#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 5.40 0.93 1.61 1.04 -1.26 -4.96 113.70 116.46 1wg1 s SER 91 Ca 0.00 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1wg1 s SER 91 Cb 0.00 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1wg1 s SER 91 CO 0.00 -2.36 0.80 -1.54 0.98 0.00 0.00 173.24 171.12 1wg1 n SER 92 N 12.45 -0.79 -2.75 7.02 3.41 -1.26 -5.01 113.62 126.70 1wg1 n SER 92 Ca 0.23 0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 59.16 1wg1 n SER 92 Cb 0.50 -1.35 0.04 0.00 -0.26 0.00 0.00 64.21 63.14 1wg1 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg1 n GLY 93 N 0.85 -0.25 3.63 5.00 0.00 -1.26 -5.05 105.19 108.11 1wg1 n GLY 93 Ca 0.10 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 1wg1 n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg1 s SER 94 N -0.86 6.36 0.44 1.61 1.04 -1.26 -4.02 113.70 117.01 1wg1 s SER 94 Ca 0.31 1.59 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 1wg1 s SER 94 Cb 0.16 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 1wg1 s SER 94 CO -0.18 -1.28 0.68 -0.94 0.98 0.00 0.00 173.24 172.51 1wg1 s SER 95 N 4.28 6.10 0.00 7.02 1.04 -1.26 -4.65 113.70 126.22 1wg1 s SER 95 Ca 0.71 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1wg1 s SER 95 Cb -0.24 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1wg1 s SER 95 CO 0.29 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wg1 n GLY 96 N -2.08 2.94 3.04 7.32 0.00 -1.26 -4.76 105.19 110.39 1wg1 n GLY 96 Ca -0.01 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.89 0.24 -0.15 -0.61 -4.36 -0.48 -2.78 121.20 111.18 1wg1 s ILE 97 Ca 0.00 -1.31 -0.04 0.00 -0.26 0.00 0.00 60.65 59.03 1wg1 s ILE 97 Cb 0.00 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.84 1wg1 s ILE 97 CO 0.00 -0.69 -0.01 -0.76 0.24 0.00 0.00 174.94 173.73 1wg1 s LEU 98 N -2.09 3.44 -0.61 0.37 1.43 0.10 -2.13 118.68 119.19 1wg1 s LEU 98 Ca -0.05 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1wg1 s LEU 98 Cb -0.03 -1.83 0.15 0.00 0.03 0.00 0.00 46.19 44.51 1wg1 s LEU 98 CO -0.04 0.20 0.58 -0.69 0.23 0.00 0.00 176.35 176.63 1wg1 s VAL 99 N 0.18 5.27 0.20 -1.59 1.01 0.09 -2.05 120.40 123.52 1wg1 s VAL 99 Ca 0.00 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.36 1wg1 s VAL 99 Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1wg1 s VAL 99 CO 0.02 -0.93 0.08 -0.54 0.00 0.00 0.00 175.10 173.73 1wg1 s LYS 100 N 1.35 2.63 -0.36 2.72 1.02 -0.56 -1.60 119.74 124.95 1wg1 s LYS 100 Ca 0.07 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 54.99 1wg1 s LYS 100 Cb -0.25 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1wg1 s LYS 100 CO 0.00 0.44 0.30 -1.71 -0.92 0.00 0.00 175.35 173.47 1wg1 n ASN 101 N -0.51 -2.21 -4.90 2.83 5.15 -1.26 -0.52 115.26 113.85 1wg1 n ASN 101 Ca -0.08 -0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.43 1wg1 n ASN 101 Cb 0.56 -1.86 -0.02 0.00 -0.53 0.00 0.00 39.78 37.93 1wg1 n ASN 101 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wg1 s LEU 102 N -3.22 3.84 0.00 1.20 1.43 -1.21 -4.30 118.68 116.42 1wg1 s LEU 102 Ca 0.03 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1wg1 s LEU 102 Cb -0.01 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1wg1 s LEU 102 CO 0.21 -0.40 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 1wg1 n PRO 103 N -1.53 0.09 -0.02 1.29 -0.04 -1.26 -4.98 135.00 128.55 1wg1 n PRO 103 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1wg1 n PRO 103 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 1wg1 n PRO 103 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wg1 n GLN 104 N -0.68 0.64 -1.30 0.54 -0.06 -1.26 -4.13 117.38 111.13 1wg1 n GLN 104 Ca 0.00 0.30 -0.21 0.00 -2.00 0.00 0.00 57.00 55.09 1wg1 n GLN 104 Cb 0.00 -1.79 0.12 0.00 -4.06 0.00 0.00 30.24 24.51 1wg1 n GLN 104 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1wg1 n ASP 105 N -3.10 4.71 -4.78 1.69 8.00 -1.26 -5.03 116.55 116.79 1wg1 n ASP 105 Ca -0.18 -3.76 -0.34 0.00 0.71 0.00 0.00 54.79 51.22 1wg1 n ASP 105 Cb 1.05 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1wg1 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wg1 s SER 106 N -2.40 5.73 0.08 -2.24 0.15 -1.26 -5.06 113.70 108.71 1wg1 s SER 106 Ca 0.54 2.07 -0.23 0.00 0.70 0.00 0.00 55.95 59.02 1wg1 s SER 106 Cb 0.45 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 62.25 1wg1 s SER 106 CO 0.02 -1.21 0.56 0.20 1.20 0.00 0.00 173.24 174.01 1wg1 s ASN 107 N -2.05 -0.50 0.03 5.45 0.01 -1.26 -5.04 114.94 111.58 1wg1 s ASN 107 Ca 0.70 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 52.67 1wg1 s ASN 107 Cb -0.21 0.54 -0.17 0.00 0.41 0.00 0.00 41.25 41.81 1wg1 s ASN 107 CO 0.29 -0.81 1.32 0.00 -1.51 0.00 0.00 177.10 176.39 1wg1 n GLN 109 N -5.47 -0.03 -0.03 0.00 6.02 -1.26 0.20 117.38 116.81 1wg1 n GLN 109 Ca -0.13 0.95 -0.14 0.00 -0.01 0.00 0.00 57.00 57.67 1wg1 n GLN 109 Cb 0.41 -1.86 -0.10 0.00 1.02 0.00 0.00 30.24 29.71 1wg1 n GLN 109 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1wg1 h GLU 110 N 0.00 0.13 -0.76 -1.09 4.57 -1.94 -3.23 114.58 112.26 1wg1 h GLU 110 Ca 0.66 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.70 1wg1 h GLU 110 Cb 2.08 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.66 1wg1 h GLU 110 CO -0.38 0.74 0.32 0.28 -1.18 0.00 0.00 179.01 178.80 1wg1 h VAL 111 N -0.45 1.25 -0.14 0.32 2.07 0.25 -2.87 116.25 116.68 1wg1 h VAL 111 Ca -0.01 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1wg1 h VAL 111 Cb 0.76 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1wg1 h VAL 111 CO 0.02 0.32 -0.35 -0.74 0.02 0.00 0.00 177.57 176.84 1wg1 h HIS 112 N 1.09 -1.06 -0.90 1.57 -0.00 -0.67 0.97 115.15 116.15 1wg1 h HIS 112 Ca 0.26 0.04 0.15 0.00 -0.00 0.00 0.00 60.37 60.82 1wg1 h HIS 112 Cb 0.19 0.48 -0.10 0.00 -0.00 0.00 0.00 27.41 27.98 1wg1 h HIS 112 CO 0.02 -0.34 0.50 0.22 -0.00 0.00 0.00 177.93 178.33 1wg1 h ASP 113 N -0.34 0.64 0.14 3.26 3.58 -1.57 -1.85 116.42 120.28 1wg1 h ASP 113 Ca 0.03 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1wg1 h ASP 113 Cb 0.42 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1wg1 h ASP 113 CO -0.31 0.27 -0.22 0.25 -2.88 0.00 0.00 179.24 176.35 1wg1 h LEU 114 N 0.70 -0.61 -3.37 2.28 5.85 -0.95 -2.13 115.31 117.09 1wg1 h LEU 114 Ca 0.49 0.07 -0.27 0.00 0.84 0.00 0.00 57.88 59.01 1wg1 h LEU 114 Cb 0.69 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.83 1wg1 h LEU 114 CO -0.35 -0.31 0.35 0.18 -0.34 0.00 0.00 178.44 177.97 1wg1 n LEU 115 N -5.34 6.20 -0.14 2.25 4.77 0.20 -4.48 117.00 120.46 1wg1 n LEU 115 Ca -0.07 -3.12 -0.08 0.00 -0.03 0.00 0.00 56.01 52.71 1wg1 n LEU 115 Cb 0.25 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1wg1 n LEU 115 CO 0.27 1.17 0.99 0.07 -1.33 0.00 0.00 177.39 178.56 1wg1 h LYS 116 N 1.35 0.60 -0.81 3.23 2.10 -0.95 -2.81 116.57 119.27 1wg1 h LYS 116 Ca 0.24 -0.08 0.20 0.00 -2.00 0.00 0.00 60.65 59.02 1wg1 h LYS 116 Cb 0.97 -0.12 -0.13 0.00 -0.90 0.00 0.00 32.23 32.05 1wg1 h LYS 116 CO 0.63 0.49 0.12 -0.44 -2.00 0.00 0.00 179.45 178.26 1wg1 h ASP 117 N 0.55 -0.16 -3.20 7.07 3.32 -1.84 -3.39 116.42 118.77 1wg1 h ASP 117 Ca 0.15 0.19 -0.58 0.00 0.02 0.00 0.00 57.03 56.81 1wg1 h ASP 117 Cb 0.07 0.30 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1wg1 h ASP 117 CO -0.02 -0.15 -0.14 -0.31 -1.72 0.00 0.00 179.24 176.90 1wg1 s TYR 118 N -6.03 3.66 -0.15 4.55 1.51 -1.06 -5.04 117.35 114.78 1wg1 s TYR 118 Ca -0.13 1.02 -0.29 0.00 -1.01 0.00 0.00 57.07 56.66 1wg1 s TYR 118 Cb 0.24 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1wg1 s TYR 118 CO 0.76 0.52 1.23 -0.51 -1.11 0.00 0.00 175.55 176.44 1wg1 s ASP 119 N -1.50 6.98 -0.16 2.29 1.01 -1.26 -4.92 116.67 119.11 1wg1 s ASP 119 Ca 0.32 1.68 -0.16 0.00 0.71 0.00 0.00 52.55 55.11 1wg1 s ASP 119 Cb -0.16 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1wg1 s ASP 119 CO 0.18 -0.72 0.37 -0.76 0.21 0.00 0.00 175.17 174.45 1wg1 s LEU 120 N 3.24 4.23 -0.23 1.23 1.02 -1.26 -3.08 118.68 123.82 1wg1 s LEU 120 Ca 0.54 0.60 -0.08 0.00 0.02 0.00 0.00 54.13 55.21 1wg1 s LEU 120 Cb -0.21 -2.50 -0.18 0.00 0.02 0.00 0.00 46.19 43.31 1wg1 s LEU 120 CO 0.15 0.02 -0.07 0.29 0.02 0.00 0.00 176.35 176.76 1wg1 n LYS 121 N 3.84 0.64 -3.74 1.70 4.76 -0.09 -5.02 118.16 120.26 1wg1 n LYS 121 Ca -0.09 0.27 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1wg1 n LYS 121 Cb 0.52 -1.59 -0.09 0.00 -1.84 0.00 0.00 35.03 32.03 1wg1 n LYS 121 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wg1 s TYR 122 N -2.50 -0.31 -0.02 2.13 5.04 -1.26 -5.00 117.35 115.44 1wg1 s TYR 122 Ca -0.33 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1wg1 s TYR 122 Cb 0.10 0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.57 1wg1 s TYR 122 CO 0.60 -0.33 0.02 0.00 -1.34 0.00 0.00 175.55 174.51 1wg1 s TYR 124 N 0.93 0.40 0.11 0.00 6.14 -0.80 -4.97 117.35 119.17 1wg1 s TYR 124 Ca -0.08 -0.39 -0.13 0.00 0.64 0.00 0.00 57.07 57.12 1wg1 s TYR 124 Cb -0.11 -0.76 -0.06 0.00 0.42 0.00 0.00 41.96 41.44 1wg1 s TYR 124 CO -0.02 -0.50 0.48 0.08 0.64 0.00 0.00 175.55 176.23 1wg1 s VAL 125 N 2.07 4.96 0.10 3.14 1.01 -1.26 -0.95 120.40 129.46 1wg1 s VAL 125 Ca 0.02 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.76 1wg1 s VAL 125 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1wg1 s VAL 125 CO -0.08 0.29 -0.16 -0.62 0.00 0.00 0.00 175.10 174.53 1wg1 s ASP 126 N -1.68 3.99 -0.09 3.32 -1.08 0.21 -4.95 116.67 116.39 1wg1 s ASP 126 Ca 0.35 -0.49 0.16 0.00 -0.52 0.00 0.00 52.55 52.05 1wg1 s ASP 126 Cb -0.15 -0.63 -0.24 0.00 -1.46 0.00 0.00 42.92 40.44 1wg1 s ASP 126 CO 0.18 0.20 0.23 -2.11 0.52 0.00 0.00 175.17 174.19 1wg1 n ARG 127 N 0.96 0.91 -0.02 4.34 -4.01 -1.26 -2.85 116.66 114.72 1wg1 n ARG 127 Ca -0.15 -0.09 -0.16 0.00 -1.04 0.00 0.00 57.85 56.41 1wg1 n ARG 127 Cb 0.52 -1.42 -0.10 0.00 -3.04 0.00 0.00 32.46 28.43 1wg1 n ARG 127 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 1wg1 h ASN 128 N 0.00 0.51 -0.25 2.89 -1.24 -1.96 -3.31 115.58 112.22 1wg1 h ASN 128 Ca -0.20 -0.69 0.00 0.00 0.71 0.00 0.00 56.30 56.12 1wg1 h ASN 128 Cb 1.36 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1wg1 h ASN 128 CO 0.01 1.12 0.00 0.29 -1.29 0.00 0.00 177.43 177.56 1wg1 n LYS 129 N -4.30 2.78 -3.98 6.67 5.02 -1.26 -4.99 118.16 118.10 1wg1 n LYS 129 Ca -0.09 -2.33 -0.28 0.00 -2.02 0.00 0.00 58.31 53.60 1wg1 n LYS 129 Cb 0.59 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1wg1 n LYS 129 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wg1 n ARG 130 N -0.14 -0.84 -4.52 1.97 5.12 -1.13 -4.80 116.66 112.31 1wg1 n ARG 130 Ca 0.14 0.05 -0.21 0.00 -1.93 0.00 0.00 57.85 55.90 1wg1 n ARG 130 Cb 0.60 -2.69 -0.14 0.00 -1.16 0.00 0.00 32.46 29.06 1wg1 n ARG 130 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wg1 s THR 131 N -4.07 1.13 -0.11 0.55 2.01 -1.18 -3.29 115.64 110.69 1wg1 s THR 131 Ca 0.08 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1wg1 s THR 131 Cb -0.04 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1wg1 s THR 131 CO 0.81 0.18 -0.20 0.00 -0.69 0.00 0.00 174.62 174.72 1wg1 s ALA 132 N -0.56 1.96 -0.22 7.40 0.00 -0.62 0.64 121.76 130.36 1wg1 s ALA 132 Ca 0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 1wg1 s ALA 132 Cb -0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1wg1 s ALA 132 CO 0.00 0.11 0.38 -0.06 0.00 0.00 0.00 175.76 176.19 1wg1 s PHE 133 N 0.64 3.34 -0.06 0.00 0.08 -0.12 -0.73 117.98 121.13 1wg1 s PHE 133 Ca -0.13 0.54 0.05 0.00 0.12 0.00 0.00 56.93 57.52 1wg1 s PHE 133 Cb -0.16 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1wg1 s PHE 133 CO 0.03 -0.05 -0.23 0.08 -0.10 0.00 0.00 175.22 174.95 1wg1 s VAL 134 N 1.46 2.22 -0.38 -0.44 1.01 -0.91 -1.90 120.40 121.47 1wg1 s VAL 134 Ca 0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1wg1 s VAL 134 Cb -0.15 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.48 1wg1 s VAL 134 CO 0.08 0.57 0.18 -0.89 0.00 0.00 0.00 175.10 175.04 1wg1 s THR 135 N -0.16 3.86 1.05 3.92 2.01 -0.79 -1.38 115.64 124.15 1wg1 s THR 135 Ca -0.03 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.39 1wg1 s THR 135 Cb -0.14 -3.33 0.24 0.00 0.01 0.00 0.00 72.50 69.28 1wg1 s THR 135 CO 0.04 -0.40 1.28 -0.76 -0.69 0.00 0.00 174.62 174.09 1wg1 s LEU 136 N 1.36 2.16 -0.09 4.42 1.43 -1.26 -0.91 118.68 125.79 1wg1 s LEU 136 Ca 0.02 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1wg1 s LEU 136 Cb -0.22 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1wg1 s LEU 136 CO 0.01 -3.22 -0.04 0.25 0.23 0.00 0.00 176.35 173.58 1wg1 h LEU 137 N -1.98 0.00 -9.42 1.79 5.85 -1.94 -3.43 115.31 106.19 1wg1 h LEU 137 Ca -0.44 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 57.66 1wg1 h LEU 137 Cb 1.24 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 1wg1 h LEU 137 CO 0.33 0.45 -0.69 0.20 -0.34 0.00 0.00 178.44 178.40 1wg1 s ASN 138 N -5.09 4.62 0.07 1.25 -0.87 -1.26 -4.92 114.94 108.73 1wg1 s ASN 138 Ca -0.03 -0.41 -0.21 0.00 -1.57 0.00 0.00 52.86 50.64 1wg1 s ASN 138 Cb 0.00 -0.94 -0.11 0.00 -0.02 0.00 0.00 41.25 40.18 1wg1 s ASN 138 CO 0.05 0.11 1.52 1.23 -2.57 0.00 0.00 177.10 177.44 1wg1 h GLY 139 N 2.96 0.32 -0.48 0.66 0.00 -1.83 -2.90 103.07 101.80 1wg1 h GLY 139 Ca -0.47 -0.22 0.33 0.00 0.00 0.00 0.00 47.33 46.97 1wg1 h GLY 139 CO 0.56 0.20 0.77 0.83 0.00 0.00 0.00 176.54 178.91 1wg1 h GLU 140 N 0.06 0.22 -0.42 4.80 3.07 -1.89 0.34 114.58 120.76 1wg1 h GLU 140 Ca 0.05 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1wg1 h GLU 140 Cb 0.34 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1wg1 h GLU 140 CO 0.01 0.15 0.18 1.96 -1.40 0.00 0.00 179.01 179.90 1wg1 h GLN 141 N 0.23 0.61 0.08 2.33 4.20 -1.94 -3.15 115.11 117.48 1wg1 h GLN 141 Ca 0.66 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 59.26 1wg1 h GLN 141 Cb 1.98 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1wg1 h GLN 141 CO -0.27 0.56 -0.04 0.00 -0.67 0.00 0.00 178.83 178.41 1wg1 h ALA 142 N 1.02 -0.11 -0.75 3.87 0.00 -0.41 -1.09 119.26 121.80 1wg1 h ALA 142 Ca 0.14 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.19 1wg1 h ALA 142 Cb 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 1wg1 h ALA 142 CO -0.01 -0.42 0.32 1.04 0.00 0.00 0.00 179.25 180.18 1wg1 n GLN 143 N -5.00 -0.05 -0.08 0.00 1.13 -0.64 -0.17 117.38 112.57 1wg1 n GLN 143 Ca -0.08 1.06 -0.10 0.00 -1.94 0.00 0.00 57.00 55.94 1wg1 n GLN 143 Cb 0.18 -1.85 -0.05 0.00 0.11 0.00 0.00 30.24 28.64 1wg1 n GLN 143 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1wg1 h ASN 144 N 0.00 0.00 -1.35 1.08 2.35 -1.56 -3.36 115.58 112.74 1wg1 h ASN 144 Ca 0.60 -0.21 0.39 0.00 -0.55 0.00 0.00 56.30 56.53 1wg1 h ASN 144 Cb 1.53 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.84 1wg1 h ASN 144 CO -0.61 0.95 1.20 0.00 -1.65 0.00 0.00 177.43 177.32 1wg1 h ALA 145 N -0.79 3.26 0.49 -0.83 0.00 0.31 0.54 119.26 122.24 1wg1 h ALA 145 Ca -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wg1 h ALA 145 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wg1 h ALA 145 CO -0.06 -1.90 -0.27 0.82 0.00 0.00 0.00 179.25 177.84 1wg1 h ILE 146 N 0.00 0.00 -0.20 0.00 2.04 -0.71 -2.20 117.51 116.45 1wg1 h ILE 146 Ca 0.64 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.36 1wg1 h ILE 146 Cb 3.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1wg1 h ILE 146 CO -0.01 0.00 -0.44 1.56 0.00 0.00 0.00 178.15 179.26 1wg1 h GLN 147 N -0.71 0.64 -1.17 2.37 4.20 -1.24 0.38 115.11 119.59 1wg1 h GLN 147 Ca -0.07 -0.43 0.33 0.00 0.06 0.00 0.00 58.65 58.55 1wg1 h GLN 147 Cb 0.56 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1wg1 h GLN 147 CO 0.09 1.05 0.79 0.52 -0.67 0.00 0.00 178.83 180.61 1wg1 h MET 148 N 0.33 0.19 0.00 1.46 2.86 -1.04 -2.04 114.93 116.68 1wg1 h MET 148 Ca 0.00 -0.01 -0.38 0.00 -2.06 0.00 0.00 59.70 57.25 1wg1 h MET 148 Cb 1.05 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 1wg1 h MET 148 CO 0.10 0.12 -2.43 1.19 1.06 0.00 0.00 176.91 176.95 1wg1 n PHE 149 N -4.46 0.00 -1.18 -0.22 3.01 -0.83 -4.93 117.46 108.86 1wg1 n PHE 149 Ca 0.28 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.28 1wg1 n PHE 149 Cb 1.14 -0.96 -0.06 0.00 -0.01 0.00 0.00 39.48 39.59 1wg1 n PHE 149 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1wg1 n HIS 150 N -3.36 0.79 -3.19 1.38 -0.00 0.13 -0.60 115.22 110.38 1wg1 n HIS 150 Ca -0.45 0.81 -0.14 0.00 0.46 0.00 0.00 57.72 58.39 1wg1 n HIS 150 Cb 0.96 -1.58 0.07 0.00 -0.12 0.00 0.00 29.99 29.32 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 1.81 -5.51 -3.06 1.57 6.02 0.02 -4.92 117.38 113.31 1wg1 n GLN 151 Ca 0.18 0.69 -0.25 0.00 -0.01 0.00 0.00 57.00 57.61 1wg1 n GLN 151 Cb 0.02 -5.24 -0.00 0.00 1.02 0.00 0.00 30.24 26.03 1wg1 n GLN 151 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1wg1 s TYR 152 N -3.29 3.48 -0.69 1.08 5.04 0.24 -4.87 117.35 118.34 1wg1 s TYR 152 Ca 0.05 0.50 -0.24 0.00 -2.44 0.00 0.00 57.07 54.94 1wg1 s TYR 152 Cb -0.02 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.24 1wg1 s TYR 152 CO 0.59 -0.10 1.07 0.45 -1.34 0.00 0.00 175.55 176.23 1wg1 s SER 153 N -4.09 6.18 -0.17 4.32 0.15 -1.26 -3.60 113.70 115.23 1wg1 s SER 153 Ca 0.44 -0.84 -0.04 0.00 0.70 0.00 0.00 55.95 56.20 1wg1 s SER 153 Cb -0.10 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1wg1 s SER 153 CO 0.39 -1.56 0.24 0.12 1.20 0.00 0.00 173.24 173.63 1wg1 s PHE 154 N 4.57 -0.34 -1.44 3.44 5.36 -1.18 -4.89 117.98 123.50 1wg1 s PHE 154 Ca 0.26 0.54 -0.10 0.00 -0.96 0.00 0.00 56.93 56.67 1wg1 s PHE 154 Cb -0.14 -0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.37 1wg1 s PHE 154 CO 0.11 -0.49 1.02 0.54 -1.46 0.00 0.00 175.22 174.94 1wg1 n ARG 155 N 5.33 -6.31 -1.12 10.12 5.12 -1.26 -0.58 116.66 127.97 1wg1 n ARG 155 Ca -0.05 0.68 -0.06 0.00 -1.93 0.00 0.00 57.85 56.49 1wg1 n ARG 155 Cb 0.50 -5.60 -0.03 0.00 -1.16 0.00 0.00 32.46 26.17 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 -1.76 0.57 3.85 -0.13 0.00 -1.26 -4.93 105.19 101.53 1wg1 n GLY 156 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.40 2.44 -0.82 1.61 -0.14 0.26 -5.08 119.74 115.61 1wg1 s LYS 157 Ca 0.00 -1.64 0.01 0.00 -1.36 0.00 0.00 55.97 52.98 1wg1 s LYS 157 Cb 0.00 -2.27 0.22 0.00 -1.68 0.00 0.00 37.83 34.10 1wg1 s LYS 157 CO 0.00 -0.21 0.78 -0.25 -0.76 0.00 0.00 175.35 174.91 1wg1 n ASP 158 N -1.50 4.05 -4.68 2.83 8.00 -1.26 -3.12 116.55 120.87 1wg1 n ASP 158 Ca 0.02 -3.25 -0.61 0.00 0.71 0.00 0.00 54.79 51.67 1wg1 n ASP 158 Cb 0.63 -0.92 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 1wg1 n ASP 158 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wg1 n LEU 159 N 1.82 1.87 -4.43 0.64 4.77 -1.24 -4.45 117.00 115.98 1wg1 n LEU 159 Ca 0.23 1.05 -0.44 0.00 -0.03 0.00 0.00 56.01 56.83 1wg1 n LEU 159 Cb 0.37 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1wg1 n LEU 159 CO 0.38 -0.60 0.34 -0.63 -1.33 0.00 0.00 177.39 175.55 1wg1 s ILE 160 N 3.74 4.87 -0.20 -0.08 1.01 0.32 -0.80 121.20 130.06 1wg1 s ILE 160 Ca 1.03 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 1wg1 s ILE 160 Cb -1.24 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 36.85 1wg1 s ILE 160 CO 0.71 -0.88 0.27 -0.69 0.00 0.00 0.00 174.94 174.35 1wg1 s VAL 161 N 2.61 5.30 0.35 2.92 1.01 -1.26 -1.49 120.40 129.84 1wg1 s VAL 161 Ca 0.14 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1wg1 s VAL 161 Cb -0.21 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1wg1 s VAL 161 CO 0.10 0.34 0.14 -1.10 0.00 0.00 0.00 175.10 174.59 1wg1 s GLN 162 N 0.84 1.75 -0.15 2.72 -0.21 -0.87 -4.62 119.66 119.12 1wg1 s GLN 162 Ca 0.14 -2.03 -0.07 0.00 0.02 0.00 0.00 55.36 53.42 1wg1 s GLN 162 Cb -0.13 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.44 1wg1 s GLN 162 CO 0.04 -0.44 0.10 -1.17 -2.12 0.00 0.00 175.29 171.71 1wg1 s LEU 163 N -3.49 4.12 0.44 2.90 2.96 -1.26 0.02 118.68 124.38 1wg1 s LEU 163 Ca 0.31 0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 54.27 1wg1 s LEU 163 Cb 0.04 -2.02 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 1wg1 s LEU 163 CO 0.16 0.31 1.15 0.00 -1.32 0.00 0.00 176.35 176.65 1wg1 n GLN 164 N 2.67 1.60 -1.16 1.98 6.02 -1.12 -4.81 117.38 122.56 1wg1 n GLN 164 Ca -0.18 0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 57.10 1wg1 n GLN 164 Cb 0.54 -2.24 0.18 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.22 0.31 -0.03 -1.09 0.04 -1.26 -4.99 135.00 125.76 1wg1 s PRO 165 Ca 0.64 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1wg1 s PRO 165 Cb -0.51 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1wg1 s PRO 165 CO 0.56 -2.80 -0.01 0.99 0.04 0.00 0.00 177.00 175.78 1wg1 s THR 166 N -2.97 0.24 -0.77 1.26 2.01 -1.26 -5.04 115.64 109.11 1wg1 s THR 166 Ca 0.66 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.70 1wg1 s THR 166 Cb -0.19 -0.33 0.39 0.00 0.01 0.00 0.00 72.50 72.38 1wg1 s THR 166 CO 0.58 0.17 2.04 -0.90 -0.69 0.00 0.00 174.62 175.81 1wg1 n ASP 167 N 4.21 7.60 -4.19 3.53 5.75 -1.26 -4.86 116.55 127.33 1wg1 n ASP 167 Ca -0.25 -3.81 -0.41 0.00 -0.01 0.00 0.00 54.79 50.32 1wg1 n ASP 167 Cb 0.50 -1.03 -0.06 0.00 -1.03 0.00 0.00 41.12 39.50 1wg1 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wg1 s ALA 168 N -3.96 3.84 -0.15 2.12 0.00 -1.26 -5.01 121.76 117.34 1wg1 s ALA 168 Ca 0.57 -3.35 -0.30 0.00 0.00 0.00 0.00 51.96 48.88 1wg1 s ALA 168 Cb 0.47 -3.02 0.13 0.00 0.00 0.00 0.00 23.12 20.70 1wg1 s ALA 168 CO -0.25 -2.18 1.06 -1.17 0.00 0.00 0.00 175.76 173.21 1wg1 s LEU 169 N -0.10 -0.29 0.50 0.00 2.96 -1.26 -5.18 118.68 115.31 1wg1 s LEU 169 Ca 0.18 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1wg1 s LEU 169 Cb -0.15 1.72 0.04 0.00 0.50 0.00 0.00 46.19 48.29 1wg1 s LEU 169 CO -0.06 -0.33 0.69 -1.48 -1.32 0.00 0.00 176.35 173.85 1wg1 s LEU 170 N -1.48 3.42 -0.28 -0.68 0.05 -1.26 -5.13 118.68 113.32 1wg1 s LEU 170 Ca 0.02 -0.33 -0.21 0.00 0.05 0.00 0.00 54.13 53.66 1wg1 s LEU 170 Cb -0.01 -2.56 0.11 0.00 -2.05 0.00 0.00 46.19 41.68 1wg1 s LEU 170 CO -0.02 -1.04 0.90 0.00 -0.55 0.00 0.00 176.35 175.64 1wg1 n SER 172 N 3.09 0.60 -2.60 0.00 3.41 -1.26 -5.02 113.62 111.85 1wg1 n SER 172 Ca -0.16 0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.49 1wg1 n SER 172 Cb 0.57 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1wg1 n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg1 n GLY 173 N 1.39 -2.65 0.13 5.00 0.00 -1.26 -4.88 105.19 102.92 1wg1 n GLY 173 Ca 0.04 0.73 0.12 0.00 0.00 0.00 0.00 46.02 46.91 1wg1 n GLY 173 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg1 n PRO 174 N 0.13 0.20 -1.33 1.61 -0.04 -1.26 -4.86 135.00 129.45 1wg1 n PRO 174 Ca 0.05 0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 63.54 1wg1 n PRO 174 Cb 0.20 -1.88 0.01 0.00 -0.04 0.00 0.00 33.50 31.79 1wg1 n PRO 174 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg1 n SER 175 N -2.25 -2.57 -4.84 3.54 2.88 -1.26 -4.98 113.62 104.14 1wg1 n SER 175 Ca 0.02 0.76 -0.21 0.00 -1.33 0.00 0.00 58.87 58.11 1wg1 n SER 175 Cb 0.23 -0.95 -0.04 0.00 -0.75 0.00 0.00 64.21 62.70 1wg1 n SER 175 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg1 s SER 176 N -1.02 5.21 0.00 -3.46 0.01 -1.26 -5.23 113.70 107.94 1wg1 s SER 176 Ca 0.61 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1wg1 s SER 176 Cb -0.55 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1wg1 s SER 176 CO 0.62 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.52