1 n HIS 112 Cb 0.27 -0.55 0.13 0.00 -0.00 0.00 0.00 29.99 29.84 1wg1 n HIS 112 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1wg1 h ASP 113 N 0.00 0.76 0.06 0.26 5.19 -1.59 -1.51 116.42 119.60 1wg1 h ASP 113 Ca 0.12 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1wg1 h ASP 113 Cb 0.30 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 1wg1 h ASP 113 CO -0.68 0.48 -0.12 0.25 -3.12 0.00 0.00 179.24 176.05 1wg1 h LEU 114 N 0.89 -0.34 -2.34 1.55 5.85 0.13 -1.57 115.31 119.47 1wg1 h LEU 114 Ca 0.36 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 59.02 1wg1 h LEU 114 Cb 0.20 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1wg1 h LEU 114 CO -0.18 -0.18 0.13 0.18 -0.34 0.00 0.00 178.44 178.05 1wg1 n LEU 115 N -5.25 3.58 -0.17 2.25 4.77 0.85 -4.44 117.00 118.59 1wg1 n LEU 115 Ca -0.06 -1.84 -0.03 0.00 -0.03 0.00 0.00 56.01 54.05 1wg1 n LEU 115 Cb 0.17 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1wg1 n LEU 115 CO 0.29 0.56 0.76 0.07 -1.33 0.00 0.00 177.39 177.75 1wg1 h LYS 116 N 0.70 0.00 -0.97 3.23 2.10 -0.24 -0.89 116.57 120.50 1wg1 h LYS 116 Ca 0.13 -0.00 0.24 0.00 -2.00 0.00 0.00 60.65 59.02 1wg1 h LYS 116 Cb 1.37 -0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.52 1wg1 h LYS 116 CO 0.28 0.00 -0.04 -0.44 -2.00 0.00 0.00 179.45 177.26 1wg1 h ASP 117 N 0.00 -0.57 -3.32 7.07 3.32 -1.83 -3.38 116.42 117.71 1wg1 h ASP 117 Ca 0.25 0.28 -0.56 0.00 0.02 0.00 0.00 57.03 57.02 1wg1 h ASP 117 Cb 0.38 0.50 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 1wg1 h ASP 117 CO -0.53 -0.33 -0.13 -0.31 -1.72 0.00 0.00 179.24 176.22 1wg1 s TYR 118 N -6.08 3.54 -0.04 4.55 1.51 -0.34 -5.05 117.35 115.45 1wg1 s TYR 118 Ca -0.13 0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 56.57 1wg1 s TYR 118 Cb 0.28 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1wg1 s TYR 118 CO 0.78 0.39 1.14 0.34 -1.11 0.00 0.00 175.55 177.09 1wg1 s ASP 119 N -1.95 7.12 -0.15 2.29 2.15 -1.26 -4.92 116.67 119.95 1wg1 s ASP 119 Ca 0.40 1.78 -0.15 0.00 0.43 0.00 0.00 52.55 55.02 1wg1 s ASP 119 Cb -0.13 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 1wg1 s ASP 119 CO 0.20 -0.51 0.33 -0.76 -0.17 0.00 0.00 175.17 174.26 1wg1 s LEU 120 N 1.85 4.25 -0.24 -1.34 1.02 -1.26 -3.04 118.68 119.92 1wg1 s LEU 120 Ca 0.55 0.57 0.05 0.00 0.02 0.00 0.00 54.13 55.32 1wg1 s LEU 120 Cb -0.24 -2.44 -0.18 0.00 0.02 0.00 0.00 46.19 43.35 1wg1 s LEU 120 CO 0.23 0.08 -0.17 0.29 0.02 0.00 0.00 176.35 176.80 1wg1 n LYS 121 N 3.57 0.66 -3.63 1.70 5.02 -0.64 -5.02 118.16 119.82 1wg1 n LYS 121 Ca -0.11 0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1wg1 n LYS 121 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1wg1 s TYR 122 N -2.50 -0.83 -0.06 2.13 6.14 -1.25 -5.01 117.35 115.96 1wg1 s TYR 122 Ca -0.30 1.90 0.01 0.00 0.64 0.00 0.00 57.07 59.32 1wg1 s TYR 122 Cb 0.08 0.38 0.02 0.00 0.42 0.00 0.00 41.96 42.86 1wg1 s TYR 122 CO 0.62 -0.41 -0.08 0.00 0.64 0.00 0.00 175.55 176.32 1wg1 s TYR 124 N 0.86 2.34 -0.23 0.00 5.04 -0.77 -4.97 117.35 119.62 1wg1 s TYR 124 Ca -0.11 -2.07 -0.23 0.00 -2.44 0.00 0.00 57.07 52.22 1wg1 s TYR 124 Cb -0.15 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.13 1wg1 s TYR 124 CO 0.01 -0.88 0.75 0.08 -1.34 0.00 0.00 175.55 174.17 1wg1 s VAL 125 N 1.40 4.91 -0.58 3.14 1.01 -1.26 -1.23 120.40 127.78 1wg1 s VAL 125 Ca 0.08 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.48 1wg1 s VAL 125 Cb -0.18 -4.05 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1wg1 s VAL 125 CO -0.18 -0.00 0.36 -1.81 0.00 0.00 0.00 175.10 173.47 1wg1 s ASP 126 N 1.32 4.71 0.24 3.32 1.01 0.12 -4.95 116.67 122.44 1wg1 s ASP 126 Ca 0.32 -3.05 -0.05 0.00 0.71 0.00 0.00 52.55 50.49 1wg1 s ASP 126 Cb -0.16 -1.72 0.40 0.00 1.01 0.00 0.00 42.92 42.45 1wg1 s ASP 126 CO 0.09 -0.26 1.79 0.08 0.21 0.00 0.00 175.17 177.07 1wg1 h ARG 127 N 6.58 0.68 -0.91 8.23 0.11 -1.94 0.52 114.38 127.65 1wg1 h ARG 127 Ca -0.03 -0.04 0.26 0.00 0.10 0.00 0.00 59.98 60.26 1wg1 h ARG 127 Cb 0.90 -0.15 -0.16 0.00 1.11 0.00 0.00 29.97 31.67 1wg1 h ARG 127 CO 0.70 0.45 0.17 -0.91 0.10 0.00 0.00 179.97 180.49 1wg1 h ASN 128 N 0.70 -0.16 -0.26 0.08 2.35 -1.95 0.33 115.58 116.67 1wg1 h ASN 128 Ca 0.39 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.37 1wg1 h ASN 128 Cb 0.41 0.35 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1wg1 h ASN 128 CO -0.27 -0.25 0.00 0.29 -1.65 0.00 0.00 177.43 175.55 1wg1 n LYS 129 N -5.33 2.82 -4.33 0.81 4.76 -0.65 -4.98 118.16 111.26 1wg1 n LYS 129 Ca 0.23 -2.40 -0.33 0.00 -2.87 0.00 0.00 58.31 52.94 1wg1 n LYS 129 Cb 0.74 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 1wg1 n LYS 129 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wg1 n ARG 130 N -0.12 -1.22 -4.34 1.97 1.74 0.17 -4.93 116.66 109.94 1wg1 n ARG 130 Ca 0.15 0.14 -0.20 0.00 -0.77 0.00 0.00 57.85 57.18 1wg1 n ARG 130 Cb 0.63 -3.99 -0.15 0.00 -1.02 0.00 0.00 32.46 27.93 1wg1 n ARG 130 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wg1 s THR 131 N -4.05 0.70 -0.22 0.55 2.01 -0.58 -3.80 115.64 110.26 1wg1 s THR 131 Ca 0.22 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1wg1 s THR 131 Cb -0.13 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.80 1wg1 s THR 131 CO 0.99 0.22 -0.12 0.00 -0.69 0.00 0.00 174.62 175.02 1wg1 s ALA 132 N 0.18 2.32 -0.56 7.40 0.00 -0.59 0.10 121.76 130.62 1wg1 s ALA 132 Ca -0.03 -1.47 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 1wg1 s ALA 132 Cb -0.08 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1wg1 s ALA 132 CO 0.00 -0.91 1.12 -0.06 0.00 0.00 0.00 175.76 175.91 1wg1 s PHE 133 N 1.24 2.68 -0.15 0.00 0.08 -0.37 -0.96 117.98 120.51 1wg1 s PHE 133 Ca -0.04 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.31 1wg1 s PHE 133 Cb -0.17 -4.38 -0.03 0.00 -0.57 0.00 0.00 43.02 37.86 1wg1 s PHE 133 CO -0.08 -1.48 0.00 0.08 -0.10 0.00 0.00 175.22 173.64 1wg1 s VAL 134 N 4.62 4.27 -0.38 -0.44 1.01 -0.81 -1.85 120.40 126.81 1wg1 s VAL 134 Ca 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1wg1 s VAL 134 Cb -0.09 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.51 1wg1 s VAL 134 CO 0.25 0.51 0.17 -0.89 0.00 0.00 0.00 175.10 175.13 1wg1 s THR 135 N 0.07 3.40 1.11 3.92 2.01 -0.74 -0.81 115.64 124.60 1wg1 s THR 135 Ca 0.02 -1.77 -0.18 0.00 0.31 0.00 0.00 61.69 60.07 1wg1 s THR 135 Cb -0.13 -3.19 0.26 0.00 0.01 0.00 0.00 72.50 69.45 1wg1 s THR 135 CO 0.02 -0.52 1.21 -0.76 -0.69 0.00 0.00 174.62 173.89 1wg1 s LEU 136 N 1.22 1.57 -0.03 4.42 1.43 -1.26 -1.62 118.68 124.40 1wg1 s LEU 136 Ca 0.04 0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 1wg1 s LEU 136 Cb -0.22 -2.24 -0.11 0.00 0.03 0.00 0.00 46.19 43.65 1wg1 s LEU 136 CO -0.02 -3.58 0.73 0.25 0.23 0.00 0.00 176.35 173.96 1wg1 h LEU 137 N -2.22 -0.42 -9.56 1.79 5.85 -1.93 -3.42 115.31 105.41 1wg1 h LEU 137 Ca -0.44 -0.07 -0.58 0.00 0.84 0.00 0.00 57.88 57.63 1wg1 h LEU 137 Cb 1.26 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.27 1wg1 h LEU 137 CO 0.33 0.04 -0.52 0.54 -0.34 0.00 0.00 178.44 178.48 1wg1 s ASN 138 N -5.03 3.07 -0.08 1.25 2.20 -1.26 -4.96 114.94 110.13 1wg1 s ASN 138 Ca -0.10 -1.64 -0.19 0.00 -0.94 0.00 0.00 52.86 50.00 1wg1 s ASN 138 Cb 0.01 0.44 -0.15 0.00 -2.00 0.00 0.00 41.25 39.55 1wg1 s ASN 138 CO 0.31 -0.88 0.69 1.23 -2.94 0.00 0.00 177.10 175.51 1wg1 h GLY 139 N 1.72 -0.13 -0.85 0.45 0.00 -1.76 -3.30 103.07 99.20 1wg1 h GLY 139 Ca -0.38 0.05 0.28 0.00 0.00 0.00 0.00 47.33 47.28 1wg1 h GLY 139 CO 0.62 -0.05 0.17 1.18 0.00 0.00 0.00 176.54 178.46 1wg1 n GLU 140 N -4.83 -0.06 -0.07 4.80 -0.58 -1.26 0.15 120.64 118.79 1wg1 n GLU 140 Ca -0.07 1.24 -0.09 0.00 -0.42 0.00 0.00 57.16 57.82 1wg1 n GLU 140 Cb 0.26 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 29.07 1wg1 n GLU 140 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1wg1 h GLN 141 N 0.00 0.25 0.20 3.49 4.20 -1.98 -3.08 115.11 118.19 1wg1 h GLN 141 Ca 0.59 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 1wg1 h GLN 141 Cb 1.36 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1wg1 h GLN 141 CO -0.75 0.16 -0.10 0.00 -0.67 0.00 0.00 178.83 177.48 1wg1 h ALA 142 N 1.14 -0.27 -1.04 3.87 0.00 0.13 0.05 119.26 123.13 1wg1 h ALA 142 Ca 0.11 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.20 1wg1 h ALA 142 Cb 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1wg1 h ALA 142 CO -0.08 -0.48 0.67 1.04 0.00 0.00 0.00 179.25 180.40 1wg1 n GLN 143 N -5.06 -0.03 -0.08 0.00 1.13 0.25 -0.29 117.38 113.30 1wg1 n GLN 143 Ca -0.09 0.95 -0.07 0.00 -1.94 0.00 0.00 57.00 55.85 1wg1 n GLN 143 Cb 0.24 -1.87 -0.02 0.00 0.11 0.00 0.00 30.24 28.69 1wg1 n GLN 143 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wg1 n ASN 144 N -4.20 1.88 -0.64 1.08 3.02 -1.16 -4.11 115.26 111.13 1wg1 n ASN 144 Ca 0.31 0.48 0.49 0.00 -0.03 0.00 0.00 54.58 55.82 1wg1 n ASN 144 Cb 1.19 -0.80 0.76 0.00 -0.61 0.00 0.00 39.78 40.31 1wg1 n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wg1 n ALA 145 N -4.07 1.72 0.24 5.41 0.00 -0.01 0.12 120.51 123.93 1wg1 n ALA 145 Ca -0.11 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1wg1 n ALA 145 Cb 0.40 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1wg1 n ALA 145 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wg1 h ILE 146 N 0.00 0.20 -0.43 0.00 2.04 -0.84 0.86 117.51 119.34 1wg1 h ILE 146 Ca 0.89 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 66.19 1wg1 h ILE 146 Cb 3.44 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1wg1 h ILE 146 CO -0.09 0.04 0.07 -0.61 0.00 0.00 0.00 178.15 177.56 1wg1 h GLN 147 N -1.09 0.65 0.28 2.37 -0.00 -0.47 0.42 115.11 117.26 1wg1 h GLN 147 Ca -0.07 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.44 1wg1 h GLN 147 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.96 1wg1 h GLN 147 CO 0.11 0.61 -0.14 0.52 0.00 0.00 0.00 178.83 179.94 1wg1 h MET 148 N 0.63 -0.36 -0.12 1.69 2.86 -0.68 -3.31 114.93 115.63 1wg1 h MET 148 Ca 0.14 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1wg1 h MET 148 Cb 0.28 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wg1 h MET 148 CO 0.00 -0.02 0.01 0.74 1.06 0.00 0.00 176.91 178.70 1wg1 h PHE 149 N -0.80 0.23 -0.59 -0.22 -1.00 -0.75 -3.45 116.94 110.36 1wg1 h PHE 149 Ca -0.04 -0.04 -0.48 0.00 2.81 0.00 0.00 57.97 60.23 1wg1 h PHE 149 Cb 0.51 -0.06 0.02 0.00 3.61 0.00 0.00 35.95 40.03 1wg1 h PHE 149 CO 0.04 0.42 0.12 1.58 -1.61 0.00 0.00 178.31 178.86 1wg1 n HIS 150 N -4.81 0.53 -3.15 -0.55 -0.00 0.15 -0.27 115.22 107.12 1wg1 n HIS 150 Ca -0.06 0.64 -0.14 0.00 0.46 0.00 0.00 57.72 58.62 1wg1 n HIS 150 Cb 0.19 -1.25 0.05 0.00 -0.12 0.00 0.00 29.99 28.86 1wg1 n HIS 150 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wg1 n GLN 151 N 1.23 -4.71 -2.63 1.57 1.13 -0.91 -4.96 117.38 108.10 1wg1 n GLN 151 Ca 0.13 0.49 -0.27 0.00 -1.94 0.00 0.00 57.00 55.41 1wg1 n GLN 151 Cb 0.03 -4.50 -0.00 0.00 0.11 0.00 0.00 30.24 25.88 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1wg1 s TYR 152 N -3.19 3.56 -0.56 1.08 5.04 0.63 -4.90 117.35 119.01 1wg1 s TYR 152 Ca 0.34 0.81 -0.21 0.00 -2.44 0.00 0.00 57.07 55.57 1wg1 s TYR 152 Cb -0.15 -2.31 0.06 0.00 0.35 0.00 0.00 41.96 39.91 1wg1 s TYR 152 CO 0.43 -0.29 0.78 0.45 -1.34 0.00 0.00 175.55 175.57 1wg1 s SER 153 N -4.11 6.24 -0.20 4.32 0.15 -1.26 -3.44 113.70 115.39 1wg1 s SER 153 Ca 0.48 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1wg1 s SER 153 Cb -0.10 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 61.95 1wg1 s SER 153 CO 0.45 -1.11 0.22 0.12 1.20 0.00 0.00 173.24 174.12 1wg1 s PHE 154 N 3.22 -0.28 -1.30 3.44 5.36 -1.09 -4.89 117.98 122.43 1wg1 s PHE 154 Ca 0.19 0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 56.38 1wg1 s PHE 154 Cb -0.18 -0.35 0.01 0.00 -0.34 0.00 0.00 43.02 42.16 1wg1 s PHE 154 CO 0.12 -0.58 1.01 0.54 -1.46 0.00 0.00 175.22 174.85 1wg1 n ARG 155 N 5.32 -6.70 -2.26 10.12 5.12 -1.26 -1.54 116.66 125.46 1wg1 n ARG 155 Ca -0.05 0.78 -0.14 0.00 -1.93 0.00 0.00 57.85 56.51 1wg1 n ARG 155 Cb 0.50 -5.73 -0.02 0.00 -1.16 0.00 0.00 32.46 26.05 1wg1 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wg1 n GLY 156 N -1.55 -0.20 3.26 -0.13 0.00 -1.26 -4.94 105.19 100.37 1wg1 n GLY 156 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1wg1 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wg1 s LYS 157 N -4.73 1.09 -1.13 1.61 -0.14 -0.59 -5.08 119.74 110.77 1wg1 s LYS 157 Ca 0.00 -1.31 -0.08 0.00 -1.36 0.00 0.00 55.97 53.21 1wg1 s LYS 157 Cb 0.00 -0.96 0.27 0.00 -1.68 0.00 0.00 37.83 35.46 1wg1 s LYS 157 CO 0.00 0.18 1.26 -0.25 -0.76 0.00 0.00 175.35 175.78 1wg1 n ASP 158 N 0.36 5.67 -4.61 2.83 9.92 -1.26 -2.66 116.55 126.79 1wg1 n ASP 158 Ca -0.14 -3.11 -0.58 0.00 -0.53 0.00 0.00 54.79 50.43 1wg1 n ASP 158 Cb 0.58 -1.38 -0.07 0.00 -0.64 0.00 0.00 41.12 39.60 1wg1 n ASP 158 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wg1 n LEU 159 N 2.75 1.26 -4.56 0.64 4.77 -1.22 -4.59 117.00 116.05 1wg1 n LEU 159 Ca 0.26 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.98 1wg1 n LEU 159 Cb 0.38 -1.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.31 1wg1 n LEU 159 CO 0.55 -1.13 -0.13 -0.63 -1.33 0.00 0.00 177.39 174.71 1wg1 s ILE 160 N 1.35 5.29 -0.18 -0.08 -1.09 0.72 -2.15 121.20 125.06 1wg1 s ILE 160 Ca 0.92 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 59.25 1wg1 s ILE 160 Cb -1.15 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.05 1wg1 s ILE 160 CO 0.59 0.09 0.01 -0.69 -1.23 0.00 0.00 174.94 173.71 1wg1 s VAL 161 N 1.75 4.25 0.33 2.92 1.01 -1.26 -0.56 120.40 128.84 1wg1 s VAL 161 Ca 0.07 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1wg1 s VAL 161 Cb -0.17 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1wg1 s VAL 161 CO 0.11 0.46 0.10 -1.10 0.00 0.00 0.00 175.10 174.67 1wg1 s GLN 162 N 0.52 1.66 -0.19 2.72 -1.52 -0.86 -4.79 119.66 117.20 1wg1 s GLN 162 Ca -0.00 -1.95 -0.07 0.00 -1.95 0.00 0.00 55.36 51.39 1wg1 s GLN 162 Cb -0.14 -0.53 -0.04 0.00 -0.22 0.00 0.00 33.01 32.09 1wg1 s GLN 162 CO 0.02 -0.33 0.05 -1.17 -0.25 0.00 0.00 175.29 173.60 1wg1 s LEU 163 N -3.46 3.69 0.35 2.90 2.96 -1.26 0.15 118.68 124.01 1wg1 s LEU 163 Ca 0.33 0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.99 1wg1 s LEU 163 Cb 0.06 -1.93 -0.12 0.00 0.50 0.00 0.00 46.19 44.70 1wg1 s LEU 163 CO 0.15 0.15 1.27 0.00 -1.32 0.00 0.00 176.35 176.60 1wg1 n GLN 164 N 3.68 2.05 -2.06 1.98 6.02 -1.17 -4.83 117.38 123.04 1wg1 n GLN 164 Ca -0.17 0.72 -0.27 0.00 -0.01 0.00 0.00 57.00 57.27 1wg1 n GLN 164 Cb 0.52 -2.31 -0.05 0.00 1.02 0.00 0.00 30.24 29.42 1wg1 n GLN 164 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wg1 s PRO 165 N -1.92 2.54 -0.36 -1.09 0.04 -1.26 -4.90 135.00 128.05 1wg1 s PRO 165 Ca 0.57 -0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.10 1wg1 s PRO 165 Cb -0.56 -5.11 0.10 0.00 0.04 0.00 0.00 34.50 28.97 1wg1 s PRO 165 CO 0.61 -3.53 0.10 0.99 0.04 0.00 0.00 177.00 175.21 1wg1 s THR 166 N 10.30 2.62 -0.02 1.26 2.01 -1.26 -4.97 115.64 125.58 1wg1 s THR 166 Ca 0.70 -2.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 1wg1 s THR 166 Cb -0.05 -2.88 -0.18 0.00 0.01 0.00 0.00 72.50 69.40 1wg1 s THR 166 CO 0.03 -0.63 1.14 -0.78 -0.69 0.00 0.00 174.62 173.70 1wg1 h ASP 167 N 7.76 -0.15 -3.33 3.53 1.82 -2.02 -3.45 116.42 120.59 1wg1 h ASP 167 Ca -0.07 -0.36 -0.17 0.00 -0.39 0.00 0.00 57.03 56.04 1wg1 h ASP 167 Cb 1.03 0.04 -0.29 0.00 0.68 0.00 0.00 39.33 40.79 1wg1 h ASP 167 CO 0.58 0.33 -0.42 0.00 -1.61 0.00 0.00 179.24 178.11 1wg1 s ALA 168 N -4.24 -0.72 -0.33 -0.78 0.00 -1.26 -5.03 121.76 109.40 1wg1 s ALA 168 Ca -0.14 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.01 1wg1 s ALA 168 Cb 0.01 -0.72 0.47 0.00 0.00 0.00 0.00 23.12 22.88 1wg1 s ALA 168 CO 0.58 -0.22 1.60 1.47 0.00 0.00 0.00 175.76 179.19 1wg1 n LEU 169 N 4.19 5.42 -4.26 0.00 -0.00 -1.26 -4.90 117.00 116.19 1wg1 n LEU 169 Ca -0.24 -2.85 -0.17 0.00 -0.00 0.00 0.00 56.01 52.74 1wg1 n LEU 169 Cb 0.54 -0.72 -0.09 0.00 -0.00 0.00 0.00 43.42 43.15 1wg1 n LEU 169 CO 0.12 0.83 -0.16 -0.76 -0.00 0.00 0.00 177.39 177.42 1wg1 s LEU 170 N -2.22 1.54 0.17 1.47 1.43 -1.26 -5.13 118.68 114.68 1wg1 s LEU 170 Ca 0.39 -1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 51.57 1wg1 s LEU 170 Cb 0.32 0.45 -0.09 0.00 0.03 0.00 0.00 46.19 46.91 1wg1 s LEU 170 CO 0.08 -0.97 1.34 0.00 0.23 0.00 0.00 176.35 177.03 1wg1 s SER 172 N 0.58 -0.54 0.00 0.00 0.15 -1.26 -5.18 113.70 107.46 1wg1 s SER 172 Ca 0.59 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1wg1 s SER 172 Cb -0.37 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wg1 s SER 172 CO 0.36 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1wg1 n GLY 173 N 2.38 3.77 3.61 9.45 0.00 -1.26 -5.10 105.19 118.04 1wg1 n GLY 173 Ca -0.13 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1wg1 n GLY 173 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg1 s PRO 174 N -1.70 3.60 -0.02 1.61 0.04 -1.26 -4.99 135.00 132.29 1wg1 s PRO 174 Ca 0.00 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1wg1 s PRO 174 Cb 0.00 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 1wg1 s PRO 174 CO 0.00 -1.53 -0.11 -1.54 0.04 0.00 0.00 177.00 173.86 1wg1 s SER 175 N 4.85 1.33 -0.72 6.66 1.04 -1.26 -5.09 113.70 120.51 1wg1 s SER 175 Ca 0.73 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.99 1wg1 s SER 175 Cb -0.23 -0.22 0.17 0.00 0.10 0.00 0.00 66.02 65.85 1wg1 s SER 175 CO 0.31 0.12 0.52 -0.55 0.98 0.00 0.00 173.24 174.62 1wg1 s SER 176 N -0.12 5.03 0.00 7.02 0.15 -1.26 -5.31 113.70 119.21 1wg1 s SER 176 Ca 0.02 -3.67 0.00 0.00 0.70 0.00 0.00 55.95 53.00 1wg1 s SER 176 Cb -0.06 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1wg1 s SER 176 CO -0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91