#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg1 h SER 91 N 0.00 -0.16 -2.00 1.61 4.64 -2.02 -3.45 113.55 112.17 1wg1 h SER 91 Ca 0.00 -0.36 -0.63 0.00 -0.47 0.00 0.00 61.79 60.33 1wg1 h SER 91 Cb 0.00 0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1wg1 h SER 91 CO 0.00 0.42 0.98 -0.24 -0.87 0.00 0.00 176.83 177.11 1wg1 n SER 92 N -4.89 3.14 -0.50 4.97 2.88 -1.26 -4.46 113.62 113.50 1wg1 n SER 92 Ca -0.07 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wg1 n SER 92 Cb 0.26 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1wg1 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg1 n GLY 93 N 4.07 -3.75 3.49 0.46 0.00 -1.26 -4.83 105.19 103.37 1wg1 n GLY 93 Ca 0.22 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1wg1 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg1 s SER 94 N -0.72 6.78 -0.22 1.61 0.01 -1.26 -4.58 113.70 115.32 1wg1 s SER 94 Ca 0.00 -2.30 -0.20 0.00 1.31 0.00 0.00 55.95 54.75 1wg1 s SER 94 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1wg1 s SER 94 CO 0.00 -1.05 0.62 -0.94 0.41 0.00 0.00 173.24 172.28 1wg1 s SER 95 N 3.68 6.64 0.00 2.44 1.04 -1.26 -4.15 113.70 122.08 1wg1 s SER 95 Ca 0.41 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1wg1 s SER 95 Cb -0.02 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1wg1 s SER 95 CO -0.04 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wg1 n GLY 96 N 3.94 4.29 3.12 7.32 0.00 -1.26 -4.31 105.19 118.29 1wg1 n GLY 96 Ca -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 0.17 -0.20 -0.61 -4.36 0.40 -3.55 121.20 111.19 1wg1 s ILE 97 Ca 0.00 -1.38 -0.05 0.00 -0.26 0.00 0.00 60.65 58.96 1wg1 s ILE 97 Cb 0.00 -1.21 -0.03 0.00 1.25 0.00 0.00 42.46 42.47 1wg1 s ILE 97 CO 0.00 -0.76 0.01 -0.76 0.24 0.00 0.00 174.94 173.67 1wg1 s LEU 98 N -2.58 3.33 -0.64 0.37 1.43 0.69 -2.01 118.68 119.27 1wg1 s LEU 98 Ca 0.02 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 1wg1 s LEU 98 Cb 0.03 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.55 1wg1 s LEU 98 CO -0.08 0.08 0.67 -0.69 0.23 0.00 0.00 176.35 176.57 1wg1 s VAL 99 N 0.88 5.10 0.24 -1.59 1.01 -0.46 -2.03 120.40 123.54 1wg1 s VAL 99 Ca 0.01 -1.49 0.06 0.00 0.00 0.00 0.00 61.98 60.57 1wg1 s VAL 99 Cb -0.14 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1wg1 s VAL 99 CO 0.02 -1.05 0.21 -0.54 0.00 0.00 0.00 175.10 173.74 1wg1 s LYS 100 N 1.84 3.00 -0.33 2.72 1.02 -0.58 -1.65 119.74 125.77 1wg1 s LYS 100 Ca 0.11 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1wg1 s LYS 100 Cb -0.22 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1wg1 s LYS 100 CO 0.01 0.42 0.28 -1.71 -0.92 0.00 0.00 175.35 173.43 1wg1 n ASN 101 N -1.08 -2.43 -4.88 2.83 5.15 -1.25 -1.11 115.26 112.48 1wg1 n ASN 101 Ca -0.08 -0.15 -0.30 0.00 -0.60 0.00 0.00 54.58 53.45 1wg1 n ASN 101 Cb 0.57 -1.69 -0.02 0.00 -0.53 0.00 0.00 39.78 38.11 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 -2.95 3.76 0.00 1.20 1.43 -1.19 -4.42 118.68 116.51 1wg1 s LEU 102 Ca 0.06 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1wg1 s LEU 102 Cb -0.03 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1wg1 s LEU 102 CO 0.19 -0.46 0.00 -0.81 0.23 0.00 0.00 176.35 175.50 1wg1 n PRO 103 N -1.58 0.22 -0.02 1.29 -0.04 -1.26 -4.95 135.00 128.65 1wg1 n PRO 103 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 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 -0.56 -0.04 0.00 0.00 175.50 174.90 1wg1 h GLN 104 N 0.00 0.00 -0.72 0.54 3.07 -1.99 -3.36 115.11 112.65 1wg1 h GLN 104 Ca 0.00 -0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.26 1wg1 h GLN 104 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 27.27 1wg1 h GLN 104 CO 0.00 0.51 -0.03 -3.47 0.09 0.00 0.00 178.83 175.93 1wg1 n ASP 105 N -3.06 4.96 -4.77 0.06 2.03 -1.26 -5.04 116.55 109.47 1wg1 n ASP 105 Ca -0.16 -3.77 -0.35 0.00 0.52 0.00 0.00 54.79 51.02 1wg1 n ASP 105 Cb 1.05 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -2.66 5.73 0.26 1.67 0.15 -1.26 -5.05 113.70 112.54 1wg1 s SER 106 Ca 0.54 2.20 -0.16 0.00 0.70 0.00 0.00 55.95 59.22 1wg1 s SER 106 Cb 0.44 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1wg1 s SER 106 CO 0.02 -1.21 0.58 0.20 1.20 0.00 0.00 173.24 174.02 1wg1 s ASN 107 N -1.73 -0.17 -0.04 5.45 0.01 -1.26 -4.99 114.94 112.21 1wg1 s ASN 107 Ca 0.72 -0.76 -0.11 0.00 -0.71 0.00 0.00 52.86 52.00 1wg1 s ASN 107 Cb -0.25 0.64 -0.06 0.00 0.41 0.00 0.00 41.25 42.00 1wg1 s ASN 107 CO 0.28 -1.22 0.48 0.00 -1.51 0.00 0.00 177.10 175.13 1wg1 n GLN 109 N -4.74 -0.06 0.05 0.00 6.02 -1.26 0.16 117.38 117.55 1wg1 n GLN 109 Ca -0.05 1.09 -0.12 0.00 -0.01 0.00 0.00 57.00 57.92 1wg1 n GLN 109 Cb 0.15 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.02 -0.48 -1.09 4.57 -2.00 -2.90 114.58 112.66 1wg1 h GLU 110 Ca 0.41 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 1wg1 h GLU 110 Cb 0.79 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1wg1 h GLU 110 CO -0.70 -0.01 0.26 0.28 -1.18 0.00 0.00 179.01 177.66 1wg1 h VAL 111 N -0.02 1.17 -0.55 0.32 2.07 0.15 -2.92 116.25 116.47 1wg1 h VAL 111 Ca -0.00 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1wg1 h VAL 111 Cb 0.02 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1wg1 h VAL 111 CO 0.00 0.18 -0.43 -0.74 0.02 0.00 0.00 177.57 176.60 1wg1 h HIS 112 N 0.64 -1.36 -0.63 1.57 6.17 -0.36 0.24 115.15 121.42 1wg1 h HIS 112 Ca 0.17 0.08 0.11 0.00 0.71 0.00 0.00 60.37 61.44 1wg1 h HIS 112 Cb 0.05 0.66 -0.08 0.00 2.52 0.00 0.00 27.41 30.57 1wg1 h HIS 112 CO -0.02 -0.32 0.20 0.22 0.71 0.00 0.00 177.93 178.72 1wg1 h ASP 113 N -0.13 0.14 -0.60 3.26 1.82 -1.49 -1.14 116.42 118.28 1wg1 h ASP 113 Ca 0.09 0.10 0.08 0.00 -0.39 0.00 0.00 57.03 56.90 1wg1 h ASP 113 Cb 0.37 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.42 1wg1 h ASP 113 CO -0.59 0.08 0.26 0.25 -1.61 0.00 0.00 179.24 177.63 1wg1 h LEU 114 N 0.35 0.32 -3.68 2.28 5.85 -0.72 -1.11 115.31 118.60 1wg1 h LEU 114 Ca 0.33 0.06 -0.48 0.00 0.84 0.00 0.00 57.88 58.63 1wg1 h LEU 114 Cb 0.45 0.01 -0.23 0.00 0.37 0.00 0.00 40.66 41.26 1wg1 h LEU 114 CO -0.36 0.20 0.61 0.18 -0.34 0.00 0.00 178.44 178.73 1wg1 n LEU 115 N -4.93 6.69 -0.20 2.25 4.77 0.62 -4.56 117.00 121.64 1wg1 n LEU 115 Ca 0.08 -3.58 -0.05 0.00 -0.03 0.00 0.00 56.01 52.42 1wg1 n LEU 115 Cb 0.22 -0.92 0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1wg1 n LEU 115 CO 0.25 1.20 1.10 0.07 -1.33 0.00 0.00 177.39 178.68 1wg1 h LYS 116 N 1.39 0.70 -0.80 3.23 2.10 -0.37 -2.49 116.57 120.33 1wg1 h LYS 116 Ca 0.48 -0.04 0.19 0.00 -2.00 0.00 0.00 60.65 59.28 1wg1 h LYS 116 Cb 1.45 -0.16 -0.12 0.00 -0.90 0.00 0.00 32.23 32.50 1wg1 h LYS 116 CO 1.09 0.46 0.21 -0.44 -2.00 0.00 0.00 179.45 178.77 1wg1 h ASP 117 N 0.72 0.01 -3.15 7.07 3.32 -1.83 -3.40 116.42 119.16 1wg1 h ASP 117 Ca 0.22 0.17 -0.58 0.00 0.02 0.00 0.00 57.03 56.85 1wg1 h ASP 117 Cb -0.03 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1wg1 h ASP 117 CO -0.08 -0.08 -0.21 -0.31 -1.72 0.00 0.00 179.24 176.84 1wg1 s TYR 118 N -6.00 3.59 -0.15 4.55 1.51 -0.94 -5.06 117.35 114.86 1wg1 s TYR 118 Ca -0.12 0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 56.51 1wg1 s TYR 118 Cb 0.23 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1wg1 s TYR 118 CO 0.76 0.50 0.97 0.34 -1.11 0.00 0.00 175.55 177.02 1wg1 s ASP 119 N -1.73 7.14 -0.06 2.29 2.15 -1.26 -4.91 116.67 120.29 1wg1 s ASP 119 Ca 0.34 1.41 -0.16 0.00 0.43 0.00 0.00 52.55 54.56 1wg1 s ASP 119 Cb -0.14 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1wg1 s ASP 119 CO 0.18 -0.49 0.44 -0.76 -0.17 0.00 0.00 175.17 174.37 1wg1 s LEU 120 N 2.34 4.38 -0.16 -1.34 1.02 -1.26 -3.02 118.68 120.64 1wg1 s LEU 120 Ca 0.45 0.89 0.02 0.00 0.02 0.00 0.00 54.13 55.50 1wg1 s LEU 120 Cb -0.17 -2.63 -0.10 0.00 0.02 0.00 0.00 46.19 43.30 1wg1 s LEU 120 CO 0.14 0.17 -0.13 0.29 0.02 0.00 0.00 176.35 176.83 1wg1 n LYS 121 N 2.72 0.45 -3.70 1.70 5.02 -0.67 -5.02 118.16 118.66 1wg1 n LYS 121 Ca -0.11 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1wg1 n LYS 121 Cb 0.52 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.31 -0.61 -0.07 2.13 5.04 -1.25 -5.01 117.35 115.27 1wg1 s TYR 122 Ca -0.21 1.30 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1wg1 s TYR 122 Cb 0.05 0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.65 1wg1 s TYR 122 CO 0.37 -0.34 -0.11 0.00 -1.34 0.00 0.00 175.55 174.12 1wg1 s TYR 124 N 0.79 1.69 -0.18 0.00 5.04 -0.82 -4.97 117.35 118.89 1wg1 s TYR 124 Ca -0.12 -1.14 -0.16 0.00 -2.44 0.00 0.00 57.07 53.21 1wg1 s TYR 124 Cb -0.15 -1.30 -0.04 0.00 0.35 0.00 0.00 41.96 40.81 1wg1 s TYR 124 CO 0.02 -0.63 0.39 0.08 -1.34 0.00 0.00 175.55 174.06 1wg1 s VAL 125 N 1.64 5.22 -0.51 3.14 1.01 -1.26 -1.12 120.40 128.51 1wg1 s VAL 125 Ca -0.00 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1wg1 s VAL 125 Cb -0.16 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.63 1wg1 s VAL 125 CO -0.07 0.29 0.25 -1.81 0.00 0.00 0.00 175.10 173.76 1wg1 s ASP 126 N 0.87 4.40 0.52 3.32 1.01 0.77 -4.94 116.67 122.62 1wg1 s ASP 126 Ca 0.19 -2.94 0.17 0.00 0.71 0.00 0.00 52.55 50.69 1wg1 s ASP 126 Cb -0.14 -1.65 1.30 0.00 1.01 0.00 0.00 42.92 43.43 1wg1 s ASP 126 CO 0.07 -0.25 2.14 0.08 0.21 0.00 0.00 175.17 177.42 1wg1 h ARG 127 N 6.62 0.00 -0.64 8.23 0.11 -1.94 0.58 114.38 127.34 1wg1 h ARG 127 Ca -0.07 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.06 1wg1 h ARG 127 Cb 0.90 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.93 1wg1 h ARG 127 CO 0.68 0.00 0.35 -2.95 0.10 0.00 0.00 179.97 178.15 1wg1 h ASN 128 N 0.00 0.52 -0.26 0.08 7.08 -1.95 -2.61 115.58 118.45 1wg1 h ASN 128 Ca 0.03 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 1wg1 h ASN 128 Cb 0.11 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1wg1 h ASN 128 CO -0.00 0.34 0.00 0.29 -2.08 0.00 0.00 177.43 175.98 1wg1 n LYS 129 N -4.80 2.82 -4.15 4.14 5.02 -0.80 -4.99 118.16 115.40 1wg1 n LYS 129 Ca 0.08 -2.33 -0.35 0.00 -2.02 0.00 0.00 58.31 53.69 1wg1 n LYS 129 Cb 0.16 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.07 -1.17 -3.88 1.97 1.74 0.19 -4.88 116.66 110.58 1wg1 n ARG 130 Ca 0.14 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1wg1 n ARG 130 Cb 0.60 -3.48 -0.13 0.00 -1.02 0.00 0.00 32.46 28.42 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 -4.01 0.01 -0.14 0.55 2.01 -0.72 -3.17 115.64 110.17 1wg1 s THR 131 Ca 0.17 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1wg1 s THR 131 Cb -0.09 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.38 1wg1 s THR 131 CO 0.96 -0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 174.70 1wg1 s ALA 132 N -0.17 1.79 -0.34 7.40 0.00 -0.66 -0.17 121.76 129.61 1wg1 s ALA 132 Ca -0.02 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1wg1 s ALA 132 Cb -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1wg1 s ALA 132 CO -0.00 -0.38 0.78 -0.06 0.00 0.00 0.00 175.76 176.09 1wg1 s PHE 133 N 1.51 3.14 -0.16 0.00 0.08 -0.28 -1.35 117.98 120.92 1wg1 s PHE 133 Ca 0.05 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.70 1wg1 s PHE 133 Cb -0.13 -3.32 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 1wg1 s PHE 133 CO -0.10 -0.67 -0.07 0.08 -0.10 0.00 0.00 175.22 174.36 1wg1 s VAL 134 N 3.03 3.55 -0.46 -0.44 1.01 -0.85 -1.94 120.40 124.30 1wg1 s VAL 134 Ca 0.31 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1wg1 s VAL 134 Cb -0.14 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.80 1wg1 s VAL 134 CO 0.15 0.49 0.33 -0.89 0.00 0.00 0.00 175.10 175.18 1wg1 s THR 135 N 0.52 4.34 1.02 3.92 2.01 -0.70 -0.45 115.64 126.30 1wg1 s THR 135 Ca -0.05 -1.59 -0.16 0.00 0.31 0.00 0.00 61.69 60.21 1wg1 s THR 135 Cb -0.15 -3.76 0.20 0.00 0.01 0.00 0.00 72.50 68.80 1wg1 s THR 135 CO 0.03 -0.67 1.19 -0.76 -0.69 0.00 0.00 174.62 173.72 1wg1 s LEU 136 N 1.42 1.85 -0.00 4.42 1.43 -1.26 -1.67 118.68 124.87 1wg1 s LEU 136 Ca 0.04 0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1wg1 s LEU 136 Cb -0.25 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1wg1 s LEU 136 CO 0.01 -3.09 0.70 0.25 0.23 0.00 0.00 176.35 174.45 1wg1 h LEU 137 N -1.87 -0.17 -9.68 1.79 5.85 -1.90 -3.41 115.31 105.91 1wg1 h LEU 137 Ca -0.47 0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.69 1wg1 h LEU 137 Cb 1.29 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 1wg1 h LEU 137 CO 0.45 -0.08 -0.59 0.20 -0.34 0.00 0.00 178.44 178.09 1wg1 s ASN 138 N -2.93 4.33 -0.02 1.25 0.01 -1.26 -4.72 114.94 111.59 1wg1 s ASN 138 Ca -0.03 -0.95 -0.24 0.00 -0.71 0.00 0.00 52.86 50.93 1wg1 s ASN 138 Cb 0.00 -0.58 -0.18 0.00 0.41 0.00 0.00 41.25 40.90 1wg1 s ASN 138 CO 0.09 -0.28 1.15 1.23 -1.51 0.00 0.00 177.10 177.78 1wg1 h GLY 139 N 1.71 -0.17 -0.99 0.66 0.00 -1.81 -3.22 103.07 99.24 1wg1 h GLY 139 Ca -0.43 0.06 0.33 0.00 0.00 0.00 0.00 47.33 47.29 1wg1 h GLY 139 CO 0.66 -0.06 0.23 1.18 0.00 0.00 0.00 176.54 178.55 1wg1 n GLU 140 N -4.94 -0.07 -0.24 4.80 -0.58 -1.26 0.14 120.64 118.48 1wg1 n GLU 140 Ca -0.09 1.44 -0.01 0.00 -0.42 0.00 0.00 57.16 58.08 1wg1 n GLU 140 Cb 0.26 -2.40 0.11 0.00 -0.57 0.00 0.00 31.44 28.83 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 0.71 0.10 3.49 4.20 -1.97 -2.83 115.11 118.81 1wg1 h GLN 141 Ca 0.70 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.36 1wg1 h GLN 141 Cb 1.65 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1wg1 h GLN 141 CO -0.86 0.47 -0.05 0.00 -0.67 0.00 0.00 178.83 177.72 1wg1 h ALA 142 N 1.36 -0.13 -1.04 3.87 0.00 0.11 -1.89 119.26 121.54 1wg1 h ALA 142 Ca 0.31 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.40 1wg1 h ALA 142 Cb 0.19 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1wg1 h ALA 142 CO -0.18 -0.38 0.66 1.04 0.00 0.00 0.00 179.25 180.38 1wg1 n GLN 143 N -4.97 -0.03 -0.06 0.00 1.13 -0.45 -0.42 117.38 112.58 1wg1 n GLN 143 Ca -0.09 0.95 -0.04 0.00 -1.94 0.00 0.00 57.00 55.88 1wg1 n GLN 143 Cb 0.22 -1.87 -0.01 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 -4.22 1.65 -0.47 1.08 3.02 -1.17 -4.25 115.26 110.91 1wg1 n ASN 144 Ca 0.30 0.59 0.39 0.00 -0.03 0.00 0.00 54.58 55.84 1wg1 n ASN 144 Cb 1.18 -0.83 0.65 0.00 -0.61 0.00 0.00 39.78 40.17 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 -3.55 1.34 0.02 5.41 0.00 -0.21 -0.95 120.51 122.58 1wg1 n ALA 145 Ca -0.07 0.79 -0.05 0.00 0.00 0.00 0.00 53.44 54.11 1wg1 n ALA 145 Cb 0.25 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 0.00 -0.17 0.00 2.04 -0.91 0.17 117.51 118.63 1wg1 h ILE 146 Ca 0.83 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.65 1wg1 h ILE 146 Cb 2.77 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1wg1 h ILE 146 CO -0.38 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.26 1wg1 h GLN 147 N -0.20 0.35 -0.97 2.37 1.08 -1.25 0.51 115.11 117.00 1wg1 h GLN 147 Ca 0.00 -0.15 0.31 0.00 -1.45 0.00 0.00 58.65 57.36 1wg1 h GLN 147 Cb 0.21 -0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.47 1wg1 h GLN 147 CO -0.09 0.65 0.47 0.52 -0.95 0.00 0.00 178.83 179.42 1wg1 h MET 148 N 0.04 0.25 0.05 1.46 2.86 -1.07 -0.48 114.93 118.04 1wg1 h MET 148 Ca 0.04 -0.02 -0.35 0.00 -2.06 0.00 0.00 59.70 57.32 1wg1 h MET 148 Cb 0.54 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1wg1 h MET 148 CO 0.02 0.17 -2.02 1.19 1.06 0.00 0.00 176.91 177.33 1wg1 n PHE 149 N -5.12 0.85 -1.51 -0.22 3.01 0.04 -4.90 117.46 109.61 1wg1 n PHE 149 Ca 0.30 0.23 -0.59 0.00 1.01 0.00 0.00 57.45 58.39 1wg1 n PHE 149 Cb 0.93 -1.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.19 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 -3.23 1.11 -3.07 1.38 -0.00 0.18 -0.32 115.22 111.28 1wg1 n HIS 150 Ca -0.29 1.03 -0.13 0.00 0.46 0.00 0.00 57.72 58.78 1wg1 n HIS 150 Cb 1.05 -2.01 0.05 0.00 -0.12 0.00 0.00 29.99 28.96 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 2.54 -4.52 -2.54 1.57 1.13 -0.01 -4.93 117.38 110.62 1wg1 n GLN 151 Ca 0.24 0.49 -0.26 0.00 -1.94 0.00 0.00 57.00 55.53 1wg1 n GLN 151 Cb 0.01 -4.50 0.02 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 -3.20 3.27 -0.46 1.08 5.04 0.57 -4.86 117.35 118.80 1wg1 s TYR 152 Ca 0.25 0.57 -0.21 0.00 -2.44 0.00 0.00 57.07 55.24 1wg1 s TYR 152 Cb -0.11 -2.61 0.03 0.00 0.35 0.00 0.00 41.96 39.62 1wg1 s TYR 152 CO 0.43 -0.67 0.68 0.45 -1.34 0.00 0.00 175.55 175.10 1wg1 s SER 153 N -4.27 6.33 -0.27 4.32 0.15 -1.26 -3.50 113.70 115.20 1wg1 s SER 153 Ca 0.52 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.79 1wg1 s SER 153 Cb -0.10 -2.33 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 1wg1 s SER 153 CO 0.44 -0.85 0.43 0.12 1.20 0.00 0.00 173.24 174.57 1wg1 s PHE 154 N 2.95 -1.04 -1.21 3.44 5.36 -1.23 -4.91 117.98 121.35 1wg1 s PHE 154 Ca 0.23 0.77 -0.05 0.00 -0.96 0.00 0.00 56.93 56.93 1wg1 s PHE 154 Cb -0.14 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.58 1wg1 s PHE 154 CO 0.19 -0.85 0.62 0.54 -1.46 0.00 0.00 175.22 174.25 1wg1 n ARG 155 N 5.37 -4.64 -1.90 10.12 5.12 -1.26 -1.99 116.66 127.48 1wg1 n ARG 155 Ca -0.01 0.72 -0.20 0.00 -1.93 0.00 0.00 57.85 56.42 1wg1 n ARG 155 Cb 0.50 -5.22 -0.06 0.00 -1.16 0.00 0.00 32.46 26.52 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 -1.47 0.99 3.69 -0.13 0.00 -1.26 -4.97 105.19 102.03 1wg1 n GLY 156 Ca -0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.22 2.12 -0.88 1.61 -0.14 -0.84 -5.08 119.74 112.31 1wg1 s LYS 157 Ca 0.00 -1.93 -0.00 0.00 -1.36 0.00 0.00 55.97 52.68 1wg1 s LYS 157 Cb 0.00 -1.85 0.26 0.00 -1.68 0.00 0.00 37.83 34.56 1wg1 s LYS 157 CO 0.00 -0.07 1.01 -0.25 -0.76 0.00 0.00 175.35 175.28 1wg1 n ASP 158 N -1.11 4.82 -4.72 2.83 8.00 -1.26 -3.50 116.55 121.60 1wg1 n ASP 158 Ca -0.03 -3.33 -0.67 0.00 0.71 0.00 0.00 54.79 51.47 1wg1 n ASP 158 Cb 0.65 -1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.51 1.19 -4.38 0.64 4.77 -1.23 -4.50 117.00 115.00 1wg1 n LEU 159 Ca 0.26 1.16 -0.44 0.00 -0.03 0.00 0.00 56.01 56.96 1wg1 n LEU 159 Cb 0.37 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1wg1 n LEU 159 CO 0.50 -0.83 0.03 -0.63 -1.33 0.00 0.00 177.39 175.13 1wg1 s ILE 160 N 3.17 5.20 -0.17 -0.08 1.01 -0.27 -0.83 121.20 129.24 1wg1 s ILE 160 Ca 1.06 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 1wg1 s ILE 160 Cb -1.50 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 36.81 1wg1 s ILE 160 CO 0.81 -0.59 0.31 -0.69 0.00 0.00 0.00 174.94 174.78 1wg1 s VAL 161 N 1.63 5.29 0.25 2.92 1.01 -1.26 -1.52 120.40 128.72 1wg1 s VAL 161 Ca 0.04 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1wg1 s VAL 161 Cb -0.24 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1wg1 s VAL 161 CO 0.06 0.37 0.04 -1.10 0.00 0.00 0.00 175.10 174.47 1wg1 s GLN 162 N 0.59 1.40 0.01 2.72 -1.52 -0.86 -4.76 119.66 117.24 1wg1 s GLN 162 Ca 0.17 -1.73 -0.02 0.00 -1.95 0.00 0.00 55.36 51.83 1wg1 s GLN 162 Cb -0.13 -0.52 -0.04 0.00 -0.22 0.00 0.00 33.01 32.10 1wg1 s GLN 162 CO 0.05 -0.18 0.20 -1.17 -0.25 0.00 0.00 175.29 173.94 1wg1 s LEU 163 N -3.33 4.37 0.70 2.90 2.96 -1.26 -0.22 118.68 124.79 1wg1 s LEU 163 Ca 0.32 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 54.42 1wg1 s LEU 163 Cb 0.07 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1wg1 s LEU 163 CO 0.11 0.23 1.17 -1.10 -1.32 0.00 0.00 176.35 175.44 1wg1 s GLN 164 N -2.11 2.41 0.28 1.98 -0.21 -1.23 -4.83 119.66 115.94 1wg1 s GLN 164 Ca 0.30 1.64 -0.29 0.00 0.02 0.00 0.00 55.36 57.03 1wg1 s GLN 164 Cb -0.13 -1.88 -0.10 0.00 1.00 0.00 0.00 33.01 31.91 1wg1 s GLN 164 CO 0.21 -1.60 1.25 -1.25 -2.12 0.00 0.00 175.29 171.78 1wg1 s PRO 165 N -3.92 4.44 -0.91 2.91 0.04 -1.26 -4.94 135.00 131.36 1wg1 s PRO 165 Ca 0.72 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 1wg1 s PRO 165 Cb -0.26 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.15 1wg1 s PRO 165 CO 0.43 -0.10 1.61 0.99 0.04 0.00 0.00 177.00 179.97 1wg1 s THR 166 N -0.76 3.70 -0.10 1.26 2.01 -1.26 -4.81 115.64 115.69 1wg1 s THR 166 Ca 0.50 -0.39 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 1wg1 s THR 166 Cb -0.37 -4.63 -0.23 0.00 0.01 0.00 0.00 72.50 67.28 1wg1 s THR 166 CO 0.45 -1.54 0.90 0.44 -0.69 0.00 0.00 174.62 174.17 1wg1 h ASP 167 N 10.74 -0.01 -3.21 3.53 5.19 -2.03 -3.44 116.42 127.18 1wg1 h ASP 167 Ca 0.06 -0.80 -0.63 0.00 -0.62 0.00 0.00 57.03 55.03 1wg1 h ASP 167 Cb 1.03 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.20 1wg1 h ASP 167 CO 1.32 0.81 -0.85 0.00 -3.12 0.00 0.00 179.24 177.41 1wg1 s ALA 168 N -2.87 2.00 -0.14 3.45 0.00 -1.26 -5.12 121.76 117.82 1wg1 s ALA 168 Ca -0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1wg1 s ALA 168 Cb -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.20 1wg1 s ALA 168 CO 0.66 -0.09 0.37 -1.17 0.00 0.00 0.00 175.76 175.53 1wg1 s LEU 169 N 0.95 0.56 -0.23 0.00 2.96 -1.26 -5.03 118.68 116.63 1wg1 s LEU 169 Ca -0.05 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 1wg1 s LEU 169 Cb -0.15 1.28 0.07 0.00 0.50 0.00 0.00 46.19 47.89 1wg1 s LEU 169 CO -0.03 -0.13 2.37 0.18 -1.32 0.00 0.00 176.35 177.42 1wg1 n LEU 170 N 2.91 6.05 0.16 -0.68 4.77 -1.26 -4.47 117.00 124.47 1wg1 n LEU 170 Ca -0.13 -3.22 -0.10 0.00 -0.03 0.00 0.00 56.01 52.53 1wg1 n LEU 170 Cb 0.57 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1wg1 n LEU 170 CO 0.14 1.34 0.30 0.00 -1.33 0.00 0.00 177.39 177.83 1wg1 s SER 172 N -5.06 2.63 0.00 0.00 1.04 -1.26 -5.04 113.70 106.00 1wg1 s SER 172 Ca -0.10 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1wg1 s SER 172 Cb 0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wg1 s SER 172 CO 0.33 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1wg1 n GLY 173 N 0.20 0.98 0.00 7.32 0.00 -1.26 -4.83 105.19 107.59 1wg1 n GLY 173 Ca -0.12 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.02 -2.75 1.61 -0.04 -1.26 -4.64 135.00 127.94 1wg1 n PRO 174 Ca 0.00 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 1wg1 n PRO 174 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1wg1 n PRO 174 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wg1 s SER 175 N -2.95 6.71 -0.27 3.54 1.04 -1.26 -5.02 113.70 115.49 1wg1 s SER 175 Ca 0.08 0.62 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 1wg1 s SER 175 Cb 0.09 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1wg1 s SER 175 CO 0.26 -0.92 0.37 -0.44 0.98 0.00 0.00 173.24 173.49 1wg1 s SER 176 N 1.93 6.26 0.00 7.02 0.01 -1.26 -4.92 113.70 122.74 1wg1 s SER 176 Ca 0.40 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1wg1 s SER 176 Cb -0.11 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wg1 s SER 176 CO 0.20 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.28