#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg1 h GLU 5 N 0.00 0.12 -0.15 -1.46 4.81 -2.04 -1.98 114.58 113.88 2wg1 h GLU 5 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wg1 h GLU 5 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2wg1 h GLU 5 CO 0.00 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.64 2wg1 n LEU 6 N -4.43 1.61 -4.34 1.64 4.77 -1.26 -4.81 117.00 110.18 2wg1 n LEU 6 Ca 0.09 -0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 2wg1 n LEU 6 Cb 0.49 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 2wg1 n LEU 6 CO 0.36 0.33 -0.45 -0.22 -1.33 0.00 0.00 177.39 176.07 2wg1 s LEU 7 N -1.62 2.66 -0.06 2.23 2.96 -0.75 -0.15 118.68 123.96 2wg1 s LEU 7 Ca 0.33 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2wg1 s LEU 7 Cb 0.18 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.29 2wg1 s LEU 7 CO 0.27 0.13 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.72 2wg1 s VAL 8 N 0.53 0.47 -0.20 1.68 1.01 -0.79 -4.80 120.40 118.30 2wg1 s VAL 8 Ca -0.09 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 2wg1 s VAL 8 Cb -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 2wg1 s VAL 8 CO 0.04 0.25 0.86 0.20 0.00 0.00 0.00 175.10 176.45 2wg1 s ASN 9 N 1.56 6.93 0.49 3.32 0.01 -1.26 -0.78 114.94 125.21 2wg1 s ASN 9 Ca -0.01 1.15 0.05 0.00 -0.71 0.00 0.00 52.86 53.34 2wg1 s ASN 9 Cb -0.13 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2wg1 s ASN 9 CO -0.04 -0.48 0.17 0.42 -1.51 0.00 0.00 177.10 175.67 2wg1 s THR 10 N 2.56 1.68 -0.03 1.60 -4.23 -0.33 -4.89 115.64 112.01 2wg1 s THR 10 Ca 0.38 -1.76 0.31 0.00 -1.18 0.00 0.00 61.69 59.43 2wg1 s THR 10 Cb -0.16 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.56 2wg1 s THR 10 CO 0.10 0.00 1.92 0.11 -0.54 0.00 0.00 174.62 176.21 2wg1 h LYS 11 N 1.22 0.00 -0.01 3.99 1.57 -1.93 -2.33 116.57 119.09 2wg1 h LYS 11 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2wg1 h LYS 11 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2wg1 h LYS 11 CO 0.68 0.00 -0.66 0.43 -0.57 0.00 0.00 179.45 179.34 2wg1 n SER 12 N -2.69 1.18 0.00 0.86 7.64 -1.26 -4.91 113.62 114.44 2wg1 n SER 12 Ca 0.00 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2wg1 n SER 12 Cb 0.20 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 2wg1 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wg1 n GLY 13 N 1.46 1.56 3.81 0.23 0.00 -0.88 -1.32 105.19 110.06 2wg1 n GLY 13 Ca 0.07 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 2wg1 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg1 s LYS 14 N -1.28 4.28 0.03 1.61 1.02 -1.25 -1.18 119.74 122.97 2wg1 s LYS 14 Ca 0.00 1.00 0.05 0.00 0.02 0.00 0.00 55.97 57.04 2wg1 s LYS 14 Cb 0.00 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 2wg1 s LYS 14 CO 0.00 0.23 -0.16 0.14 -0.92 0.00 0.00 175.35 174.65 2wg1 s VAL 15 N -1.77 1.23 -0.18 3.17 -7.23 0.04 -1.04 120.40 114.62 2wg1 s VAL 15 Ca 0.51 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.74 2wg1 s VAL 15 Cb -0.14 -1.08 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 2wg1 s VAL 15 CO 0.19 0.14 -0.12 -0.32 -0.31 0.00 0.00 175.10 174.68 2wg1 s MET 16 N -0.91 3.24 0.00 4.82 1.75 0.18 -1.88 119.30 126.50 2wg1 s MET 16 Ca 0.04 -0.72 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 2wg1 s MET 16 Cb -0.07 -2.74 0.00 0.00 2.84 0.00 0.00 34.83 34.86 2wg1 s MET 16 CO 0.01 -0.08 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 2wg1 n GLY 17 N 4.36 1.12 3.24 2.11 0.00 0.79 0.12 105.19 116.93 2wg1 n GLY 17 Ca -0.19 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2wg1 n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wg1 s THR 18 N 1.46 0.02 -0.13 2.61 -1.32 -0.18 -4.65 115.64 113.44 2wg1 s THR 18 Ca 0.00 -0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.07 2wg1 s THR 18 Cb 0.00 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.45 2wg1 s THR 18 CO 0.00 -0.07 0.92 -0.60 -2.21 0.00 0.00 174.62 172.65 2wg1 s ARG 19 N -0.25 4.37 -0.02 7.08 3.52 -1.26 -0.88 118.95 131.51 2wg1 s ARG 19 Ca -0.04 1.20 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 2wg1 s ARG 19 Cb -0.03 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 2wg1 s ARG 19 CO 0.02 -0.30 -0.23 0.14 -0.81 0.00 0.00 175.30 174.12 2wg1 s VAL 20 N 2.00 2.36 0.55 7.11 -7.23 0.30 -4.96 120.40 120.52 2wg1 s VAL 20 Ca 0.43 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.38 2wg1 s VAL 20 Cb -0.17 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2wg1 s VAL 20 CO 0.15 0.55 1.06 -2.16 -0.31 0.00 0.00 175.10 174.39 2wg1 s PRO 21 N -0.75 3.49 -0.29 4.82 0.04 -1.26 -1.48 135.00 139.58 2wg1 s PRO 21 Ca 0.11 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2wg1 s PRO 21 Cb -0.10 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.50 2wg1 s PRO 21 CO 0.00 -0.68 0.65 0.54 0.04 0.00 0.00 177.00 177.54 2wg1 s VAL 22 N -2.18 -0.76 -1.34 -0.36 0.11 -0.18 -4.86 120.40 110.83 2wg1 s VAL 22 Ca 0.66 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.54 2wg1 s VAL 22 Cb -0.17 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2wg1 s VAL 22 CO 0.29 0.00 0.35 0.18 -3.33 0.00 0.00 175.10 172.59 2wg1 n LEU 23 N 5.19 -0.49 -0.77 2.54 4.77 -1.26 -0.14 117.00 126.84 2wg1 n LEU 23 Ca -0.14 -1.27 -0.10 0.00 -0.03 0.00 0.00 56.01 54.47 2wg1 n LEU 23 Cb 0.51 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 2wg1 n LEU 23 CO -0.03 0.65 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.38 2wg1 n SER 24 N -2.41 -4.71 -0.10 -1.43 7.64 -1.26 -4.95 113.62 106.40 2wg1 n SER 24 Ca -0.21 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2wg1 n SER 24 Cb 0.61 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 2wg1 n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wg1 n SER 25 N -0.30 0.27 -3.80 6.43 2.88 0.79 -5.19 113.62 114.71 2wg1 n SER 25 Ca -0.10 -0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.24 2wg1 n SER 25 Cb 0.41 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 2wg1 n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2wg1 s HIS 26 N -0.83 -0.04 0.33 0.66 3.76 -1.26 -1.01 115.29 116.90 2wg1 s HIS 26 Ca 0.00 -0.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.85 2wg1 s HIS 26 Cb 0.00 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.71 2wg1 s HIS 26 CO 0.00 -0.46 0.32 0.96 -0.85 0.00 0.00 174.74 174.72 2wg1 s ILE 27 N -2.42 0.00 -0.03 0.60 -4.36 -0.55 -4.48 121.20 109.97 2wg1 s ILE 27 Ca -0.06 -1.91 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 2wg1 s ILE 27 Cb -0.02 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 2wg1 s ILE 27 CO -0.03 0.00 0.22 -0.44 0.24 0.00 0.00 174.94 174.93 2wg1 s SER 28 N -3.35 6.45 -0.06 4.36 0.01 -0.54 -0.54 113.70 120.04 2wg1 s SER 28 Ca 0.39 0.50 0.03 0.00 1.31 0.00 0.00 55.95 58.17 2wg1 s SER 28 Cb 0.02 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.19 2wg1 s SER 28 CO 0.26 0.29 -0.14 0.00 0.41 0.00 0.00 173.24 174.07 2wg1 s ALA 29 N -1.24 1.34 -0.33 1.44 0.00 -0.06 -0.03 121.76 122.88 2wg1 s ALA 29 Ca 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2wg1 s ALA 29 Cb -0.13 -0.55 0.08 0.00 0.00 0.00 0.00 23.12 22.53 2wg1 s ALA 29 CO 0.14 0.16 0.05 -0.06 0.00 0.00 0.00 175.76 176.05 2wg1 s PHE 30 N 0.48 3.53 -0.05 0.00 0.40 1.00 -1.02 117.98 122.33 2wg1 s PHE 30 Ca -0.12 -2.52 0.01 0.00 -0.60 0.00 0.00 56.93 53.70 2wg1 s PHE 30 Cb -0.15 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2wg1 s PHE 30 CO 0.04 -0.91 -0.04 -0.51 0.70 0.00 0.00 175.22 174.49 2wg1 s LEU 31 N 1.06 3.30 -0.82 -0.37 1.43 0.49 -0.21 118.68 123.56 2wg1 s LEU 31 Ca 0.03 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2wg1 s LEU 31 Cb -0.20 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2wg1 s LEU 31 CO -0.05 0.34 0.71 0.61 0.23 0.00 0.00 176.35 178.19 2wg1 n GLY 32 N 1.95 0.04 3.68 -3.19 0.00 -0.99 -4.11 105.19 102.57 2wg1 n GLY 32 Ca -0.17 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2wg1 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wg1 s ILE 33 N -3.20 4.57 0.20 -0.61 1.01 0.21 -4.80 121.20 118.58 2wg1 s ILE 33 Ca 0.33 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.54 2wg1 s ILE 33 Cb -0.15 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 2wg1 s ILE 33 CO 0.44 -0.04 1.24 -2.16 0.00 0.00 0.00 174.94 174.43 2wg1 s PRO 34 N 2.37 4.45 0.00 2.79 0.04 -1.26 -0.03 135.00 143.36 2wg1 s PRO 34 Ca 0.50 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.51 2wg1 s PRO 34 Cb -0.20 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 2wg1 s PRO 34 CO 0.17 -0.15 0.30 1.97 0.04 0.00 0.00 177.00 179.33 2wg1 n PHE 35 N 2.47 0.00 -3.94 0.56 1.16 -1.01 -4.89 117.46 111.81 2wg1 n PHE 35 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 2wg1 n PHE 35 Cb 0.44 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.23 2wg1 n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wg1 s ALA 36 N -0.65 0.02 0.33 1.98 0.00 -1.25 -3.14 121.76 119.06 2wg1 s ALA 36 Ca 0.01 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2wg1 s ALA 36 Cb 0.01 0.40 -0.11 0.00 0.00 0.00 0.00 23.12 23.43 2wg1 s ALA 36 CO 0.04 -0.46 1.41 -1.21 0.00 0.00 0.00 175.76 175.54 2wg1 s GLU 37 N -3.83 4.24 -0.12 0.00 0.41 0.14 -4.44 118.70 115.10 2wg1 s GLU 37 Ca 0.05 2.38 -0.39 0.00 -0.41 0.00 0.00 54.97 56.60 2wg1 s GLU 37 Cb 0.06 -3.04 -0.17 0.00 -1.78 0.00 0.00 34.13 29.20 2wg1 s GLU 37 CO -0.10 -0.37 1.53 -2.30 -0.49 0.00 0.00 175.26 173.52 2wg1 n PRO 38 N 1.01 1.01 -1.42 0.39 -0.02 -1.26 -4.67 135.00 130.05 2wg1 n PRO 38 Ca 0.02 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2wg1 n PRO 38 Cb 0.40 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2wg1 n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wg1 n PRO 39 N 3.86 3.35 -4.23 0.52 -0.04 -1.26 -4.91 135.00 132.29 2wg1 n PRO 39 Ca 0.23 -2.23 -0.24 0.00 -0.04 0.00 0.00 63.50 61.22 2wg1 n PRO 39 Cb 0.14 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 2wg1 n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wg1 s VAL 40 N 0.58 3.74 0.00 0.52 -7.23 -1.26 -3.24 120.40 113.52 2wg1 s VAL 40 Ca 0.64 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2wg1 s VAL 40 Cb 0.24 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2wg1 s VAL 40 CO -0.07 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2wg1 n GLY 41 N -0.68 2.00 0.00 2.32 0.00 -1.26 -2.12 105.19 105.45 2wg1 n GLY 41 Ca -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2wg1 n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wg1 n ASN 42 N 6.37 0.00 -0.23 1.61 6.94 -1.26 -1.61 115.26 127.08 2wg1 n ASN 42 Ca 0.00 0.37 0.12 0.00 -0.02 0.00 0.00 54.58 55.05 2wg1 n ASN 42 Cb 0.00 -0.41 0.19 0.00 -2.36 0.00 0.00 39.78 37.20 2wg1 n ASN 42 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2wg1 n MET 43 N -1.41 0.67 -1.68 -3.83 2.81 -0.90 -4.84 117.12 107.95 2wg1 n MET 43 Ca 0.02 -0.47 -0.45 0.00 -1.81 0.00 0.00 57.70 54.99 2wg1 n MET 43 Cb 0.05 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 2wg1 n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2wg1 n ARG 44 N -0.75 2.21 0.00 0.03 0.63 -0.63 -1.10 116.66 117.05 2wg1 n ARG 44 Ca 0.09 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 2wg1 n ARG 44 Cb 0.37 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.73 2wg1 n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wg1 n PHE 45 N 3.13 0.00 -2.44 -0.14 3.72 -1.26 -4.90 117.46 115.57 2wg1 n PHE 45 Ca 0.15 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 2wg1 n PHE 45 Cb 0.30 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 2wg1 n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wg1 s ARG 46 N 0.00 3.88 0.12 -1.08 0.52 -0.26 -4.26 118.95 117.88 2wg1 s ARG 46 Ca 0.00 1.08 -0.25 0.00 -0.52 0.00 0.00 55.73 56.04 2wg1 s ARG 46 Cb 0.00 -2.12 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 2wg1 s ARG 46 CO 0.00 -0.33 0.52 0.54 0.02 0.00 0.00 175.30 176.05 2wg1 n ARG 47 N -1.39 0.00 -1.59 3.54 1.74 -1.26 -4.93 116.66 112.77 2wg1 n ARG 47 Ca 0.07 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 2wg1 n ARG 47 Cb 0.54 -0.90 0.05 0.00 -1.02 0.00 0.00 32.46 31.13 2wg1 n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wg1 s PRO 48 N -0.62 2.80 -0.05 5.56 0.04 -1.26 -5.06 135.00 136.42 2wg1 s PRO 48 Ca 0.57 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2wg1 s PRO 48 Cb -0.81 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2wg1 s PRO 48 CO 0.45 -1.21 -0.06 -1.21 0.04 0.00 0.00 177.00 175.01 2wg1 s GLU 49 N -4.72 2.72 0.62 4.56 2.02 -1.26 -5.03 118.70 117.61 2wg1 s GLU 49 Ca 0.61 -0.58 -0.19 0.00 0.02 0.00 0.00 54.97 54.82 2wg1 s GLU 49 Cb -0.16 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 2wg1 s GLU 49 CO 0.50 0.65 1.31 -1.25 0.02 0.00 0.00 175.26 176.50 2wg1 s PRO 50 N -1.04 2.71 0.11 0.39 0.04 -1.26 -0.68 135.00 135.27 2wg1 s PRO 50 Ca 0.14 2.12 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 2wg1 s PRO 50 Cb -0.11 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2wg1 s PRO 50 CO 0.04 -1.49 1.42 0.21 0.04 0.00 0.00 177.00 177.22 2wg1 s LYS 51 N -3.25 4.30 0.17 4.56 2.47 -1.19 -3.92 119.74 122.89 2wg1 s LYS 51 Ca 0.80 2.12 -0.32 0.00 -1.56 0.00 0.00 55.97 57.01 2wg1 s LYS 51 Cb -0.39 -3.27 -0.11 0.00 -1.46 0.00 0.00 37.83 32.61 2wg1 s LYS 51 CO 0.42 -0.48 1.62 0.15 0.16 0.00 0.00 175.35 177.22 2wg1 s LYS 52 N 1.25 4.19 0.62 4.03 1.02 -1.26 -4.92 119.74 124.67 2wg1 s LYS 52 Ca 0.66 2.44 -0.18 0.00 0.02 0.00 0.00 55.97 58.90 2wg1 s LYS 52 Cb -0.38 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2wg1 s LYS 52 CO 0.30 -0.66 1.04 -2.30 -0.92 0.00 0.00 175.35 172.81 2wg1 n PRO 53 N 4.05 0.90 -4.33 -1.68 -0.02 -1.26 -5.00 135.00 127.66 2wg1 n PRO 53 Ca 0.15 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 2wg1 n PRO 53 Cb 0.38 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 2wg1 n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2wg1 s TRP 54 N -1.50 2.74 0.57 6.00 -2.14 -0.43 -5.03 118.94 119.16 2wg1 s TRP 54 Ca 0.78 -0.15 -0.13 0.00 2.66 0.00 0.00 56.10 59.26 2wg1 s TRP 54 Cb -0.40 -1.47 -0.06 0.00 -3.10 0.00 0.00 33.47 28.44 2wg1 s TRP 54 CO 0.45 0.39 1.00 -1.12 -2.66 0.00 0.00 176.95 175.02 2wg1 s SER 55 N -1.94 6.39 0.05 -2.66 0.01 -1.26 -4.51 113.70 109.77 2wg1 s SER 55 Ca 0.20 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2wg1 s SER 55 Cb -0.11 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2wg1 s SER 55 CO 0.11 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2wg1 n GLY 56 N -2.27 -1.39 3.20 3.44 0.00 -1.26 -4.83 105.19 102.09 2wg1 n GLY 56 Ca 0.06 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 2wg1 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg1 s VAL 57 N 0.00 2.76 -0.05 1.61 1.01 -1.26 -3.77 120.40 120.70 2wg1 s VAL 57 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2wg1 s VAL 57 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2wg1 s VAL 57 CO 0.00 0.34 1.28 0.86 0.00 0.00 0.00 175.10 177.58 2wg1 s TRP 58 N 1.35 3.01 -0.38 5.22 -0.11 -0.21 -4.87 118.94 122.96 2wg1 s TRP 58 Ca 0.03 1.04 -0.29 0.00 1.22 0.00 0.00 56.10 58.09 2wg1 s TRP 58 Cb -0.15 -3.52 0.01 0.00 -1.50 0.00 0.00 33.47 28.30 2wg1 s TRP 58 CO -0.06 -1.80 1.40 1.21 -4.62 0.00 0.00 176.95 173.08 2wg1 s ASN 59 N 1.70 6.41 -0.41 5.86 3.84 -1.26 0.50 114.94 131.57 2wg1 s ASN 59 Ca 0.59 0.96 0.05 0.00 0.21 0.00 0.00 52.86 54.67 2wg1 s ASN 59 Cb -0.27 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.33 2wg1 s ASN 59 CO 0.23 -1.35 1.31 0.00 -2.79 0.00 0.00 177.10 174.50 2wg1 n ALA 60 N 8.56 5.27 0.11 1.71 0.00 0.12 -4.69 120.51 131.59 2wg1 n ALA 60 Ca 0.16 -3.95 0.11 0.00 0.00 0.00 0.00 53.44 49.76 2wg1 n ALA 60 Cb 0.47 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 2wg1 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wg1 n SER 61 N -0.65 0.33 -4.18 0.00 3.41 -1.24 -0.38 113.62 110.91 2wg1 n SER 61 Ca 0.45 0.03 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 2wg1 n SER 61 Cb 0.79 1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 66.04 2wg1 n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wg1 s THR 62 N -3.43 1.26 0.45 6.66 -4.23 -1.26 -4.85 115.64 110.25 2wg1 s THR 62 Ca -0.04 -1.09 -0.23 0.00 -1.18 0.00 0.00 61.69 59.15 2wg1 s THR 62 Cb 0.13 -1.14 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 2wg1 s THR 62 CO 0.87 0.03 0.88 -1.22 -0.54 0.00 0.00 174.62 174.63 2wg1 n TYR 63 N 1.80 0.67 -2.02 3.99 4.01 -1.26 -3.98 117.16 120.37 2wg1 n TYR 63 Ca -0.18 0.55 -0.28 0.00 -0.16 0.00 0.00 57.90 57.82 2wg1 n TYR 63 Cb 0.54 -2.15 0.11 0.00 -0.31 0.00 0.00 39.34 37.53 2wg1 n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wg1 s PRO 64 N -2.02 1.64 0.72 -0.72 0.04 -1.26 -4.88 135.00 128.51 2wg1 s PRO 64 Ca 0.65 -0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 2wg1 s PRO 64 Cb -0.54 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 2wg1 s PRO 64 CO 0.56 -1.73 0.87 0.09 0.04 0.00 0.00 177.00 176.83 2wg1 n ASN 65 N -3.32 0.13 -4.93 6.66 3.02 -1.26 -4.84 115.26 110.71 2wg1 n ASN 65 Ca 0.10 0.66 -0.26 0.00 -0.03 0.00 0.00 54.58 55.05 2wg1 n ASN 65 Cb 0.60 -1.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.38 2wg1 n ASN 65 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wg1 s ASN 66 N -1.59 6.36 0.62 6.41 0.02 -0.66 -4.77 114.94 121.32 2wg1 s ASN 66 Ca 0.72 0.41 -0.17 0.00 -1.02 0.00 0.00 52.86 52.80 2wg1 s ASN 66 Cb -0.35 -2.01 -0.02 0.00 0.02 0.00 0.00 41.25 38.89 2wg1 s ASN 66 CO 0.52 -0.13 1.13 0.00 0.02 0.00 0.00 177.10 178.63 2wg1 s GLN 68 N -3.77 4.16 0.02 0.00 -1.52 -1.21 -4.65 119.66 112.68 2wg1 s GLN 68 Ca 0.70 2.50 -0.27 0.00 -1.95 0.00 0.00 55.36 56.34 2wg1 s GLN 68 Cb -0.23 -3.10 0.06 0.00 -0.22 0.00 0.00 33.01 29.53 2wg1 s GLN 68 CO 0.36 -0.67 0.61 1.14 -0.25 0.00 0.00 175.29 176.48 2wg1 s GLN 69 N 0.91 1.08 0.13 2.91 -2.07 -1.26 -4.66 119.66 116.69 2wg1 s GLN 69 Ca 0.71 -0.02 -0.35 0.00 -1.82 0.00 0.00 55.36 53.89 2wg1 s GLN 69 Cb -0.47 0.50 -0.17 0.00 -1.09 0.00 0.00 33.01 31.78 2wg1 s GLN 69 CO 0.34 -0.38 1.14 0.98 -1.32 0.00 0.00 175.29 176.05 2wg1 n TYR 70 N 0.56 1.09 -4.48 9.60 9.36 -1.26 -4.99 117.16 127.04 2wg1 n TYR 70 Ca -0.19 0.76 -0.34 0.00 3.32 0.00 0.00 57.90 61.46 2wg1 n TYR 70 Cb 0.59 -2.23 -0.14 0.00 -0.63 0.00 0.00 39.34 36.93 2wg1 n TYR 70 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wg1 s VAL 71 N -0.07 3.27 -0.28 2.97 1.01 -1.26 -4.87 120.40 121.17 2wg1 s VAL 71 Ca 0.78 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2wg1 s VAL 71 Cb -0.95 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2wg1 s VAL 71 CO 0.52 0.49 1.46 -0.62 0.00 0.00 0.00 175.10 176.96 2wg1 s ASP 72 N 0.64 6.48 -0.19 3.32 2.15 -1.26 -4.87 116.67 122.95 2wg1 s ASP 72 Ca -0.05 1.33 0.13 0.00 0.43 0.00 0.00 52.55 54.39 2wg1 s ASP 72 Cb -0.15 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.34 2wg1 s ASP 72 CO 0.03 -1.22 1.21 -0.62 -0.17 0.00 0.00 175.17 174.39 2wg1 n GLU 73 N 7.59 1.44 0.16 4.34 -0.58 -1.26 -4.77 120.64 127.56 2wg1 n GLU 73 Ca 0.17 -3.14 0.01 0.00 -0.42 0.00 0.00 57.16 53.78 2wg1 n GLU 73 Cb 0.46 -1.49 0.27 0.00 -0.57 0.00 0.00 31.44 30.12 2wg1 n GLU 73 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2wg1 h GLN 74 N 0.90 0.00 -2.25 3.49 -0.00 -2.00 -3.35 115.11 111.90 2wg1 h GLN 74 Ca -0.02 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 58.05 2wg1 h GLN 74 Cb 1.07 0.00 -0.39 0.00 0.00 0.00 0.00 27.48 28.15 2wg1 h GLN 74 CO 0.01 0.49 -0.94 1.19 0.00 0.00 0.00 178.83 179.58 2wg1 n PHE 75 N -3.92 0.43 -1.75 3.99 3.72 -1.26 -5.12 117.46 113.55 2wg1 n PHE 75 Ca -0.01 -3.65 -0.42 0.00 -0.05 0.00 0.00 57.45 53.32 2wg1 n PHE 75 Cb 0.51 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2wg1 n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wg1 n PRO 76 N 1.82 2.54 -0.38 -1.08 -0.02 -1.26 -1.12 135.00 135.50 2wg1 n PRO 76 Ca 0.25 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 2wg1 n PRO 76 Cb 0.48 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2wg1 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg1 n GLY 77 N 0.80 1.84 3.66 -1.23 0.00 -1.26 -5.00 105.19 104.00 2wg1 n GLY 77 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2wg1 n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wg1 s PHE 78 N -3.03 3.36 0.14 1.61 5.36 -0.28 -4.95 117.98 120.20 2wg1 s PHE 78 Ca 0.00 0.67 0.19 0.00 -0.96 0.00 0.00 56.93 56.82 2wg1 s PHE 78 Cb 0.00 -2.59 0.63 0.00 -0.34 0.00 0.00 43.02 40.72 2wg1 s PHE 78 CO 0.00 -0.06 1.71 0.66 -1.46 0.00 0.00 175.22 176.07 2wg1 h SER 79 N 7.46 0.00 -0.72 6.13 4.64 -1.95 -1.80 113.55 127.31 2wg1 h SER 79 Ca -0.35 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.10 2wg1 h SER 79 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2wg1 h SER 79 CO 0.72 0.38 0.29 1.23 -0.87 0.00 0.00 176.83 178.58 2wg1 h GLY 80 N 2.20 1.07 0.33 -0.77 0.00 -1.93 -1.20 103.07 102.77 2wg1 h GLY 80 Ca -0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 47.33 46.82 2wg1 h GLY 80 CO 0.05 -0.07 -2.19 -1.14 0.00 0.00 0.00 176.54 173.19 2wg1 n SER 81 N -4.99 1.13 0.25 0.19 3.41 -1.17 -4.38 113.62 108.05 2wg1 n SER 81 Ca 0.13 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.96 2wg1 n SER 81 Cb 0.37 0.03 0.53 0.00 -0.26 0.00 0.00 64.21 64.88 2wg1 n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wg1 h GLU 82 N 0.01 0.00 0.00 4.33 5.08 -1.15 -2.81 114.58 120.04 2wg1 h GLU 82 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2wg1 h GLU 82 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 2wg1 h GLU 82 CO 0.02 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 2wg1 n MET 83 N -3.24 0.09 -0.01 2.33 0.00 -0.47 -2.05 117.12 113.77 2wg1 n MET 83 Ca 0.01 0.49 0.09 0.00 0.00 0.00 0.00 57.70 58.29 2wg1 n MET 83 Cb 0.39 -1.75 -0.16 0.00 0.00 0.00 0.00 33.22 31.69 2wg1 n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 2wg1 n TRP 84 N -1.94 0.04 -1.96 3.17 7.02 -1.06 -4.69 117.44 118.02 2wg1 n TRP 84 Ca 0.01 0.01 -0.33 0.00 -1.02 0.00 0.00 57.50 56.16 2wg1 n TRP 84 Cb 0.09 -0.56 0.03 0.00 -2.42 0.00 0.00 31.31 28.44 2wg1 n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2wg1 s ASN 85 N -4.64 5.44 0.14 -0.99 0.01 -0.87 -4.71 114.94 109.31 2wg1 s ASN 85 Ca -0.08 2.00 -0.35 0.00 -0.71 0.00 0.00 52.86 53.72 2wg1 s ASN 85 Cb 0.13 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 39.09 2wg1 s ASN 85 CO 0.90 -1.41 1.47 -2.65 -1.51 0.00 0.00 177.10 173.91 2wg1 n PRO 86 N -2.03 1.75 -0.31 -0.60 -0.02 -1.26 -4.87 135.00 127.67 2wg1 n PRO 86 Ca 0.10 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.30 2wg1 n PRO 86 Cb 0.52 -2.34 0.25 0.00 -0.02 0.00 0.00 33.50 31.90 2wg1 n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2wg1 n ASN 87 N 3.00 3.56 -4.40 2.55 6.94 -1.26 -4.96 115.26 120.69 2wg1 n ASN 87 Ca 0.17 -2.09 -0.20 0.00 -0.02 0.00 0.00 54.58 52.44 2wg1 n ASN 87 Cb 0.25 -0.38 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 2wg1 n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wg1 s ARG 88 N -1.16 1.48 0.26 -3.83 1.81 -1.26 -5.10 118.95 111.14 2wg1 s ARG 88 Ca 0.37 -1.74 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 2wg1 s ARG 88 Cb 0.20 -1.02 -0.13 0.00 -0.45 0.00 0.00 34.95 33.55 2wg1 s ARG 88 CO 0.23 0.02 1.34 -1.91 -0.68 0.00 0.00 175.30 174.30 2wg1 n GLU 89 N -0.53 1.94 -2.99 3.54 2.13 -1.26 -4.55 120.64 118.93 2wg1 n GLU 89 Ca -0.06 0.69 -0.38 0.00 0.66 0.00 0.00 57.16 58.07 2wg1 n GLU 89 Cb 0.63 -2.30 -0.06 0.00 0.27 0.00 0.00 31.44 29.98 2wg1 n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2wg1 s MET 90 N -0.77 4.48 0.01 5.31 -1.94 -1.26 -1.66 119.30 123.48 2wg1 s MET 90 Ca 0.65 1.10 -0.22 0.00 -1.71 0.00 0.00 55.69 55.52 2wg1 s MET 90 Cb -0.65 -3.10 0.05 0.00 2.01 0.00 0.00 34.83 33.14 2wg1 s MET 90 CO 0.53 0.49 0.48 0.45 -0.01 0.00 0.00 175.02 176.96 2wg1 s SER 91 N -1.35 -0.39 0.58 3.03 0.15 0.03 -4.91 113.70 110.84 2wg1 s SER 91 Ca 0.40 0.23 0.37 0.00 0.70 0.00 0.00 55.95 57.64 2wg1 s SER 91 Cb -0.21 0.45 1.67 0.00 -1.71 0.00 0.00 66.02 66.21 2wg1 s SER 91 CO 0.24 -0.62 2.09 -0.33 1.20 0.00 0.00 173.24 175.83 2wg1 h GLU 92 N 3.12 0.00 -5.44 5.44 5.08 -1.95 -3.22 114.58 117.62 2wg1 h GLU 92 Ca -0.30 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.39 2wg1 h GLU 92 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 2wg1 h GLU 92 CO 0.41 0.00 1.46 0.34 -1.00 0.00 0.00 179.01 180.22 2wg1 s ASP 93 N -5.55 6.75 0.00 1.42 -1.08 -1.26 -4.17 116.67 112.77 2wg1 s ASP 93 Ca -0.01 -2.21 0.00 0.00 -0.52 0.00 0.00 52.55 49.81 2wg1 s ASP 93 Cb 0.10 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2wg1 s ASP 93 CO 0.51 -1.13 0.41 0.00 0.52 0.00 0.00 175.17 175.48 2wg1 s LEU 95 N -0.02 4.70 0.15 0.00 1.43 -1.26 -4.72 118.68 118.96 2wg1 s LEU 95 Ca 0.00 -2.70 0.04 0.00 -1.03 0.00 0.00 54.13 50.45 2wg1 s LEU 95 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2wg1 s LEU 95 CO 0.00 -0.91 -0.10 -0.31 0.23 0.00 0.00 176.35 175.26 2wg1 s TYR 96 N 2.46 1.29 0.17 0.29 1.51 -1.26 -2.41 117.35 119.39 2wg1 s TYR 96 Ca 0.44 -0.77 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2wg1 s TYR 96 Cb -0.01 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 2wg1 s TYR 96 CO 0.00 0.08 -0.06 -0.48 -1.11 0.00 0.00 175.55 173.98 2wg1 s LEU 97 N -3.18 2.39 -0.03 -1.29 0.05 0.96 -2.76 118.68 114.82 2wg1 s LEU 97 Ca 0.17 -1.08 0.04 0.00 0.05 0.00 0.00 54.13 53.31 2wg1 s LEU 97 Cb 0.03 -0.27 -0.00 0.00 -2.05 0.00 0.00 46.19 43.89 2wg1 s LEU 97 CO 0.01 -0.42 -0.16 0.20 -0.55 0.00 0.00 176.35 175.44 2wg1 s ASN 98 N -3.19 1.94 -0.08 1.48 0.01 -0.37 -0.62 114.94 114.12 2wg1 s ASN 98 Ca 0.20 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 2wg1 s ASN 98 Cb 0.04 -0.46 0.02 0.00 0.41 0.00 0.00 41.25 41.25 2wg1 s ASN 98 CO 0.03 0.15 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.03 2wg1 s ILE 99 N -0.03 1.10 -0.20 0.60 1.01 0.70 -1.18 121.20 123.20 2wg1 s ILE 99 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 2wg1 s ILE 99 Cb -0.10 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2wg1 s ILE 99 CO 0.01 0.36 0.04 0.26 0.00 0.00 0.00 174.94 175.61 2wg1 s TRP 100 N 0.95 3.13 -0.13 3.97 0.51 0.21 -0.00 118.94 127.57 2wg1 s TRP 100 Ca -0.09 -0.22 0.02 0.00 -2.12 0.00 0.00 56.10 53.69 2wg1 s TRP 100 Cb -0.15 -2.12 0.01 0.00 -0.81 0.00 0.00 33.47 30.41 2wg1 s TRP 100 CO 0.00 -0.10 -0.19 0.08 -0.51 0.00 0.00 176.95 176.23 2wg1 s VAL 101 N 0.88 1.84 0.82 4.03 1.01 0.95 -1.82 120.40 128.12 2wg1 s VAL 101 Ca 0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 2wg1 s VAL 101 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2wg1 s VAL 101 CO 0.02 0.51 0.41 -2.65 0.00 0.00 0.00 175.10 173.39 2wg1 n PRO 102 N 4.14 0.06 -3.87 2.72 -0.02 -1.26 -1.46 135.00 135.30 2wg1 n PRO 102 Ca -0.20 0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.08 2wg1 n PRO 102 Cb 0.51 -1.79 -0.17 0.00 -0.02 0.00 0.00 33.50 32.03 2wg1 n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wg1 s SER 103 N -1.65 2.17 0.61 2.55 0.15 -1.26 -3.08 113.70 113.19 2wg1 s SER 103 Ca 0.61 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.77 2wg1 s SER 103 Cb -0.29 -0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 63.23 2wg1 s SER 103 CO 0.63 -0.15 1.09 -2.16 1.20 0.00 0.00 173.24 173.85 2wg1 s PRO 104 N 1.75 3.13 -0.03 5.44 0.04 -1.26 -4.95 135.00 139.13 2wg1 s PRO 104 Ca 0.04 1.36 -0.37 0.00 0.04 0.00 0.00 61.00 62.07 2wg1 s PRO 104 Cb -0.13 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 2wg1 s PRO 104 CO -0.08 -0.98 1.55 -2.13 0.04 0.00 0.00 177.00 175.40 2wg1 n ARG 105 N -2.02 1.39 -1.47 4.56 0.63 -1.18 -4.95 116.66 113.62 2wg1 n ARG 105 Ca 0.10 0.50 -0.29 0.00 -0.92 0.00 0.00 57.85 57.24 2wg1 n ARG 105 Cb 0.52 -2.20 0.17 0.00 0.45 0.00 0.00 32.46 31.41 2wg1 n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2wg1 s PRO 106 N 1.82 0.49 -0.25 -0.14 0.02 -1.26 -5.01 135.00 130.67 2wg1 s PRO 106 Ca 0.89 0.12 -0.09 0.00 0.02 0.00 0.00 61.00 61.94 2wg1 s PRO 106 Cb -0.93 -1.78 -0.16 0.00 0.02 0.00 0.00 34.50 31.65 2wg1 s PRO 106 CO 0.52 -2.60 -0.17 1.63 -0.33 0.00 0.00 177.00 176.04 2wg1 n LYS 107 N -4.01 0.62 -2.83 5.54 4.76 -1.26 -4.08 118.16 116.91 2wg1 n LYS 107 Ca 0.09 0.26 -0.11 0.00 -2.87 0.00 0.00 58.31 55.69 2wg1 n LYS 107 Cb 0.59 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 32.26 2wg1 n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wg1 n SER 108 N -3.86 -2.35 -4.92 4.39 2.88 -1.08 -4.49 113.62 104.19 2wg1 n SER 108 Ca -0.47 -3.22 -0.21 0.00 -1.33 0.00 0.00 58.87 53.64 2wg1 n SER 108 Cb 0.91 1.41 -0.03 0.00 -0.75 0.00 0.00 64.21 65.76 2wg1 n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2wg1 s THR 109 N 0.35 4.61 0.19 2.46 -1.32 0.23 -4.46 115.64 117.70 2wg1 s THR 109 Ca 0.32 -1.15 -0.33 0.00 -1.21 0.00 0.00 61.69 59.32 2wg1 s THR 109 Cb 0.22 -3.57 -0.15 0.00 -1.51 0.00 0.00 72.50 67.50 2wg1 s THR 109 CO -0.22 -0.29 1.34 0.41 -2.21 0.00 0.00 174.62 173.66 2wg1 n THR 110 N -1.38 0.72 -4.56 5.08 -1.04 -1.26 -0.37 114.28 111.47 2wg1 n THR 110 Ca -0.06 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 2wg1 n THR 110 Cb 0.58 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.76 2wg1 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wg1 s VAL 111 N 0.07 3.83 -0.08 12.58 1.01 -0.82 -1.38 120.40 135.60 2wg1 s VAL 111 Ca 0.73 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2wg1 s VAL 111 Cb -0.75 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2wg1 s VAL 111 CO 0.49 0.59 -0.14 -0.04 0.00 0.00 0.00 175.10 176.00 2wg1 s MET 112 N -0.71 1.97 -0.22 2.72 -1.94 -0.46 -0.73 119.30 119.93 2wg1 s MET 112 Ca 0.11 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.58 2wg1 s MET 112 Cb -0.11 -1.64 0.02 0.00 2.01 0.00 0.00 34.83 35.10 2wg1 s MET 112 CO 0.02 -0.00 -0.09 0.08 -0.01 0.00 0.00 175.02 175.02 2wg1 s VAL 113 N 0.79 2.80 -0.08 -6.03 1.01 0.30 -0.03 120.40 119.15 2wg1 s VAL 113 Ca -0.12 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 2wg1 s VAL 113 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2wg1 s VAL 113 CO 0.02 0.33 0.59 0.86 0.00 0.00 0.00 175.10 176.91 2wg1 s TRP 114 N 1.35 3.56 -0.24 5.22 -0.11 0.17 -0.75 118.94 128.14 2wg1 s TRP 114 Ca 0.03 1.09 -0.01 0.00 1.22 0.00 0.00 56.10 58.42 2wg1 s TRP 114 Cb -0.15 -2.67 0.03 0.00 -1.50 0.00 0.00 33.47 29.17 2wg1 s TRP 114 CO -0.06 0.16 -0.07 0.42 -4.62 0.00 0.00 176.95 172.77 2wg1 s ILE 115 N 0.59 2.80 0.57 5.86 1.01 0.67 -2.48 121.20 130.22 2wg1 s ILE 115 Ca 0.32 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 2wg1 s ILE 115 Cb -0.17 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2wg1 s ILE 115 CO 0.15 0.21 1.14 -0.72 0.00 0.00 0.00 174.94 175.71 2wg1 s TYR 116 N 1.31 2.61 0.00 3.97 -0.85 -1.26 -3.59 117.35 119.55 2wg1 s TYR 116 Ca 0.00 1.54 0.00 0.00 -0.52 0.00 0.00 57.07 58.09 2wg1 s TYR 116 Cb -0.17 -3.30 0.00 0.00 0.38 0.00 0.00 41.96 38.88 2wg1 s TYR 116 CO -0.05 -1.70 0.00 0.41 -1.52 0.00 0.00 175.55 172.69 2wg1 n GLY 117 N 0.09 0.90 0.00 5.49 0.00 -1.13 -3.44 105.19 107.11 2wg1 n GLY 117 Ca 0.12 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2wg1 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg1 n GLY 118 N 5.00 1.01 2.52 -0.02 0.00 -1.26 -4.19 105.19 108.26 2wg1 n GLY 118 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wg1 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg1 n GLY 119 N 0.00 1.06 3.47 -0.02 0.00 -1.26 -1.86 105.19 106.58 2wg1 n GLY 119 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wg1 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wg1 n PHE 120 N -2.48 0.00 0.48 1.61 3.72 -1.26 -4.78 117.46 114.76 2wg1 n PHE 120 Ca -0.10 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2wg1 n PHE 120 Cb 0.44 -1.23 -0.04 0.00 -0.94 0.00 0.00 39.48 37.71 2wg1 n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2wg1 n TYR 121 N -2.07 0.00 -3.85 1.38 0.18 -0.94 -0.30 117.16 111.57 2wg1 n TYR 121 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 2wg1 n TYR 121 Cb 0.10 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.08 2wg1 n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2wg1 s SER 122 N -1.76 0.07 0.00 9.48 1.04 -0.78 -4.03 113.70 117.72 2wg1 s SER 122 Ca 0.06 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2wg1 s SER 122 Cb 0.08 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2wg1 s SER 122 CO 0.36 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2wg1 n GLY 123 N -0.52 3.80 3.11 7.32 0.00 -1.26 -4.05 105.19 113.58 2wg1 n GLY 123 Ca -0.07 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2wg1 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wg1 s SER 124 N 0.00 -0.08 0.00 1.61 0.01 -1.26 -4.66 113.70 109.32 2wg1 s SER 124 Ca 0.00 0.06 0.28 0.00 1.31 0.00 0.00 55.95 57.60 2wg1 s SER 124 Cb 0.00 0.29 1.11 0.00 0.21 0.00 0.00 66.02 67.63 2wg1 s SER 124 CO 0.00 -0.26 1.80 -1.54 0.41 0.00 0.00 173.24 173.65 2wg1 n SER 125 N 2.03 0.36 -0.74 2.44 3.41 -1.26 -4.14 113.62 115.72 2wg1 n SER 125 Ca -0.19 -0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.23 2wg1 n SER 125 Cb 0.57 -0.11 0.12 0.00 -0.26 0.00 0.00 64.21 64.53 2wg1 n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wg1 n THR 126 N -1.18 0.38 -1.70 6.66 -2.24 -1.26 -4.84 114.28 110.10 2wg1 n THR 126 Ca 0.11 -0.69 -0.39 0.00 -2.27 0.00 0.00 64.05 60.82 2wg1 n THR 126 Cb 0.30 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 2wg1 n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wg1 n LEU 127 N 0.92 4.89 -0.31 3.22 4.77 -1.26 -4.89 117.00 124.34 2wg1 n LEU 127 Ca 0.12 0.94 0.14 0.00 -0.03 0.00 0.00 56.01 57.18 2wg1 n LEU 127 Cb 0.44 -1.51 0.38 0.00 -2.33 0.00 0.00 43.42 40.40 2wg1 n LEU 127 CO 0.10 -0.97 1.21 0.44 -1.33 0.00 0.00 177.39 176.84 2wg1 h ASP 128 N 1.17 0.66 1.20 -1.43 3.32 -1.94 -1.15 116.42 118.26 2wg1 h ASP 128 Ca -0.50 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2wg1 h ASP 128 Cb 1.32 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2wg1 h ASP 128 CO 0.55 0.28 0.00 0.55 -1.72 0.00 0.00 179.24 178.90 2wg1 n VAL 129 N -4.63 0.39 -0.54 -1.35 3.14 -1.26 -2.69 118.33 111.39 2wg1 n VAL 129 Ca 0.21 -0.12 0.10 0.00 -2.96 0.00 0.00 64.34 61.56 2wg1 n VAL 129 Cb 0.57 -0.60 0.33 0.00 -1.06 0.00 0.00 33.84 33.08 2wg1 n VAL 129 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2wg1 n TYR 130 N -1.93 1.24 -2.01 1.45 4.01 -0.44 -4.65 117.16 114.83 2wg1 n TYR 130 Ca 0.06 -0.58 -0.43 0.00 -0.16 0.00 0.00 57.90 56.79 2wg1 n TYR 130 Cb 0.37 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2wg1 n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wg1 s ASN 131 N -0.99 6.18 0.00 7.72 3.84 -1.10 -4.86 114.94 125.73 2wg1 s ASN 131 Ca 0.48 1.65 0.21 0.00 0.21 0.00 0.00 52.86 55.41 2wg1 s ASN 131 Cb 0.29 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.57 2wg1 s ASN 131 CO 0.26 -1.42 1.68 0.61 -2.79 0.00 0.00 177.10 175.44 2wg1 n GLY 132 N 4.94 -0.95 0.28 1.21 0.00 -1.26 -4.14 105.19 105.27 2wg1 n GLY 132 Ca 0.21 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2wg1 n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wg1 h LYS 133 N 0.00 0.89 -0.61 1.61 2.10 -1.91 -0.93 116.57 117.72 2wg1 h LYS 133 Ca 0.00 -0.33 -0.06 0.00 -2.00 0.00 0.00 60.65 58.27 2wg1 h LYS 133 Cb 0.18 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 2wg1 h LYS 133 CO 0.00 0.97 0.16 1.88 -2.00 0.00 0.00 179.45 180.46 2wg1 h TYR 134 N 0.79 1.01 -0.05 0.07 0.05 -1.80 0.15 116.97 117.19 2wg1 h TYR 134 Ca 0.12 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.61 2wg1 h TYR 134 Cb 0.66 -0.29 0.01 0.00 1.01 0.00 0.00 36.73 38.13 2wg1 h TYR 134 CO 0.04 0.85 -0.66 1.25 -1.05 0.00 0.00 178.16 178.59 2wg1 h LEU 135 N 0.88 0.67 0.08 3.88 5.85 -1.70 0.92 115.31 125.90 2wg1 h LEU 135 Ca 0.19 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wg1 h LEU 135 Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2wg1 h LEU 135 CO 0.00 1.27 -0.09 0.00 -0.34 0.00 0.00 178.44 179.29 2wg1 h ALA 136 N 0.41 -0.16 0.13 1.25 0.00 -1.04 -0.94 119.26 118.91 2wg1 h ALA 136 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wg1 h ALA 136 Cb 1.33 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2wg1 h ALA 136 CO 0.13 -0.61 -0.06 -0.92 0.00 0.00 0.00 179.25 177.80 2wg1 h TYR 137 N -0.19 -0.16 -0.18 0.00 3.20 -0.74 -0.50 116.97 118.41 2wg1 h TYR 137 Ca 0.01 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2wg1 h TYR 137 Cb 0.19 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2wg1 h TYR 137 CO -0.11 0.01 -0.15 1.15 -1.64 0.00 0.00 178.16 177.41 2wg1 h THR 138 N -0.30 1.33 -0.03 1.81 2.02 -0.72 -3.26 112.91 113.76 2wg1 h THR 138 Ca -0.02 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2wg1 h THR 138 Cb 0.24 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2wg1 h THR 138 CO 0.03 0.39 -0.02 -0.62 0.37 0.00 0.00 175.52 175.67 2wg1 n GLU 139 N -4.52 2.23 -3.28 6.66 -0.58 -0.37 -4.98 120.64 115.81 2wg1 n GLU 139 Ca -0.05 -1.87 -0.16 0.00 -0.42 0.00 0.00 57.16 54.66 2wg1 n GLU 139 Cb 0.37 -1.45 0.08 0.00 -0.57 0.00 0.00 31.44 29.86 2wg1 n GLU 139 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2wg1 n GLU 140 N 1.27 -5.96 -4.35 3.49 4.07 -0.22 -5.02 120.64 113.92 2wg1 n GLU 140 Ca 0.14 0.73 -0.23 0.00 -0.06 0.00 0.00 57.16 57.73 2wg1 n GLU 140 Cb 0.58 -5.40 -0.08 0.00 -0.06 0.00 0.00 31.44 26.48 2wg1 n GLU 140 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2wg1 s VAL 141 N -3.30 3.14 -0.31 6.31 -7.23 -1.06 -4.66 120.40 113.29 2wg1 s VAL 141 Ca 0.11 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 58.00 2wg1 s VAL 141 Cb -0.05 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2wg1 s VAL 141 CO 0.63 -0.38 0.68 -0.69 -0.31 0.00 0.00 175.10 175.02 2wg1 s VAL 142 N -2.38 4.89 -0.27 1.32 1.01 -0.48 -4.36 120.40 120.13 2wg1 s VAL 142 Ca 0.31 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 2wg1 s VAL 142 Cb -0.06 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2wg1 s VAL 142 CO 0.18 -0.19 0.08 -0.22 0.00 0.00 0.00 175.10 174.95 2wg1 s LEU 143 N 2.72 3.60 -0.09 3.92 1.98 -0.76 -1.35 118.68 128.70 2wg1 s LEU 143 Ca 0.27 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 2wg1 s LEU 143 Cb -0.15 -1.92 -0.03 0.00 0.66 0.00 0.00 46.19 44.76 2wg1 s LEU 143 CO 0.12 -0.09 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.73 2wg1 s VAL 144 N 1.59 3.65 -0.11 1.68 1.01 0.95 -0.62 120.40 128.56 2wg1 s VAL 144 Ca 0.05 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wg1 s VAL 144 Cb -0.16 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 2wg1 s VAL 144 CO 0.04 0.57 -0.23 -0.94 0.00 0.00 0.00 175.10 174.54 2wg1 s SER 145 N -0.51 3.17 0.61 3.32 1.04 -0.33 0.45 113.70 121.45 2wg1 s SER 145 Ca 0.08 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 56.04 2wg1 s SER 145 Cb -0.12 -1.43 0.10 0.00 0.10 0.00 0.00 66.02 64.67 2wg1 s SER 145 CO 0.02 0.16 0.85 -1.48 0.98 0.00 0.00 173.24 173.76 2wg1 s LEU 146 N 0.37 3.04 0.26 2.42 0.05 -1.04 -1.23 118.68 122.56 2wg1 s LEU 146 Ca -0.18 -0.80 0.01 0.00 0.05 0.00 0.00 54.13 53.22 2wg1 s LEU 146 Cb -0.18 -1.61 -0.05 0.00 -2.05 0.00 0.00 46.19 42.30 2wg1 s LEU 146 CO 0.08 -1.49 0.11 -0.94 -0.55 0.00 0.00 176.35 173.56 2wg1 s SER 147 N -4.71 1.21 -0.02 1.48 1.04 -1.11 -4.60 113.70 106.98 2wg1 s SER 147 Ca 0.63 -1.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.36 2wg1 s SER 147 Cb -0.05 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.37 2wg1 s SER 147 CO 0.40 -0.76 0.76 -0.72 0.98 0.00 0.00 173.24 173.90 2wg1 s TYR 148 N -3.75 -0.52 0.22 5.02 1.13 -1.26 -4.44 117.35 113.74 2wg1 s TYR 148 Ca 0.37 0.71 -0.30 0.00 -1.41 0.00 0.00 57.07 56.45 2wg1 s TYR 148 Cb 0.07 0.47 -0.09 0.00 -1.10 0.00 0.00 41.96 41.31 2wg1 s TYR 148 CO 0.14 -0.59 1.37 1.03 -2.51 0.00 0.00 175.55 174.99 2wg1 s ARG 149 N -2.01 4.33 0.44 -3.49 0.52 -1.26 -4.88 118.95 112.60 2wg1 s ARG 149 Ca -0.04 2.17 0.06 0.00 -0.52 0.00 0.00 55.73 57.40 2wg1 s ARG 149 Cb -0.00 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 2wg1 s ARG 149 CO 0.00 -0.34 0.10 0.14 0.02 0.00 0.00 175.30 175.23 2wg1 s VAL 150 N 0.09 1.91 0.00 3.52 -7.23 -1.26 -4.08 120.40 113.35 2wg1 s VAL 150 Ca 0.58 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2wg1 s VAL 150 Cb -0.39 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2wg1 s VAL 150 CO 0.40 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 2wg1 n GLY 151 N -1.19 0.19 0.35 2.32 0.00 0.59 -2.74 105.19 104.71 2wg1 n GLY 151 Ca -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.05 2wg1 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg1 h ALA 152 N -0.62 1.55 -0.92 4.61 0.00 -1.90 -1.37 119.26 120.60 2wg1 h ALA 152 Ca 0.00 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2wg1 h ALA 152 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 2wg1 h ALA 152 CO 0.00 0.38 0.61 0.74 0.00 0.00 0.00 179.25 180.98 2wg1 h PHE 153 N 0.93 0.49 0.00 0.00 0.04 -1.93 -0.22 116.94 116.24 2wg1 h PHE 153 Ca 0.30 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 2wg1 h PHE 153 Cb 0.03 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2wg1 h PHE 153 CO -0.00 0.12 -1.92 0.41 -0.60 0.00 0.00 178.31 176.31 2wg1 n GLY 154 N -1.54 -0.90 0.00 -1.45 0.00 -0.64 -4.21 105.19 96.46 2wg1 n GLY 154 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2wg1 n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wg1 n PHE 155 N -2.22 0.00 -1.65 1.61 3.72 -0.61 -0.37 117.46 117.94 2wg1 n PHE 155 Ca -0.06 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 56.83 2wg1 n PHE 155 Cb 0.56 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.05 2wg1 n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2wg1 n LEU 156 N 0.00 2.47 -3.88 4.37 7.94 -0.12 -4.43 117.00 123.34 2wg1 n LEU 156 Ca 0.00 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 2wg1 n LEU 156 Cb 0.26 -1.27 -0.16 0.00 0.53 0.00 0.00 43.42 42.78 2wg1 n LEU 156 CO 0.00 -0.56 -0.40 0.00 -1.11 0.00 0.00 177.39 175.32 2wg1 s ALA 157 N 1.75 1.80 -0.78 1.96 0.00 -1.26 -2.97 121.76 122.26 2wg1 s ALA 157 Ca 0.87 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2wg1 s ALA 157 Cb -0.86 -1.44 0.19 0.00 0.00 0.00 0.00 23.12 21.01 2wg1 s ALA 157 CO 0.49 -1.28 0.61 -0.51 0.00 0.00 0.00 175.76 175.08 2wg1 s LEU 158 N 1.47 5.18 0.21 0.00 1.43 0.29 -2.44 118.68 124.82 2wg1 s LEU 158 Ca -0.02 -3.68 -0.32 0.00 -1.03 0.00 0.00 54.13 49.07 2wg1 s LEU 158 Cb -0.18 -1.78 -0.13 0.00 0.03 0.00 0.00 46.19 44.13 2wg1 s LEU 158 CO -0.09 -0.16 1.58 1.57 0.23 0.00 0.00 176.35 179.49 2wg1 n HIS 159 N 2.30 2.48 0.00 0.29 -0.00 -1.26 -1.39 115.22 117.64 2wg1 n HIS 159 Ca 0.19 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2wg1 n HIS 159 Cb 0.36 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.78 2wg1 n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wg1 n GLY 160 N 3.05 2.51 3.84 1.57 0.00 -1.26 -5.07 105.19 109.84 2wg1 n GLY 160 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2wg1 n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wg1 s SER 161 N -0.42 6.83 0.00 1.61 0.15 -0.49 -4.98 113.70 116.40 2wg1 s SER 161 Ca 0.00 1.23 0.19 0.00 0.70 0.00 0.00 55.95 58.06 2wg1 s SER 161 Cb 0.00 -2.35 -0.15 0.00 -1.71 0.00 0.00 66.02 61.81 2wg1 s SER 161 CO 0.00 -0.08 0.83 0.00 1.20 0.00 0.00 173.24 175.19 2wg1 n GLN 162 N 0.11 1.05 0.08 5.44 1.13 -1.26 -3.73 117.38 120.19 2wg1 n GLN 162 Ca 0.00 -0.22 -0.02 0.00 -1.94 0.00 0.00 57.00 54.82 2wg1 n GLN 162 Cb 0.52 -1.37 -0.06 0.00 0.11 0.00 0.00 30.24 29.44 2wg1 n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wg1 h GLU 163 N 0.52 0.00 -1.56 -1.09 4.39 -1.93 -3.41 114.58 111.49 2wg1 h GLU 163 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 2wg1 h GLU 163 Cb 0.49 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.83 2wg1 h GLU 163 CO 0.00 0.59 -0.87 0.00 -1.16 0.00 0.00 179.01 177.58 2wg1 n ALA 164 N -2.33 1.18 0.98 3.43 0.00 -1.26 -3.18 120.51 119.32 2wg1 n ALA 164 Ca -0.03 -2.59 0.13 0.00 0.00 0.00 0.00 53.44 50.95 2wg1 n ALA 164 Cb 0.85 -0.99 0.52 0.00 0.00 0.00 0.00 19.45 19.82 2wg1 n ALA 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wg1 n PRO 165 N 2.06 0.02 0.00 0.00 -0.04 -1.24 -0.55 135.00 135.25 2wg1 n PRO 165 Ca 0.21 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2wg1 n PRO 165 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2wg1 n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wg1 n GLY 166 N 1.49 0.26 3.02 0.55 0.00 -1.16 -4.46 105.19 104.89 2wg1 n GLY 166 Ca 0.07 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2wg1 n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wg1 n ASN 167 N -0.71 -5.02 0.12 1.61 3.02 -1.26 -4.83 115.26 108.20 2wg1 n ASN 167 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 2wg1 n ASN 167 Cb 0.00 -3.19 0.41 0.00 -0.61 0.00 0.00 39.78 36.39 2wg1 n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2wg1 h VAL 168 N 0.00 1.16 -0.61 2.41 -1.51 -1.78 -0.49 116.25 115.43 2wg1 h VAL 168 Ca 0.00 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2wg1 h VAL 168 Cb 0.84 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 2wg1 h VAL 168 CO 0.00 0.22 0.36 1.23 -1.23 0.00 0.00 177.57 178.16 2wg1 h GLY 169 N 0.69 0.88 1.20 5.19 0.00 -0.90 0.50 103.07 110.62 2wg1 h GLY 169 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2wg1 h GLY 169 CO 0.02 0.35 -0.16 1.41 0.00 0.00 0.00 176.54 178.15 2wg1 h LEU 170 N 0.84 0.94 -1.13 3.11 3.38 -1.37 -2.43 115.31 118.64 2wg1 h LEU 170 Ca 0.22 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2wg1 h LEU 170 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2wg1 h LEU 170 CO -0.04 1.09 -0.06 -0.07 0.09 0.00 0.00 178.44 179.44 2wg1 h LEU 171 N 0.82 0.52 -0.18 1.67 3.38 -0.82 -0.44 115.31 120.25 2wg1 h LEU 171 Ca 0.12 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wg1 h LEU 171 Cb 0.71 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2wg1 h LEU 171 CO 0.05 0.63 -0.13 0.44 0.09 0.00 0.00 178.44 179.52 2wg1 h ASP 172 N 0.51 -0.43 -0.86 -0.43 3.32 -0.74 0.10 116.42 117.90 2wg1 h ASP 172 Ca 0.10 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.28 2wg1 h ASP 172 Cb 0.42 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 2wg1 h ASP 172 CO 0.02 -0.17 0.55 1.56 -1.72 0.00 0.00 179.24 179.48 2wg1 h GLN 173 N -0.14 1.03 -0.63 3.56 4.20 -0.92 -2.13 115.11 120.09 2wg1 h GLN 173 Ca 0.11 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2wg1 h GLN 173 Cb 0.30 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2wg1 h GLN 173 CO -0.27 0.68 0.13 -0.09 -0.67 0.00 0.00 178.83 178.61 2wg1 h ARG 174 N 1.06 1.02 -0.73 1.46 2.43 -0.53 -1.13 114.38 117.96 2wg1 h ARG 174 Ca 0.35 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2wg1 h ARG 174 Cb 0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2wg1 h ARG 174 CO -0.12 0.94 0.37 1.98 -1.51 0.00 0.00 179.97 181.63 2wg1 h MET 175 N 0.93 1.04 -0.51 0.20 4.05 -0.25 0.11 114.93 120.50 2wg1 h MET 175 Ca 0.19 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2wg1 h MET 175 Cb 0.40 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2wg1 h MET 175 CO 0.01 0.80 0.02 0.00 0.23 0.00 0.00 176.91 177.97 2wg1 h ALA 176 N 1.19 1.09 -0.31 0.39 0.00 -1.23 0.33 119.26 120.71 2wg1 h ALA 176 Ca 0.25 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2wg1 h ALA 176 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wg1 h ALA 176 CO -0.04 0.58 -0.14 -0.07 0.00 0.00 0.00 179.25 179.59 2wg1 h LEU 177 N 0.78 0.53 -0.39 0.00 3.38 -0.34 -1.22 115.31 118.04 2wg1 h LEU 177 Ca 0.15 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2wg1 h LEU 177 Cb 0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wg1 h LEU 177 CO 0.02 0.70 0.03 -0.61 0.09 0.00 0.00 178.44 178.66 2wg1 h GLN 178 N 0.50 0.68 -0.61 1.13 5.75 -0.38 -1.13 115.11 121.03 2wg1 h GLN 178 Ca 0.09 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2wg1 h GLN 178 Cb 0.53 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 2wg1 h GLN 178 CO 0.03 0.75 0.29 2.35 -2.65 0.00 0.00 178.83 179.61 2wg1 h TRP 179 N 0.51 0.88 -0.30 3.99 7.01 -0.72 -0.53 115.95 126.79 2wg1 h TRP 179 Ca 0.12 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2wg1 h TRP 179 Cb 0.43 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2wg1 h TRP 179 CO 0.03 0.67 0.20 0.28 -2.79 0.00 0.00 178.44 176.83 2wg1 h VAL 180 N 0.83 1.08 -0.52 2.65 2.07 -1.15 0.58 116.25 121.80 2wg1 h VAL 180 Ca 0.21 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2wg1 h VAL 180 Cb 0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2wg1 h VAL 180 CO -0.03 0.08 0.31 -0.74 0.02 0.00 0.00 177.57 177.22 2wg1 h HIS 181 N 0.40 0.59 -0.16 1.57 -0.00 -0.88 0.49 115.15 117.16 2wg1 h HIS 181 Ca 0.11 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.36 2wg1 h HIS 181 Cb -0.04 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2wg1 h HIS 181 CO -0.05 0.34 -0.46 -0.44 -0.00 0.00 0.00 177.93 177.31 2wg1 h ASP 182 N 0.62 0.45 0.00 3.26 3.32 -0.95 -3.41 116.42 119.71 2wg1 h ASP 182 Ca 0.21 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wg1 h ASP 182 Cb 0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wg1 h ASP 182 CO -0.09 0.85 -0.33 0.59 -1.72 0.00 0.00 179.24 178.53 2wg1 n ASN 183 N -3.99 1.65 0.30 6.45 3.02 0.18 -4.76 115.26 118.12 2wg1 n ASN 183 Ca -0.02 -0.27 0.18 0.00 -0.03 0.00 0.00 54.58 54.44 2wg1 n ASN 183 Cb 0.54 0.87 0.93 0.00 -0.61 0.00 0.00 39.78 41.51 2wg1 n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2wg1 h ILE 184 N 0.00 0.21 -0.55 2.41 6.09 -1.05 -1.87 117.51 122.75 2wg1 h ILE 184 Ca 0.00 -0.27 0.05 0.00 -1.37 0.00 0.00 64.86 63.27 2wg1 h ILE 184 Cb 0.00 1.22 -0.03 0.00 0.47 0.00 0.00 36.82 38.47 2wg1 h ILE 184 CO 0.00 0.03 0.37 0.06 -3.07 0.00 0.00 178.15 175.54 2wg1 h GLN 185 N 0.00 0.53 0.00 2.19 3.07 -1.78 -0.09 115.11 119.03 2wg1 h GLN 185 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2wg1 h GLN 185 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2wg1 h GLN 185 CO 0.00 0.35 0.00 1.19 0.09 0.00 0.00 178.83 180.46 2wg1 n PHE 186 N -4.47 0.83 0.34 0.06 3.72 -0.70 -1.64 117.46 115.59 2wg1 n PHE 186 Ca 0.07 0.32 0.10 0.00 -0.05 0.00 0.00 57.45 57.89 2wg1 n PHE 186 Cb 0.22 -1.01 0.18 0.00 -0.94 0.00 0.00 39.48 37.92 2wg1 n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wg1 n PHE 187 N -2.25 0.39 -0.41 1.38 3.01 -0.36 -4.88 117.46 114.33 2wg1 n PHE 187 Ca 0.02 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2wg1 n PHE 187 Cb 0.25 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2wg1 n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wg1 n GLY 188 N 1.28 0.77 3.84 1.37 0.00 -0.65 -4.54 105.19 107.25 2wg1 n GLY 188 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2wg1 n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wg1 s GLY 189 N -1.84 2.43 -0.45 -0.02 0.00 -0.19 -0.60 107.32 106.65 2wg1 s GLY 189 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 2wg1 s GLY 189 CO 0.00 0.36 0.65 -0.35 0.00 0.00 0.00 173.10 173.75 2wg1 s ASP 190 N -2.06 6.31 0.00 1.64 2.15 0.50 -3.16 116.67 122.06 2wg1 s ASP 190 Ca 0.51 -0.40 0.11 0.00 0.43 0.00 0.00 52.55 53.19 2wg1 s ASP 190 Cb -0.12 -2.32 0.46 0.00 -0.30 0.00 0.00 42.92 40.64 2wg1 s ASP 190 CO 0.19 -0.80 1.33 -0.81 -0.17 0.00 0.00 175.17 174.90 2wg1 n PRO 191 N 6.28 0.02 -0.07 4.34 -0.04 -1.26 -1.63 135.00 142.64 2wg1 n PRO 191 Ca -0.02 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2wg1 n PRO 191 Cb 0.48 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 2wg1 n PRO 191 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wg1 n LYS 192 N -1.48 2.06 -2.93 0.54 2.85 -1.26 -4.24 118.16 113.71 2wg1 n LYS 192 Ca 0.03 -1.57 -0.20 0.00 -1.05 0.00 0.00 58.31 55.52 2wg1 n LYS 192 Cb 0.12 -1.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.02 2wg1 n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wg1 n THR 193 N 0.84 1.24 -3.39 0.58 -1.04 -0.65 -4.74 114.28 107.11 2wg1 n THR 193 Ca 0.17 -4.59 -0.39 0.00 -2.04 0.00 0.00 64.05 57.20 2wg1 n THR 193 Cb 0.47 -0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 68.40 2wg1 n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wg1 s VAL 194 N -3.50 5.19 -0.24 12.58 1.01 -1.26 -1.94 120.40 132.24 2wg1 s VAL 194 Ca 0.41 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 2wg1 s VAL 194 Cb 0.36 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2wg1 s VAL 194 CO -0.09 0.21 0.22 -0.89 0.00 0.00 0.00 175.10 174.56 2wg1 s THR 195 N 1.64 5.31 0.02 3.92 2.01 0.09 -0.27 115.64 128.37 2wg1 s THR 195 Ca 0.17 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 2wg1 s THR 195 Cb -0.15 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 2wg1 s THR 195 CO 0.08 0.30 0.61 0.27 -0.69 0.00 0.00 174.62 175.20 2wg1 s ILE 196 N 1.30 4.83 0.01 1.82 -4.36 -0.63 -0.54 121.20 123.63 2wg1 s ILE 196 Ca 0.10 1.30 -0.05 0.00 -0.26 0.00 0.00 60.65 61.74 2wg1 s ILE 196 Cb -0.14 -3.95 -0.01 0.00 1.25 0.00 0.00 42.46 39.61 2wg1 s ILE 196 CO 0.07 0.45 0.08 0.72 0.24 0.00 0.00 174.94 176.49 2wg1 s PHE 197 N -0.41 0.12 0.02 1.37 -0.71 0.07 -1.15 117.98 117.28 2wg1 s PHE 197 Ca 0.32 -0.27 -0.28 0.00 -1.04 0.00 0.00 56.93 55.65 2wg1 s PHE 197 Cb -0.19 -0.10 0.10 0.00 -1.21 0.00 0.00 43.02 41.62 2wg1 s PHE 197 CO 0.19 -0.26 0.91 0.20 -1.34 0.00 0.00 175.22 174.92 2wg1 s GLY 198 N -1.43 -0.42 -0.02 1.99 0.00 -1.11 -0.24 107.32 106.08 2wg1 s GLY 198 Ca -0.15 0.87 0.07 0.00 0.00 0.00 0.00 44.72 45.51 2wg1 s GLY 198 CO 0.01 0.28 -0.23 1.85 0.00 0.00 0.00 173.10 175.00 2wg1 s GLU 199 N -3.12 2.18 7.97 2.90 -6.30 -1.24 -1.18 118.70 119.92 2wg1 s GLU 199 Ca 0.06 -0.89 0.00 0.00 -2.50 0.00 0.00 54.97 51.65 2wg1 s GLU 199 Cb -0.01 -2.11 0.00 0.00 0.00 0.00 0.00 34.13 32.01 2wg1 s GLU 199 CO -0.07 0.57 0.00 0.45 0.02 0.00 0.00 175.26 176.23 2wg1 n SER 200 N 2.37 0.00 0.04 -1.70 2.88 0.93 -0.52 113.62 117.62 2wg1 n SER 200 Ca -0.16 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.59 2wg1 n SER 200 Cb 0.51 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.71 2wg1 n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wg1 h ALA 201 N -0.95 2.31 -0.10 -1.46 0.00 -1.87 0.24 119.26 117.42 2wg1 h ALA 201 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2wg1 h ALA 201 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wg1 h ALA 201 CO 0.00 -0.68 -0.66 0.78 0.00 0.00 0.00 179.25 178.70 2wg1 h GLY 202 N 0.00 0.46 0.95 0.00 0.00 -0.83 -0.10 103.07 103.56 2wg1 h GLY 202 Ca 0.23 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2wg1 h GLY 202 CO -0.00 0.53 -0.32 -1.33 0.00 0.00 0.00 176.54 175.42 2wg1 h GLY 203 N 1.25 0.72 0.56 4.60 0.00 -0.56 -1.19 103.07 108.46 2wg1 h GLY 203 Ca -0.02 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.60 2wg1 h GLY 203 CO 0.11 0.70 0.18 0.00 0.00 0.00 0.00 176.54 177.54 2wg1 h ALA 204 N 0.66 0.59 -0.21 3.60 0.00 -1.04 -1.66 119.26 121.21 2wg1 h ALA 204 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2wg1 h ALA 204 Cb 0.90 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2wg1 h ALA 204 CO 0.08 -0.21 -0.24 0.77 0.00 0.00 0.00 179.25 179.65 2wg1 h SER 205 N 0.36 -0.77 -0.38 0.00 0.02 -0.91 0.10 113.55 111.97 2wg1 h SER 205 Ca 0.23 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 2wg1 h SER 205 Cb 0.23 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 2wg1 h SER 205 CO -0.23 -0.28 -0.15 0.58 -1.14 0.00 0.00 176.83 175.61 2wg1 h VAL 206 N -0.26 0.52 -0.25 2.27 2.07 -0.86 0.36 116.25 120.09 2wg1 h VAL 206 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2wg1 h VAL 206 Cb 0.46 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2wg1 h VAL 206 CO -0.37 0.00 0.13 1.23 0.02 0.00 0.00 177.57 178.58 2wg1 h GLY 207 N -0.07 0.36 1.58 2.17 0.00 -0.86 -1.69 103.07 104.57 2wg1 h GLY 207 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 2wg1 h GLY 207 CO -0.43 0.14 -0.36 -0.33 0.00 0.00 0.00 176.54 175.56 2wg1 h MET 208 N 0.34 0.47 -0.03 4.80 2.86 0.12 -1.85 114.93 121.65 2wg1 h MET 208 Ca 0.09 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 2wg1 h MET 208 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2wg1 h MET 208 CO -0.01 0.76 -0.60 0.45 1.06 0.00 0.00 176.91 178.57 2wg1 h HIS 209 N 0.40 0.14 -0.94 -0.22 3.86 -0.66 0.89 115.15 118.63 2wg1 h HIS 209 Ca 0.04 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2wg1 h HIS 209 Cb 0.81 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 2wg1 h HIS 209 CO 0.03 0.68 0.58 0.82 0.86 0.00 0.00 177.93 180.89 2wg1 h ILE 210 N 0.08 1.25 0.03 2.45 2.04 -1.07 -3.25 117.51 119.04 2wg1 h ILE 210 Ca -0.01 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 2wg1 h ILE 210 Cb 1.07 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2wg1 h ILE 210 CO 0.08 0.26 -0.38 -0.07 0.00 0.00 0.00 178.15 178.05 2wg1 h LEU 211 N 1.28 0.29 -9.09 1.44 4.07 -1.03 0.90 115.31 113.16 2wg1 h LEU 211 Ca 0.34 -0.84 -0.56 0.00 0.08 0.00 0.00 57.88 56.90 2wg1 h LEU 211 Cb -0.08 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 2wg1 h LEU 211 CO -0.07 1.09 1.07 -0.55 -1.08 0.00 0.00 178.44 178.90 2wg1 s SER 212 N -6.49 6.56 0.32 -0.43 0.15 0.28 -4.61 113.70 109.48 2wg1 s SER 212 Ca -0.15 1.72 0.09 0.00 0.70 0.00 0.00 55.95 58.31 2wg1 s SER 212 Cb 0.01 -2.53 0.90 0.00 -1.71 0.00 0.00 66.02 62.69 2wg1 s SER 212 CO 0.76 -1.09 1.69 -0.65 1.20 0.00 0.00 173.24 175.16 2wg1 h PRO 213 N 9.91 0.42 0.00 5.44 0.11 -1.87 -0.23 132.00 145.78 2wg1 h PRO 213 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2wg1 h PRO 213 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wg1 h PRO 213 CO 0.99 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.47 2wg1 n GLY 214 N -1.32 -0.80 0.02 -0.55 0.00 -1.26 -3.34 105.19 97.95 2wg1 n GLY 214 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2wg1 n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wg1 n SER 215 N -1.16 3.12 -0.29 1.61 7.64 -0.12 -4.80 113.62 119.63 2wg1 n SER 215 Ca 0.12 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.13 2wg1 n SER 215 Cb 0.12 0.95 0.39 0.00 -1.01 0.00 0.00 64.21 64.65 2wg1 n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wg1 h ARG 216 N 0.00 0.64 0.00 1.43 3.08 -1.51 -1.56 114.38 116.47 2wg1 h ARG 216 Ca -0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2wg1 h ARG 216 Cb 1.05 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2wg1 h ARG 216 CO 0.01 0.43 -0.04 -0.25 -1.07 0.00 0.00 179.97 179.04 2wg1 n ASP 217 N -4.60 0.18 -0.31 7.04 8.00 -1.26 -3.77 116.55 121.83 2wg1 n ASP 217 Ca 0.19 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.27 2wg1 n ASP 217 Cb 0.54 -0.49 0.54 0.00 -0.02 0.00 0.00 41.12 41.69 2wg1 n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wg1 n LEU 218 N -1.64 0.95 -3.78 0.64 4.77 -0.59 -4.91 117.00 112.44 2wg1 n LEU 218 Ca 0.07 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 2wg1 n LEU 218 Cb 0.36 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2wg1 n LEU 218 CO 0.28 0.18 0.32 0.72 -1.33 0.00 0.00 177.39 177.56 2wg1 s PHE 219 N -1.92 -0.10 -0.22 -1.77 -0.71 -1.25 -4.78 117.98 107.23 2wg1 s PHE 219 Ca 0.35 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2wg1 s PHE 219 Cb 0.18 0.45 -0.14 0.00 -1.21 0.00 0.00 43.02 42.30 2wg1 s PHE 219 CO 0.28 -1.00 -0.21 -2.13 -1.34 0.00 0.00 175.22 170.82 2wg1 n ARG 220 N -0.38 0.55 -3.95 1.99 3.00 0.63 -4.95 116.66 113.55 2wg1 n ARG 220 Ca -0.08 0.14 -0.12 0.00 -0.00 0.00 0.00 57.85 57.79 2wg1 n ARG 220 Cb 0.62 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.64 2wg1 n ARG 220 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wg1 s ARG 221 N -2.44 2.11 -0.14 -0.14 1.70 -1.11 -4.64 118.95 114.29 2wg1 s ARG 221 Ca -0.30 -1.63 -0.15 0.00 -0.47 0.00 0.00 55.73 53.17 2wg1 s ARG 221 Cb 0.08 0.54 0.04 0.00 -0.57 0.00 0.00 34.95 35.04 2wg1 s ARG 221 CO 0.50 -0.94 0.42 0.00 -1.08 0.00 0.00 175.30 174.21 2wg1 s ALA 222 N -2.59 -1.05 -0.09 7.88 0.00 -1.17 -1.60 121.76 123.14 2wg1 s ALA 222 Ca 0.23 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.33 2wg1 s ALA 222 Cb -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2wg1 s ALA 222 CO 0.17 -0.22 -0.17 0.42 0.00 0.00 0.00 175.76 175.96 2wg1 s ILE 223 N -0.01 1.56 -0.19 0.00 1.01 -0.30 -1.54 121.20 121.74 2wg1 s ILE 223 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2wg1 s ILE 223 Cb -0.03 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 41.08 2wg1 s ILE 223 CO 0.01 0.45 -0.17 -0.76 0.00 0.00 0.00 174.94 174.47 2wg1 s LEU 224 N 0.62 2.22 -0.28 2.97 1.02 -0.35 -2.76 118.68 122.11 2wg1 s LEU 224 Ca -0.14 -0.73 -0.07 0.00 0.02 0.00 0.00 54.13 53.21 2wg1 s LEU 224 Cb -0.16 -1.43 0.00 0.00 0.02 0.00 0.00 46.19 44.62 2wg1 s LEU 224 CO 0.04 -0.04 0.07 -1.10 0.02 0.00 0.00 176.35 175.34 2wg1 s GLN 225 N 1.31 3.18 -1.48 1.70 -0.21 -0.32 -2.26 119.66 121.57 2wg1 s GLN 225 Ca 0.03 -0.80 -0.12 0.00 0.02 0.00 0.00 55.36 54.49 2wg1 s GLN 225 Cb -0.14 -3.34 0.06 0.00 1.00 0.00 0.00 33.01 30.59 2wg1 s GLN 225 CO -0.11 -0.40 1.02 0.43 -2.12 0.00 0.00 175.29 174.11 2wg1 n SER 226 N 4.87 -5.32 -3.60 5.90 7.64 0.26 -0.05 113.62 123.32 2wg1 n SER 226 Ca -0.15 -0.68 -0.09 0.00 1.01 0.00 0.00 58.87 58.97 2wg1 n SER 226 Cb 0.49 -4.23 -0.05 0.00 -1.01 0.00 0.00 64.21 59.40 2wg1 n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wg1 s GLY 227 N -3.26 -0.16 -0.01 0.23 0.00 -1.26 -3.30 107.32 99.56 2wg1 s GLY 227 Ca 0.63 2.33 -0.21 0.00 0.00 0.00 0.00 44.72 47.47 2wg1 s GLY 227 CO 0.77 1.22 0.46 -1.35 0.00 0.00 0.00 173.10 174.21 2wg1 s SER 228 N -0.82 -0.38 0.49 1.64 1.04 -1.26 -4.10 113.70 110.32 2wg1 s SER 228 Ca 0.01 0.27 0.23 0.00 0.48 0.00 0.00 55.95 56.94 2wg1 s SER 228 Cb -0.01 0.42 1.25 0.00 0.10 0.00 0.00 66.02 67.78 2wg1 s SER 228 CO -0.02 -0.57 2.02 1.55 0.98 0.00 0.00 173.24 177.20 2wg1 h PRO 229 N 3.32 0.00 -0.13 4.02 0.13 -1.80 -2.13 132.00 135.40 2wg1 h PRO 229 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2wg1 h PRO 229 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wg1 h PRO 229 CO 0.41 0.17 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 2wg1 n ASN 230 N -3.80 1.13 -4.61 1.44 6.94 -1.26 -4.75 115.26 110.35 2wg1 n ASN 230 Ca -0.02 -1.69 -0.42 0.00 -0.02 0.00 0.00 54.58 52.43 2wg1 n ASN 230 Cb 0.27 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2wg1 n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wg1 h PRO 232 N 1.72 0.00 -0.00 0.00 0.13 -1.85 -1.87 132.00 130.14 2wg1 h PRO 232 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wg1 h PRO 232 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2wg1 h PRO 232 CO 0.58 0.03 -0.58 -2.67 -0.23 0.00 0.00 178.00 175.13 2wg1 n TRP 233 N -3.24 0.00 1.06 1.56 4.27 -1.26 -4.53 117.44 115.30 2wg1 n TRP 233 Ca -0.01 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.72 2wg1 n TRP 233 Cb 0.19 -0.17 0.27 0.00 -1.36 0.00 0.00 31.31 30.24 2wg1 n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2wg1 n ALA 234 N -1.34 3.48 -3.15 -1.67 0.00 -0.70 -4.62 120.51 112.51 2wg1 n ALA 234 Ca 0.06 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 2wg1 n ALA 234 Cb 0.34 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 2wg1 n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wg1 s SER 235 N -2.87 -0.31 0.17 0.00 1.04 -1.26 -3.66 113.70 106.81 2wg1 s SER 235 Ca 0.14 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.31 2wg1 s SER 235 Cb 0.18 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 2wg1 s SER 235 CO 0.66 -0.92 -0.02 0.68 0.98 0.00 0.00 173.24 174.62 2wg1 s VAL 236 N -3.81 0.82 0.83 5.02 -7.23 -0.38 -4.97 120.40 110.67 2wg1 s VAL 236 Ca 0.04 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 2wg1 s VAL 236 Cb 0.01 -2.09 0.09 0.00 0.56 0.00 0.00 36.38 34.95 2wg1 s VAL 236 CO -0.10 -0.52 1.09 -0.94 -0.31 0.00 0.00 175.10 174.32 2wg1 s SER 237 N -3.19 4.10 0.24 4.85 1.04 -1.26 -1.89 113.70 117.60 2wg1 s SER 237 Ca 0.23 1.54 -0.07 0.00 0.48 0.00 0.00 55.95 58.13 2wg1 s SER 237 Cb 0.05 -2.26 0.24 0.00 0.10 0.00 0.00 66.02 64.16 2wg1 s SER 237 CO 0.04 -2.25 1.91 0.58 0.98 0.00 0.00 173.24 174.50 2wg1 h VAL 238 N -1.28 1.23 -0.62 5.02 2.07 -1.94 -0.18 116.25 120.54 2wg1 h VAL 238 Ca -0.47 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2wg1 h VAL 238 Cb 1.26 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2wg1 h VAL 238 CO 0.55 0.23 0.31 0.00 0.02 0.00 0.00 177.57 178.68 2wg1 h ALA 239 N 1.35 0.80 -0.33 1.67 0.00 -1.94 -1.49 119.26 119.31 2wg1 h ALA 239 Ca 0.35 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2wg1 h ALA 239 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2wg1 h ALA 239 CO -0.08 0.35 -0.41 1.49 0.00 0.00 0.00 179.25 180.60 2wg1 h GLU 240 N 0.85 0.81 -0.27 0.00 4.57 -1.82 -0.65 114.58 118.07 2wg1 h GLU 240 Ca 0.22 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2wg1 h GLU 240 Cb 0.09 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2wg1 h GLU 240 CO -0.03 1.07 0.18 0.78 -1.18 0.00 0.00 179.01 179.83 2wg1 h GLY 241 N 0.87 0.38 0.55 1.92 0.00 -1.01 -1.09 103.07 104.69 2wg1 h GLY 241 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2wg1 h GLY 241 CO 0.09 0.14 -0.21 -0.09 0.00 0.00 0.00 176.54 176.47 2wg1 h ARG 242 N 0.36 -0.33 -0.86 4.80 2.43 -0.93 -1.16 114.38 118.70 2wg1 h ARG 242 Ca 0.10 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2wg1 h ARG 242 Cb -0.04 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 2wg1 h ARG 242 CO -0.02 -0.22 0.49 -0.09 -1.51 0.00 0.00 179.97 178.61 2wg1 h ARG 243 N -0.35 0.75 -0.15 0.20 2.43 -0.88 -0.96 114.38 115.43 2wg1 h ARG 243 Ca 0.05 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2wg1 h ARG 243 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2wg1 h ARG 243 CO -0.17 0.50 -0.48 0.00 -1.51 0.00 0.00 179.97 178.30 2wg1 h ARG 244 N 0.77 0.40 -0.42 0.20 3.08 -0.93 -0.48 114.38 117.01 2wg1 h ARG 244 Ca 0.43 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2wg1 h ARG 244 Cb 0.47 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2wg1 h ARG 244 CO -0.28 0.80 0.05 0.00 -1.07 0.00 0.00 179.97 179.46 2wg1 h ALA 245 N 1.17 0.56 -0.31 0.04 0.00 -0.48 -0.44 119.26 119.79 2wg1 h ALA 245 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2wg1 h ALA 245 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wg1 h ALA 245 CO 0.08 0.29 0.15 0.28 0.00 0.00 0.00 179.25 180.06 2wg1 h VAL 246 N 0.56 1.16 -0.64 0.00 2.07 -1.07 -1.75 116.25 116.57 2wg1 h VAL 246 Ca 0.13 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2wg1 h VAL 246 Cb 0.40 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2wg1 h VAL 246 CO 0.01 0.16 0.42 -0.08 0.02 0.00 0.00 177.57 178.10 2wg1 h GLU 247 N 0.37 0.84 -0.11 1.57 4.57 -1.01 0.27 114.58 121.08 2wg1 h GLU 247 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2wg1 h GLU 247 Cb 0.12 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2wg1 h GLU 247 CO -0.01 0.57 0.05 1.25 -1.18 0.00 0.00 179.01 179.68 2wg1 h LEU 248 N 0.87 0.15 -0.47 1.64 5.85 -0.82 -1.15 115.31 121.39 2wg1 h LEU 248 Ca 0.23 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.89 2wg1 h LEU 248 Cb -0.09 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 2wg1 h LEU 248 CO -0.05 0.26 0.04 1.23 -0.34 0.00 0.00 178.44 179.58 2wg1 h GLY 249 N 0.04 0.52 0.34 3.75 0.00 -0.67 -2.16 103.07 104.89 2wg1 h GLY 249 Ca 0.04 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.53 2wg1 h GLY 249 CO -0.00 -0.10 0.51 -0.09 0.00 0.00 0.00 176.54 176.85 2wg1 h ARG 250 N 0.16 0.74 0.00 4.80 2.43 -0.15 -0.97 114.38 121.38 2wg1 h ARG 250 Ca 0.24 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2wg1 h ARG 250 Cb 0.34 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2wg1 h ARG 250 CO -0.36 0.49 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.66 2wg1 h ASN 251 N 0.76 0.00 -0.27 -3.80 2.35 -0.56 -2.84 115.58 111.21 2wg1 h ASN 251 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2wg1 h ASN 251 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2wg1 h ASN 251 CO -0.32 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.66 2wg1 n LEU 252 N -3.17 3.31 -3.67 1.61 4.77 -0.49 -4.97 117.00 114.39 2wg1 n LEU 252 Ca -0.01 -2.53 -0.23 0.00 -0.03 0.00 0.00 56.01 53.20 2wg1 n LEU 252 Cb 0.18 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2wg1 n LEU 252 CO 0.24 0.69 0.11 0.59 -1.33 0.00 0.00 177.39 177.69 2wg1 n ASN 253 N -0.11 -3.80 -4.85 -1.43 4.13 -0.95 -4.98 115.26 103.27 2wg1 n ASN 253 Ca 0.16 -0.69 -0.32 0.00 1.68 0.00 0.00 54.58 55.41 2wg1 n ASN 253 Cb 0.65 -4.52 -0.05 0.00 -1.54 0.00 0.00 39.78 34.31 2wg1 n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wg1 s ASN 255 N -2.65 6.57 -0.16 0.00 3.84 -1.26 -4.75 114.94 116.53 2wg1 s ASN 255 Ca 0.56 2.50 0.16 0.00 0.21 0.00 0.00 52.86 56.29 2wg1 s ASN 255 Cb -0.10 -2.55 0.64 0.00 -0.55 0.00 0.00 41.25 38.69 2wg1 s ASN 255 CO 0.23 -0.93 1.55 0.18 -2.79 0.00 0.00 177.10 175.34 2wg1 n LEU 256 N 6.15 4.55 0.21 3.21 4.77 -1.26 -3.27 117.00 131.35 2wg1 n LEU 256 Ca 0.17 -2.74 0.08 0.00 -0.03 0.00 0.00 56.01 53.49 2wg1 n LEU 256 Cb 0.41 -0.56 0.41 0.00 -2.33 0.00 0.00 43.42 41.35 2wg1 n LEU 256 CO 0.64 0.70 0.76 0.78 -1.33 0.00 0.00 177.39 178.94 2wg1 h ASN 257 N 3.05 0.00 -5.10 -1.43 2.35 -1.95 -3.46 115.58 109.05 2wg1 h ASN 257 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2wg1 h ASN 257 Cb 1.53 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.77 2wg1 h ASN 257 CO 0.28 0.28 -0.10 -0.94 -1.65 0.00 0.00 177.43 175.30 2wg1 s SER 258 N -6.30 -0.19 0.21 5.81 1.04 -1.26 -5.00 113.70 108.01 2wg1 s SER 258 Ca 0.00 -0.40 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 2wg1 s SER 258 Cb 0.11 0.47 0.32 0.00 0.10 0.00 0.00 66.02 67.02 2wg1 s SER 258 CO 0.66 -0.87 1.71 0.44 0.98 0.00 0.00 173.24 176.16 2wg1 h ASP 259 N 2.38 0.06 -0.59 7.02 3.32 -1.96 0.29 116.42 126.95 2wg1 h ASP 259 Ca -0.33 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2wg1 h ASP 259 Cb 1.25 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.91 2wg1 h ASP 259 CO 0.46 0.03 0.36 -0.08 -1.72 0.00 0.00 179.24 178.30 2wg1 h GLU 260 N 0.30 0.80 -0.34 3.56 4.81 -1.98 0.36 114.58 122.09 2wg1 h GLU 260 Ca 0.33 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2wg1 h GLU 260 Cb 0.48 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2wg1 h GLU 260 CO -0.39 0.58 0.13 0.93 -0.73 0.00 0.00 179.01 179.52 2wg1 h GLU 261 N 0.80 0.52 0.10 1.92 4.39 -1.60 -1.85 114.58 118.85 2wg1 h GLU 261 Ca 0.21 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2wg1 h GLU 261 Cb -0.02 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2wg1 h GLU 261 CO -0.04 0.52 -0.05 1.25 -1.16 0.00 0.00 179.01 179.53 2wg1 h LEU 262 N 0.41 -0.11 -0.59 1.33 5.85 0.03 -1.97 115.31 120.25 2wg1 h LEU 262 Ca 0.11 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2wg1 h LEU 262 Cb 0.19 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2wg1 h LEU 262 CO -0.01 -0.02 0.26 0.40 -0.34 0.00 0.00 178.44 178.74 2wg1 h ILE 263 N -0.20 1.22 -0.45 4.05 2.04 -0.33 -0.78 117.51 123.06 2wg1 h ILE 263 Ca -0.01 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2wg1 h ILE 263 Cb 0.16 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2wg1 h ILE 263 CO 0.02 0.26 0.22 -0.74 0.00 0.00 0.00 178.15 177.91 2wg1 h HIS 264 N 0.82 0.41 -0.31 1.37 2.76 -1.27 0.55 115.15 119.47 2wg1 h HIS 264 Ca 0.20 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2wg1 h HIS 264 Cb 0.16 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2wg1 h HIS 264 CO 0.00 0.20 0.18 0.00 -1.30 0.00 0.00 177.93 177.01 2wg1 h LEU 266 N 0.39 0.00 -0.68 0.00 3.38 -0.67 -1.69 115.31 116.05 2wg1 h LEU 266 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wg1 h LEU 266 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wg1 h LEU 266 CO -0.02 0.20 -0.21 0.03 0.09 0.00 0.00 178.44 178.53 2wg1 h ARG 267 N 0.00 0.00 0.00 1.13 3.08 -0.63 -3.08 114.38 114.88 2wg1 h ARG 267 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wg1 h ARG 267 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2wg1 h ARG 267 CO 0.03 0.21 -0.08 0.93 -1.07 0.00 0.00 179.97 179.98 2wg1 h GLU 268 N 0.00 0.00 -6.97 0.04 4.39 -0.99 -3.47 114.58 107.58 2wg1 h GLU 268 Ca -0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2wg1 h GLU 268 Cb 0.91 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2wg1 h GLU 268 CO 0.03 0.08 0.46 0.15 -1.16 0.00 0.00 179.01 178.56 2wg1 s LYS 269 N -3.17 4.02 0.65 2.33 -0.14 -1.17 -5.02 119.74 117.25 2wg1 s LYS 269 Ca 0.07 1.67 -0.17 0.00 -1.36 0.00 0.00 55.97 56.18 2wg1 s LYS 269 Cb 0.05 -2.54 -0.00 0.00 -1.68 0.00 0.00 37.83 33.66 2wg1 s LYS 269 CO 0.68 -0.30 1.20 0.15 -0.76 0.00 0.00 175.35 176.32 2wg1 s LYS 270 N -2.49 2.63 0.23 1.68 1.02 -1.26 -4.94 119.74 116.61 2wg1 s LYS 270 Ca 0.59 1.75 -0.07 0.00 0.02 0.00 0.00 55.97 58.27 2wg1 s LYS 270 Cb -0.26 -1.89 0.33 0.00 -0.52 0.00 0.00 37.83 35.49 2wg1 s LYS 270 CO 0.32 -1.46 1.80 -1.35 -0.92 0.00 0.00 175.35 173.74 2wg1 h PRO 271 N 0.33 0.66 0.00 -1.68 0.11 -1.96 -1.75 132.00 127.71 2wg1 h PRO 271 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2wg1 h PRO 271 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wg1 h PRO 271 CO 0.53 0.44 -0.11 0.37 -0.21 0.00 0.00 178.00 179.02 2wg1 h GLN 272 N 0.68 0.00 -0.52 1.05 5.75 -1.99 -2.10 115.11 117.99 2wg1 h GLN 272 Ca 0.35 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.77 2wg1 h GLN 272 Cb 0.32 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2wg1 h GLN 272 CO -0.24 0.11 0.00 0.93 -2.65 0.00 0.00 178.83 176.98 2wg1 h GLU 273 N 0.00 0.87 -0.15 1.69 5.08 -1.68 0.37 114.58 120.75 2wg1 h GLU 273 Ca -0.00 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2wg1 h GLU 273 Cb 0.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wg1 h GLU 273 CO 0.01 0.87 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.70 2wg1 h LEU 274 N 0.81 0.37 -0.94 1.33 4.07 -1.38 -3.27 115.31 116.29 2wg1 h LEU 274 Ca 0.15 -0.45 0.01 0.00 0.08 0.00 0.00 57.88 57.67 2wg1 h LEU 274 Cb 0.48 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.07 2wg1 h LEU 274 CO 0.02 0.74 0.62 0.40 -1.08 0.00 0.00 178.44 179.14 2wg1 h ILE 275 N 0.00 1.25 -0.04 1.22 2.04 -1.32 -2.12 117.51 118.53 2wg1 h ILE 275 Ca 0.03 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.44 2wg1 h ILE 275 Cb 0.62 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2wg1 h ILE 275 CO 0.03 0.24 0.05 0.44 0.00 0.00 0.00 178.15 178.91 2wg1 h ASP 276 N 1.28 0.00 -0.02 1.72 3.32 -0.97 -2.80 116.42 118.95 2wg1 h ASP 276 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2wg1 h ASP 276 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2wg1 h ASP 276 CO -0.07 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.78 2wg1 n VAL 277 N -3.88 0.09 -0.34 -1.35 0.24 -1.11 -4.79 118.33 107.20 2wg1 n VAL 277 Ca -0.02 -0.55 0.11 0.00 -2.04 0.00 0.00 64.34 61.85 2wg1 n VAL 277 Cb 0.14 1.04 0.29 0.00 -1.47 0.00 0.00 33.84 33.84 2wg1 n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2wg1 h GLU 278 N 0.86 0.69 0.00 7.34 4.81 -1.10 -0.59 114.58 126.58 2wg1 h GLU 278 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wg1 h GLU 278 Cb 0.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wg1 h GLU 278 CO 0.00 0.46 0.00 0.91 -0.73 0.00 0.00 179.01 179.65 2wg1 n TRP 279 N -4.81 0.25 0.88 0.92 7.02 -1.26 -3.36 117.44 117.08 2wg1 n TRP 279 Ca 0.22 0.08 0.11 0.00 -1.02 0.00 0.00 57.50 56.88 2wg1 n TRP 279 Cb 0.54 -0.63 0.51 0.00 -2.42 0.00 0.00 31.31 29.30 2wg1 n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wg1 n ASN 280 N -1.71 0.00 -0.47 -0.99 3.02 -0.23 -3.65 115.26 111.23 2wg1 n ASN 280 Ca 0.05 0.26 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 2wg1 n ASN 280 Cb 0.29 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2wg1 n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wg1 n VAL 281 N -1.40 0.00 -1.91 2.41 0.24 -1.21 -4.95 118.33 111.50 2wg1 n VAL 281 Ca 0.08 -0.25 -0.40 0.00 -2.04 0.00 0.00 64.34 61.73 2wg1 n VAL 281 Cb 0.22 1.15 -0.00 0.00 -1.47 0.00 0.00 33.84 33.74 2wg1 n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wg1 s LEU 282 N -2.48 4.28 0.31 1.34 1.43 -1.24 -4.79 118.68 117.54 2wg1 s LEU 282 Ca 0.19 2.89 0.16 0.00 -1.03 0.00 0.00 54.13 56.34 2wg1 s LEU 282 Cb 0.18 -3.76 0.39 0.00 0.03 0.00 0.00 46.19 43.04 2wg1 s LEU 282 CO 0.56 -0.86 1.60 1.55 0.23 0.00 0.00 176.35 179.43 2wg1 h PRO 283 N 2.89 0.00 -5.51 1.29 0.13 -1.95 -3.46 132.00 125.39 2wg1 h PRO 283 Ca -0.50 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.19 2wg1 h PRO 283 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 2wg1 h PRO 283 CO 0.64 0.50 -0.73 -0.06 -0.23 0.00 0.00 178.00 178.11 2wg1 s PHE 284 N -3.35 1.65 -0.18 1.56 0.08 -1.26 -5.10 117.98 111.38 2wg1 s PHE 284 Ca 0.01 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.18 2wg1 s PHE 284 Cb 0.10 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 2wg1 s PHE 284 CO 0.72 0.32 1.68 0.34 -0.10 0.00 0.00 175.22 178.18 2wg1 s ASP 285 N -3.24 6.38 0.07 1.36 2.15 -1.26 -4.96 116.67 117.16 2wg1 s ASP 285 Ca 0.21 1.80 -0.21 0.00 0.43 0.00 0.00 52.55 54.78 2wg1 s ASP 285 Cb -0.01 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2wg1 s ASP 285 CO 0.06 -1.23 0.50 -0.94 -0.17 0.00 0.00 175.17 173.39 2wg1 s SER 286 N 4.34 -0.41 0.25 -0.34 1.04 -1.26 -4.58 113.70 112.73 2wg1 s SER 286 Ca 0.74 0.07 0.10 0.00 0.48 0.00 0.00 55.95 57.34 2wg1 s SER 286 Cb -0.28 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2wg1 s SER 286 CO 0.30 -0.76 -0.08 0.27 0.98 0.00 0.00 173.24 173.95 2wg1 s ILE 287 N -2.78 3.12 -1.43 -1.02 -4.36 -0.90 -4.74 121.20 109.08 2wg1 s ILE 287 Ca -0.03 -1.99 -0.05 0.00 -0.26 0.00 0.00 60.65 58.31 2wg1 s ILE 287 Cb -0.00 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 41.08 2wg1 s ILE 287 CO -0.04 -0.32 0.68 0.33 0.24 0.00 0.00 174.94 175.82 2wg1 n PHE 288 N -0.61 -2.02 -4.42 1.37 -0.00 -1.26 -4.78 117.46 105.74 2wg1 n PHE 288 Ca -0.07 0.58 -0.20 0.00 -0.00 0.00 0.00 57.45 57.76 2wg1 n PHE 288 Cb 0.58 -4.41 -0.15 0.00 -0.00 0.00 0.00 39.48 35.50 2wg1 n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2wg1 s ARG 289 N -5.75 0.96 0.10 -4.13 1.81 -1.26 -4.63 118.95 106.04 2wg1 s ARG 289 Ca 0.34 -0.33 0.07 0.00 -1.72 0.00 0.00 55.73 54.09 2wg1 s ARG 289 Cb -0.15 -0.90 -0.03 0.00 -0.45 0.00 0.00 34.95 33.42 2wg1 s ARG 289 CO 0.42 0.14 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.93 2wg1 s PHE 290 N 0.09 1.62 -0.03 -0.53 0.08 -1.26 -5.07 117.98 112.87 2wg1 s PHE 290 Ca -0.01 -0.44 -0.19 0.00 0.12 0.00 0.00 56.93 56.41 2wg1 s PHE 290 Cb -0.08 -0.89 -0.13 0.00 -0.57 0.00 0.00 43.02 41.36 2wg1 s PHE 290 CO 0.00 0.17 0.83 0.77 -0.10 0.00 0.00 175.22 176.89 2wg1 h SER 291 N 4.09 -0.34 -3.48 1.36 0.02 -1.89 -3.42 113.55 109.90 2wg1 h SER 291 Ca -0.44 -0.17 -0.71 0.00 -0.84 0.00 0.00 61.79 59.63 2wg1 h SER 291 Cb 1.18 0.09 -0.30 0.00 0.14 0.00 0.00 62.40 63.51 2wg1 h SER 291 CO 0.40 0.13 -0.50 -0.36 -1.14 0.00 0.00 176.83 175.37 2wg1 s PHE 292 N -3.59 3.39 0.31 3.45 0.08 -1.26 -5.00 117.98 115.36 2wg1 s PHE 292 Ca -0.11 -1.77 0.03 0.00 0.12 0.00 0.00 56.93 55.20 2wg1 s PHE 292 Cb 0.01 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.43 2wg1 s PHE 292 CO 0.39 -0.88 0.08 0.14 -0.10 0.00 0.00 175.22 174.85 2wg1 s VAL 293 N 1.35 0.90 0.46 -0.44 -7.23 -1.26 -4.48 120.40 109.69 2wg1 s VAL 293 Ca 0.03 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.99 2wg1 s VAL 293 Cb -0.23 -2.69 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 2wg1 s VAL 293 CO 0.00 0.00 0.57 -2.65 -0.31 0.00 0.00 175.10 172.71 2wg1 n PRO 294 N -0.64 0.62 -5.10 4.82 -0.02 -1.24 -4.69 135.00 128.75 2wg1 n PRO 294 Ca -0.02 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 2wg1 n PRO 294 Cb 0.66 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.40 2wg1 n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wg1 s VAL 295 N -1.52 2.45 -0.93 -1.45 0.11 -1.26 -1.25 120.40 116.55 2wg1 s VAL 295 Ca 0.64 -0.92 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 2wg1 s VAL 295 Cb -0.56 -1.93 0.04 0.00 -1.53 0.00 0.00 36.38 32.40 2wg1 s VAL 295 CO 0.57 0.57 1.40 -0.63 -3.33 0.00 0.00 175.10 173.68 2wg1 s ILE 296 N -0.25 3.85 -1.29 7.04 -1.09 -0.79 -4.77 121.20 123.90 2wg1 s ILE 296 Ca -0.00 -0.38 0.16 0.00 -2.23 0.00 0.00 60.65 58.20 2wg1 s ILE 296 Cb -0.13 -5.01 -0.04 0.00 -1.58 0.00 0.00 42.46 35.70 2wg1 s ILE 296 CO 0.03 -1.91 0.80 -0.90 -1.23 0.00 0.00 174.94 171.73 2wg1 n ASP 297 N 9.07 1.41 0.00 3.58 5.75 -1.26 -4.15 116.55 130.96 2wg1 n ASP 297 Ca 0.23 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2wg1 n ASP 297 Cb 0.50 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 2wg1 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg1 n GLY 298 N 1.19 0.56 1.02 6.12 0.00 -0.51 -4.86 105.19 108.72 2wg1 n GLY 298 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wg1 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wg1 n GLU 299 N -2.38 0.00 -0.17 1.61 2.13 -1.26 -4.53 120.64 116.03 2wg1 n GLU 299 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2wg1 n GLU 299 Cb 0.04 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.79 2wg1 n GLU 299 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2wg1 h PHE 300 N 0.00 0.59 -3.63 4.31 3.04 -1.91 -3.36 116.94 115.98 2wg1 h PHE 300 Ca 0.00 0.02 -0.68 0.00 3.98 0.00 0.00 57.97 61.29 2wg1 h PHE 300 Cb 0.00 -0.19 -0.29 0.00 2.56 0.00 0.00 35.95 38.03 2wg1 h PHE 300 CO 0.00 0.34 -0.66 -0.06 -2.02 0.00 0.00 178.31 175.92 2wg1 s PHE 301 N -6.14 3.18 0.33 0.41 0.08 -1.26 -4.39 117.98 110.18 2wg1 s PHE 301 Ca -0.13 -1.35 0.11 0.00 0.12 0.00 0.00 56.93 55.68 2wg1 s PHE 301 Cb 0.13 -2.20 0.58 0.00 -0.57 0.00 0.00 43.02 40.96 2wg1 s PHE 301 CO 0.74 -0.68 1.75 -1.00 -0.10 0.00 0.00 175.22 175.92 2wg1 h PRO 302 N 8.15 0.03 0.00 0.24 0.13 -1.80 -1.34 132.00 137.41 2wg1 h PRO 302 Ca -0.28 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.50 2wg1 h PRO 302 Cb 1.10 -0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 2wg1 h PRO 302 CO 0.59 0.48 -0.29 0.25 -0.23 0.00 0.00 178.00 178.79 2wg1 n THR 303 N -4.00 0.00 -1.57 1.56 -2.24 -1.26 -4.44 114.28 102.33 2wg1 n THR 303 Ca -0.02 -1.83 -0.39 0.00 -2.27 0.00 0.00 64.05 59.54 2wg1 n THR 303 Cb 0.48 0.98 0.03 0.00 -2.10 0.00 0.00 70.33 69.73 2wg1 n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wg1 n SER 304 N -1.82 0.36 -0.27 3.42 3.41 -1.26 -4.78 113.62 112.68 2wg1 n SER 304 Ca 0.04 0.86 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2wg1 n SER 304 Cb 0.50 -1.31 0.13 0.00 -0.26 0.00 0.00 64.21 63.27 2wg1 n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wg1 h LEU 305 N 0.74 0.67 -0.61 1.04 3.38 -1.99 -2.06 115.31 116.49 2wg1 h LEU 305 Ca -0.46 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2wg1 h LEU 305 Cb 1.37 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2wg1 h LEU 305 CO 0.52 0.42 0.27 -0.08 0.09 0.00 0.00 178.44 179.66 2wg1 h GLU 306 N 0.80 0.89 -0.30 1.13 4.57 -1.99 -0.74 114.58 118.94 2wg1 h GLU 306 Ca 0.35 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2wg1 h GLU 306 Cb 0.22 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2wg1 h GLU 306 CO -0.19 0.74 -0.26 0.66 -1.18 0.00 0.00 179.01 178.77 2wg1 h SER 307 N 0.84 0.60 -0.40 1.04 4.64 -1.81 -0.91 113.55 117.55 2wg1 h SER 307 Ca 0.21 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2wg1 h SER 307 Cb 0.16 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2wg1 h SER 307 CO -0.02 0.85 0.25 0.24 -0.87 0.00 0.00 176.83 177.28 2wg1 h MET 308 N 0.52 0.50 -0.52 4.77 2.86 -1.07 -0.97 114.93 121.01 2wg1 h MET 308 Ca 0.07 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2wg1 h MET 308 Cb 0.72 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2wg1 h MET 308 CO 0.06 0.33 0.19 -0.07 1.06 0.00 0.00 176.91 178.48 2wg1 h LEU 309 N 0.51 0.74 -0.99 1.22 3.38 -0.86 0.12 115.31 119.44 2wg1 h LEU 309 Ca 0.15 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2wg1 h LEU 309 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2wg1 h LEU 309 CO -0.05 0.73 0.20 0.78 0.09 0.00 0.00 178.44 180.18 2wg1 h ASN 310 N 0.71 0.86 0.16 -0.43 2.35 -1.06 -3.21 115.58 114.96 2wg1 h ASN 310 Ca 0.17 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2wg1 h ASN 310 Cb 0.23 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2wg1 h ASN 310 CO -0.01 0.81 -0.34 -1.54 -1.65 0.00 0.00 177.43 174.70 2wg1 n SER 311 N -4.28 1.32 -0.00 5.81 3.41 -0.38 -4.93 113.62 114.56 2wg1 n SER 311 Ca 0.05 -1.07 -0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2wg1 n SER 311 Cb 0.21 0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2wg1 n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg1 n GLY 312 N 1.37 0.38 3.15 5.00 0.00 -0.83 -4.95 105.19 109.31 2wg1 n GLY 312 Ca 0.11 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2wg1 n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wg1 n ASN 313 N 1.99 4.71 -3.59 1.61 5.15 -0.03 -4.83 115.26 120.27 2wg1 n ASN 313 Ca -0.00 -2.95 -0.06 0.00 -0.60 0.00 0.00 54.58 50.97 2wg1 n ASN 313 Cb 0.14 -1.63 -0.02 0.00 -0.53 0.00 0.00 39.78 37.74 2wg1 n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2wg1 s PHE 314 N 2.61 -0.24 0.21 1.20 -0.12 -1.26 -4.72 117.98 115.65 2wg1 s PHE 314 Ca 0.47 0.08 -0.31 0.00 -0.05 0.00 0.00 56.93 57.11 2wg1 s PHE 314 Cb 0.07 0.56 -0.11 0.00 -0.63 0.00 0.00 43.02 42.91 2wg1 s PHE 314 CO -0.00 -0.56 1.60 0.21 -0.05 0.00 0.00 175.22 176.42 2wg1 s LYS 315 N -3.03 4.18 -0.31 1.99 2.20 0.31 -4.99 119.74 120.09 2wg1 s LYS 315 Ca 0.08 2.46 -0.09 0.00 -0.36 0.00 0.00 55.97 58.05 2wg1 s LYS 315 Cb -0.01 -3.10 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2wg1 s LYS 315 CO -0.05 -0.62 0.14 0.15 -0.36 0.00 0.00 175.35 174.60 2wg1 s LYS 316 N 0.66 3.30 0.00 4.03 1.02 -1.26 -4.96 119.74 122.53 2wg1 s LYS 316 Ca 0.69 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.94 2wg1 s LYS 316 Cb -0.46 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2wg1 s LYS 316 CO 0.36 -0.42 0.00 -2.37 -0.92 0.00 0.00 175.35 172.00 2wg1 n THR 317 N 4.96 0.00 -3.78 2.17 5.66 -1.26 -4.78 114.28 117.25 2wg1 n THR 317 Ca -0.14 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.53 2wg1 n THR 317 Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 2wg1 n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2wg1 s GLN 318 N 0.24 3.55 0.04 1.09 1.11 -1.26 -0.85 119.66 123.58 2wg1 s GLN 318 Ca 0.00 -0.15 0.03 0.00 0.01 0.00 0.00 55.36 55.25 2wg1 s GLN 318 Cb 0.00 -3.04 -0.02 0.00 -1.01 0.00 0.00 33.01 28.94 2wg1 s GLN 318 CO 0.00 0.62 -0.10 0.96 0.01 0.00 0.00 175.29 176.78 2wg1 s ILE 319 N -1.38 0.72 -0.06 1.08 -4.36 0.35 -3.07 121.20 114.48 2wg1 s ILE 319 Ca 0.30 -0.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.80 2wg1 s ILE 319 Cb -0.13 -0.71 0.01 0.00 1.25 0.00 0.00 42.46 42.88 2wg1 s ILE 319 CO 0.19 -0.18 -0.13 -0.22 0.24 0.00 0.00 174.94 174.85 2wg1 s LEU 320 N -1.21 1.73 0.19 0.37 0.20 -0.59 -1.12 118.68 118.25 2wg1 s LEU 320 Ca -0.04 -0.30 -0.23 0.00 0.69 0.00 0.00 54.13 54.25 2wg1 s LEU 320 Cb -0.08 -0.83 0.05 0.00 -0.43 0.00 0.00 46.19 44.90 2wg1 s LEU 320 CO 0.01 0.07 0.68 -1.48 -0.29 0.00 0.00 176.35 175.34 2wg1 s LEU 321 N 0.46 -0.42 0.00 -0.68 2.34 -0.14 -1.21 118.68 119.03 2wg1 s LEU 321 Ca -0.11 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 53.84 2wg1 s LEU 321 Cb -0.14 2.58 0.00 0.00 -0.56 0.00 0.00 46.19 48.07 2wg1 s LEU 321 CO 0.03 -1.08 0.00 0.61 -1.06 0.00 0.00 176.35 174.85 2wg1 n GLY 322 N -0.40 -0.92 3.21 -3.48 0.00 -0.96 -0.98 105.19 101.66 2wg1 n GLY 322 Ca -0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 2wg1 n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wg1 s VAL 323 N -3.00 0.04 0.19 1.61 -7.23 -1.12 -0.57 120.40 110.32 2wg1 s VAL 323 Ca 0.00 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2wg1 s VAL 323 Cb 0.00 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2wg1 s VAL 323 CO 0.00 -0.17 0.29 0.20 -0.31 0.00 0.00 175.10 175.11 2wg1 s ASN 324 N -3.11 6.17 0.20 4.85 0.01 -1.26 -0.21 114.94 121.59 2wg1 s ASN 324 Ca 0.32 0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 52.42 2wg1 s ASN 324 Cb 0.07 -1.80 0.13 0.00 0.41 0.00 0.00 41.25 40.06 2wg1 s ASN 324 CO 0.08 0.00 1.86 0.50 -1.51 0.00 0.00 177.10 178.03 2wg1 h LYS 325 N 1.77 0.92 -2.25 -0.60 3.64 -1.33 -3.32 116.57 115.39 2wg1 h LYS 325 Ca -0.50 -0.06 -0.61 0.00 -1.27 0.00 0.00 60.65 58.21 2wg1 h LYS 325 Cb 1.21 -0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.42 2wg1 h LYS 325 CO 0.65 0.62 -0.51 -0.25 -2.27 0.00 0.00 179.45 177.69 2wg1 n ASP 326 N -4.59 4.13 0.19 4.20 8.00 -0.47 -4.88 116.55 123.13 2wg1 n ASP 326 Ca 0.06 -3.51 0.03 0.00 0.71 0.00 0.00 54.79 52.09 2wg1 n ASP 326 Cb 0.03 -0.68 0.40 0.00 -0.02 0.00 0.00 41.12 40.85 2wg1 n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2wg1 h GLU 327 N 3.96 0.01 0.00 -1.24 4.39 -1.75 -3.18 114.58 116.78 2wg1 h GLU 327 Ca 0.19 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2wg1 h GLU 327 Cb 0.62 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2wg1 h GLU 327 CO 0.87 0.32 -0.13 0.78 -1.16 0.00 0.00 179.01 179.68 2wg1 h GLY 328 N 0.93 0.00 1.30 -3.84 0.00 -1.85 -3.40 103.07 96.21 2wg1 h GLY 328 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2wg1 h GLY 328 CO 0.04 0.00 -0.07 1.48 0.00 0.00 0.00 176.54 177.99 2wg1 h SER 329 N 0.00 0.82 -0.86 0.19 4.64 -1.82 -2.72 113.55 113.80 2wg1 h SER 329 Ca 0.00 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.11 2wg1 h SER 329 Cb 0.89 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.71 2wg1 h SER 329 CO 0.00 0.92 0.56 0.15 -0.87 0.00 0.00 176.83 177.60 2wg1 h PHE 330 N 0.76 1.06 0.02 4.77 3.57 -1.84 -1.95 116.94 123.34 2wg1 h PHE 330 Ca 0.13 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 2wg1 h PHE 330 Cb 0.56 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2wg1 h PHE 330 CO 0.03 0.64 -0.98 0.74 -2.23 0.00 0.00 178.31 176.51 2wg1 h PHE 331 N 1.13 0.13 -0.46 0.41 -1.00 -1.77 -3.04 116.94 112.33 2wg1 h PHE 331 Ca 0.33 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.93 2wg1 h PHE 331 Cb -0.06 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2wg1 h PHE 331 CO -0.02 1.00 -0.09 -0.07 -1.61 0.00 0.00 178.31 177.52 2wg1 h LEU 332 N 0.03 0.89 -0.81 1.54 3.38 -1.38 -2.15 115.31 116.81 2wg1 h LEU 332 Ca -0.04 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.67 2wg1 h LEU 332 Cb 1.69 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 2wg1 h LEU 332 CO 0.14 1.03 0.46 0.25 0.09 0.00 0.00 178.44 180.41 2wg1 h LEU 333 N 0.73 0.65 -0.04 1.67 5.85 -1.33 0.12 115.31 122.95 2wg1 h LEU 333 Ca 0.12 0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.68 2wg1 h LEU 333 Cb 0.63 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2wg1 h LEU 333 CO 0.04 0.37 -1.00 1.88 -0.34 0.00 0.00 178.44 179.40 2wg1 h TYR 334 N 0.77 0.05 0.00 1.25 -1.99 -1.43 -3.42 116.97 112.20 2wg1 h TYR 334 Ca 0.39 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 61.08 2wg1 h TYR 334 Cb 0.36 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 2wg1 h TYR 334 CO -0.07 1.00 -1.00 0.41 -0.00 0.00 0.00 178.16 178.50 2wg1 n GLY 335 N 1.29 -0.00 3.78 3.88 0.00 -0.82 -5.07 105.19 108.25 2wg1 n GLY 335 Ca -0.01 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2wg1 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg1 s ALA 336 N -2.00 3.46 0.37 4.61 0.00 0.39 -5.01 121.76 123.58 2wg1 s ALA 336 Ca -0.00 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 2wg1 s ALA 336 Cb 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 2wg1 s ALA 336 CO 0.00 0.30 1.38 -1.25 0.00 0.00 0.00 175.76 176.20 2wg1 s PRO 337 N -1.20 4.13 0.00 0.00 0.04 -1.26 -3.06 135.00 133.66 2wg1 s PRO 337 Ca 0.36 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2wg1 s PRO 337 Cb -0.22 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2wg1 s PRO 337 CO 0.25 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2wg1 n GLY 338 N 0.63 1.10 3.75 0.56 0.00 -1.26 -4.87 105.19 105.10 2wg1 n GLY 338 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2wg1 n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg1 s PHE 339 N -2.27 3.44 0.03 1.61 0.40 -1.17 -4.61 117.98 115.41 2wg1 s PHE 339 Ca 0.00 0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2wg1 s PHE 339 Cb 0.00 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2wg1 s PHE 339 CO 0.00 0.34 -0.01 -1.12 0.70 0.00 0.00 175.22 175.13 2wg1 s SER 340 N 0.19 0.32 0.22 1.36 0.01 -1.26 -4.87 113.70 109.67 2wg1 s SER 340 Ca 0.09 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 2wg1 s SER 340 Cb -0.11 0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.48 2wg1 s SER 340 CO -0.01 -0.43 1.58 0.50 0.41 0.00 0.00 173.24 175.28 2wg1 h LYS 341 N 3.99 0.54 -0.55 12.44 3.64 -1.99 -3.30 116.57 131.34 2wg1 h LYS 341 Ca -0.33 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2wg1 h LYS 341 Cb 1.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2wg1 h LYS 341 CO 0.51 0.88 0.00 -0.25 -2.27 0.00 0.00 179.45 178.32 2wg1 n ASP 342 N -4.01 3.51 -4.74 4.20 8.00 -1.26 -4.44 116.55 117.80 2wg1 n ASP 342 Ca -0.02 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 2wg1 n ASP 342 Cb 0.53 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2wg1 n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wg1 s SER 343 N -1.04 4.22 0.05 -2.24 1.04 -1.24 -5.02 113.70 109.48 2wg1 s SER 343 Ca 0.38 -1.38 0.21 0.00 0.48 0.00 0.00 55.95 55.64 2wg1 s SER 343 Cb 0.20 0.03 0.87 0.00 0.10 0.00 0.00 66.02 67.22 2wg1 s SER 343 CO 0.26 -0.72 1.66 -0.62 0.98 0.00 0.00 173.24 174.81 2wg1 n GLU 344 N -1.26 0.05 -3.78 4.02 1.02 -1.26 -4.78 120.64 114.64 2wg1 n GLU 344 Ca -0.09 0.20 -0.23 0.00 -0.02 0.00 0.00 57.16 57.02 2wg1 n GLU 344 Cb 0.66 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 30.52 2wg1 n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wg1 n SER 345 N -1.66 -1.17 -4.73 1.62 7.64 -1.26 -4.87 113.62 109.19 2wg1 n SER 345 Ca 0.05 -0.86 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 2wg1 n SER 345 Cb 0.25 -3.80 -0.03 0.00 -1.01 0.00 0.00 64.21 59.63 2wg1 n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wg1 s LYS 346 N -6.16 4.36 -0.18 1.43 1.02 -1.26 -4.71 119.74 114.24 2wg1 s LYS 346 Ca 0.05 2.08 -0.04 0.00 0.02 0.00 0.00 55.97 58.08 2wg1 s LYS 346 Cb -0.02 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2wg1 s LYS 346 CO 0.83 -0.32 -0.04 0.42 -0.92 0.00 0.00 175.35 175.33 2wg1 s ILE 347 N 0.39 3.75 0.79 2.17 -1.09 -0.65 -4.97 121.20 121.59 2wg1 s ILE 347 Ca 0.59 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 58.51 2wg1 s ILE 347 Cb -0.37 -2.66 0.06 0.00 -1.58 0.00 0.00 42.46 37.91 2wg1 s ILE 347 CO 0.36 0.47 1.09 -0.94 -1.23 0.00 0.00 174.94 174.69 2wg1 s SER 348 N 0.71 4.40 0.36 3.58 1.04 -1.26 -4.37 113.70 118.16 2wg1 s SER 348 Ca -0.02 1.76 0.10 0.00 0.48 0.00 0.00 55.95 58.27 2wg1 s SER 348 Cb -0.14 -2.46 0.84 0.00 0.10 0.00 0.00 66.02 64.36 2wg1 s SER 348 CO 0.02 -2.09 1.87 -0.09 0.98 0.00 0.00 173.24 173.93 2wg1 h ARG 349 N -1.17 0.64 -0.17 4.02 9.65 -1.92 0.15 114.38 125.57 2wg1 h ARG 349 Ca -0.44 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.25 2wg1 h ARG 349 Cb 1.24 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2wg1 h ARG 349 CO 0.52 0.42 -0.45 1.49 2.80 0.00 0.00 179.97 184.75 2wg1 h GLU 350 N 0.66 0.61 0.00 0.20 4.81 -1.98 -1.63 114.58 117.25 2wg1 h GLU 350 Ca 0.44 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2wg1 h GLU 350 Cb 0.74 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2wg1 h GLU 350 CO -0.20 1.05 -0.31 -0.44 -0.73 0.00 0.00 179.01 178.38 2wg1 h ASP 351 N 0.28 0.00 0.21 1.04 3.32 -1.76 -1.20 116.42 118.30 2wg1 h ASP 351 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2wg1 h ASP 351 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2wg1 h ASP 351 CO 0.10 0.31 -0.10 0.15 -1.72 0.00 0.00 179.24 177.98 2wg1 h PHE 352 N 0.00 -0.26 -0.48 4.55 3.57 -0.53 0.80 116.94 124.59 2wg1 h PHE 352 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2wg1 h PHE 352 Cb 0.55 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2wg1 h PHE 352 CO 0.00 -0.09 0.12 0.52 -2.23 0.00 0.00 178.31 176.63 2wg1 h MET 353 N -0.37 0.71 -0.53 1.11 2.86 -0.94 -1.00 114.93 116.78 2wg1 h MET 353 Ca -0.03 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 2wg1 h MET 353 Cb 0.28 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2wg1 h MET 353 CO 0.05 0.64 -0.05 0.77 1.06 0.00 0.00 176.91 179.38 2wg1 h SER 354 N 0.70 0.93 -0.64 1.22 0.02 -1.07 -2.92 113.55 111.78 2wg1 h SER 354 Ca 0.16 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2wg1 h SER 354 Cb 0.25 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2wg1 h SER 354 CO -0.00 1.01 0.42 1.23 -1.14 0.00 0.00 176.83 178.35 2wg1 h GLY 355 N 0.98 0.91 0.99 -3.77 0.00 0.04 -1.94 103.07 100.29 2wg1 h GLY 355 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wg1 h GLY 355 CO 0.03 0.31 0.31 -2.08 0.00 0.00 0.00 176.54 175.12 2wg1 h VAL 356 N 0.85 1.15 -0.43 4.60 2.07 -1.11 -0.58 116.25 122.81 2wg1 h VAL 356 Ca 0.24 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2wg1 h VAL 356 Cb -0.07 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2wg1 h VAL 356 CO -0.07 0.16 0.22 0.50 0.02 0.00 0.00 177.57 178.40 2wg1 h LYS 357 N 0.69 0.61 -0.72 1.57 3.64 -1.33 -0.94 116.57 120.10 2wg1 h LYS 357 Ca 0.18 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2wg1 h LYS 357 Cb -0.02 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2wg1 h LYS 357 CO -0.04 0.51 0.47 -0.07 -2.27 0.00 0.00 179.45 178.06 2wg1 h LEU 358 N 0.56 0.83 -0.23 5.20 3.38 -1.02 -3.19 115.31 120.84 2wg1 h LEU 358 Ca 0.15 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 2wg1 h LEU 358 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wg1 h LEU 358 CO -0.02 0.61 -0.91 0.28 0.09 0.00 0.00 178.44 178.49 2wg1 h SER 359 N 0.98 0.26 -2.17 -0.43 0.02 -0.61 -2.39 113.55 109.21 2wg1 h SER 359 Ca 0.26 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 60.40 2wg1 h SER 359 Cb -0.10 -0.08 -0.42 0.00 0.14 0.00 0.00 62.40 61.94 2wg1 h SER 359 CO -0.06 1.04 -0.66 0.52 -1.14 0.00 0.00 176.83 176.54 2wg1 n VAL 360 N -3.64 2.02 0.27 2.27 0.31 -0.40 -4.91 118.33 114.25 2wg1 n VAL 360 Ca -0.04 -5.09 0.13 0.00 -0.01 0.00 0.00 64.34 59.33 2wg1 n VAL 360 Cb 0.83 -2.06 0.78 0.00 -0.91 0.00 0.00 33.84 32.48 2wg1 n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2wg1 h PRO 361 N 4.12 0.00 -0.10 5.55 0.13 -1.69 -2.07 132.00 137.94 2wg1 h PRO 361 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2wg1 h PRO 361 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2wg1 h PRO 361 CO 0.79 0.08 0.00 -2.39 -0.23 0.00 0.00 178.00 176.26 2wg1 n HIS 362 N -3.72 0.13 -3.54 1.56 1.44 -1.26 -4.91 115.22 104.91 2wg1 n HIS 362 Ca -0.02 -0.06 -0.38 0.00 -2.01 0.00 0.00 57.72 55.25 2wg1 n HIS 362 Cb 0.19 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.24 2wg1 n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wg1 s ALA 363 N -1.87 3.69 1.14 1.59 0.00 -0.78 -5.10 121.76 120.43 2wg1 s ALA 363 Ca 0.24 -0.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 2wg1 s ALA 363 Cb 0.12 -2.35 0.26 0.00 0.00 0.00 0.00 23.12 21.15 2wg1 s ALA 363 CO 0.19 0.42 1.13 0.54 0.00 0.00 0.00 175.76 178.03 2wg1 s ASN 364 N -0.76 1.49 0.25 0.00 2.20 -1.26 -4.76 114.94 112.10 2wg1 s ASN 364 Ca 0.22 0.69 -0.05 0.00 -0.94 0.00 0.00 52.86 52.77 2wg1 s ASN 364 Cb -0.15 -0.99 0.28 0.00 -2.00 0.00 0.00 41.25 38.38 2wg1 s ASN 364 CO 0.11 -3.78 1.88 0.44 -2.94 0.00 0.00 177.10 172.81 2wg1 h ASP 365 N -2.35 1.07 -0.29 3.54 3.32 -1.99 -0.41 116.42 119.32 2wg1 h ASP 365 Ca -0.47 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.51 2wg1 h ASP 365 Cb 1.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2wg1 h ASP 365 CO 0.39 0.85 0.17 0.25 -1.72 0.00 0.00 179.24 179.18 2wg1 h LEU 366 N 1.21 0.28 -0.49 1.55 5.85 -1.99 0.96 115.31 122.68 2wg1 h LEU 366 Ca 0.31 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.11 2wg1 h LEU 366 Cb 0.00 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2wg1 h LEU 366 CO -0.05 0.20 0.13 1.23 -0.34 0.00 0.00 178.44 179.61 2wg1 h GLY 367 N 0.35 0.62 0.99 3.75 0.00 -1.77 0.12 103.07 107.13 2wg1 h GLY 367 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wg1 h GLY 367 CO -0.05 -0.04 0.31 1.41 0.00 0.00 0.00 176.54 178.17 2wg1 h LEU 368 N 0.28 0.64 -0.94 3.11 3.38 -0.64 -1.87 115.31 119.26 2wg1 h LEU 368 Ca 0.24 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2wg1 h LEU 368 Cb 0.30 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2wg1 h LEU 368 CO -0.29 0.52 0.60 0.44 0.09 0.00 0.00 178.44 179.80 2wg1 h ASP 369 N 0.70 0.98 -0.37 -0.43 3.32 -0.33 -1.48 116.42 118.81 2wg1 h ASP 369 Ca 0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wg1 h ASP 369 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2wg1 h ASP 369 CO -0.03 0.64 0.22 0.00 -1.72 0.00 0.00 179.24 178.34 2wg1 h ALA 370 N 1.41 0.47 -0.29 3.45 0.00 -0.13 -0.95 119.26 123.23 2wg1 h ALA 370 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2wg1 h ALA 370 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wg1 h ALA 370 CO -0.15 -0.03 0.15 0.28 0.00 0.00 0.00 179.25 179.50 2wg1 h VAL 371 N 0.48 1.13 -0.28 0.00 2.07 -1.16 -1.55 116.25 116.94 2wg1 h VAL 371 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2wg1 h VAL 371 Cb 0.02 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2wg1 h VAL 371 CO -0.02 0.13 0.12 0.74 0.02 0.00 0.00 177.57 178.56 2wg1 h THR 372 N 0.34 1.17 -0.88 2.57 2.02 -1.15 -1.73 112.91 115.25 2wg1 h THR 372 Ca 0.10 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.80 2wg1 h THR 372 Cb 0.08 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2wg1 h THR 372 CO -0.02 0.17 0.58 0.25 0.37 0.00 0.00 175.52 176.88 2wg1 h LEU 373 N 0.31 0.99 -1.52 2.58 5.85 -1.12 -1.53 115.31 120.86 2wg1 h LEU 373 Ca 0.09 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2wg1 h LEU 373 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2wg1 h LEU 373 CO -0.01 0.70 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.93 2wg1 h GLN 374 N 1.16 0.00 -0.20 1.25 5.75 -0.46 -3.17 115.11 119.43 2wg1 h GLN 374 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 2wg1 h GLN 374 Cb -0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2wg1 h GLN 374 CO -0.09 0.25 0.00 0.66 -2.65 0.00 0.00 178.83 177.00 2wg1 n TYR 375 N -4.13 0.27 -3.98 3.99 4.02 -0.73 -4.97 117.16 111.63 2wg1 n TYR 375 Ca -0.02 -0.36 -0.35 0.00 -0.01 0.00 0.00 57.90 57.16 2wg1 n TYR 375 Cb 0.31 -0.02 -0.11 0.00 -0.02 0.00 0.00 39.34 39.49 2wg1 n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2wg1 s THR 376 N -0.93 4.51 -0.66 -0.72 2.01 -0.60 -4.84 115.64 114.41 2wg1 s THR 376 Ca 0.16 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2wg1 s THR 376 Cb 0.09 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.57 2wg1 s THR 376 CO 0.12 0.42 1.33 -0.62 -0.69 0.00 0.00 174.62 175.18 2wg1 s ASP 377 N 0.81 6.15 0.00 3.53 -1.08 -1.26 -4.91 116.67 119.91 2wg1 s ASP 377 Ca 0.03 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.14 2wg1 s ASP 377 Cb -0.14 -2.55 0.96 0.00 -1.46 0.00 0.00 42.92 39.73 2wg1 s ASP 377 CO 0.02 -1.77 1.64 0.79 0.52 0.00 0.00 175.17 176.37 2wg1 n TRP 378 N 9.45 0.00 0.81 -5.34 7.02 -1.26 -1.56 117.44 126.56 2wg1 n TRP 378 Ca 0.07 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.69 2wg1 n TRP 378 Cb 0.49 -0.37 0.45 0.00 -2.42 0.00 0.00 31.31 29.46 2wg1 n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2wg1 n MET 379 N -1.37 0.13 -2.70 -0.99 2.81 -1.26 -4.46 117.12 109.29 2wg1 n MET 379 Ca 0.08 0.09 -0.06 0.00 -1.81 0.00 0.00 57.70 56.00 2wg1 n MET 379 Cb 0.19 -1.64 0.10 0.00 -0.71 0.00 0.00 33.22 31.16 2wg1 n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2wg1 n ASP 380 N -1.86 -0.87 0.05 7.83 2.03 -0.60 -5.00 116.55 118.13 2wg1 n ASP 380 Ca 0.06 -2.44 0.08 0.00 0.52 0.00 0.00 54.79 53.01 2wg1 n ASP 380 Cb 0.38 0.52 0.36 0.00 -0.72 0.00 0.00 41.12 41.67 2wg1 n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wg1 n ASP 381 N -0.64 0.25 -1.30 1.67 5.75 -0.70 -2.39 116.55 119.18 2wg1 n ASP 381 Ca -0.02 0.57 0.09 0.00 -0.01 0.00 0.00 54.79 55.41 2wg1 n ASP 381 Cb 0.85 -0.62 0.30 0.00 -1.03 0.00 0.00 41.12 40.62 2wg1 n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wg1 n ASN 382 N -1.78 4.20 -4.61 -1.12 3.02 -1.26 -4.73 115.26 108.97 2wg1 n ASN 382 Ca 0.03 -2.35 -0.43 0.00 -0.03 0.00 0.00 54.58 51.79 2wg1 n ASN 382 Cb 0.18 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 2wg1 n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wg1 s ASN 383 N -1.06 6.55 0.37 6.41 3.84 -1.01 -4.90 114.94 125.14 2wg1 s ASN 383 Ca 0.45 0.91 0.04 0.00 0.21 0.00 0.00 52.86 54.47 2wg1 s ASN 383 Cb 0.28 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 39.15 2wg1 s ASN 383 CO 0.23 -1.24 2.01 1.23 -2.79 0.00 0.00 177.10 176.54 2wg1 h GLY 384 N 11.42 0.74 0.62 1.21 0.00 -1.92 -1.06 103.07 114.08 2wg1 h GLY 384 Ca -0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2wg1 h GLY 384 CO 1.07 0.28 -0.08 -2.22 0.00 0.00 0.00 176.54 175.59 2wg1 h ILE 385 N 0.71 1.38 -0.92 2.60 1.08 -1.90 -1.59 117.51 118.87 2wg1 h ILE 385 Ca 0.19 -1.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2wg1 h ILE 385 Cb -0.04 2.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 2wg1 h ILE 385 CO -0.04 0.35 0.56 0.11 -0.69 0.00 0.00 178.15 178.44 2wg1 h LYS 386 N -0.26 1.24 -0.46 2.37 1.57 -1.84 0.55 116.57 119.74 2wg1 h LYS 386 Ca 0.01 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2wg1 h LYS 386 Cb 0.61 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2wg1 h LYS 386 CO 0.02 0.86 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.73 2wg1 h ASN 387 N 1.26 0.91 -0.01 0.86 2.35 -1.25 0.72 115.58 120.43 2wg1 h ASN 387 Ca 0.33 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2wg1 h ASN 387 Cb -0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 2wg1 h ASN 387 CO -0.06 1.07 0.00 -0.09 -1.65 0.00 0.00 177.43 176.70 2wg1 h ARG 388 N 0.74 0.02 -0.54 0.81 1.12 -1.03 -1.73 114.38 113.77 2wg1 h ARG 388 Ca 0.11 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.91 2wg1 h ARG 388 Cb 0.68 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.61 2wg1 h ARG 388 CO 0.05 0.26 0.07 -0.44 -3.11 0.00 0.00 179.97 176.80 2wg1 h ASP 389 N -0.22 0.83 -0.32 -3.80 3.32 -0.90 -1.65 116.42 113.68 2wg1 h ASP 389 Ca 0.00 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.91 2wg1 h ASP 389 Cb 0.25 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2wg1 h ASP 389 CO 0.00 0.85 0.09 1.23 -1.72 0.00 0.00 179.24 179.69 2wg1 h GLY 390 N 0.99 0.39 0.99 2.75 0.00 -0.79 -0.68 103.07 106.73 2wg1 h GLY 390 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2wg1 h GLY 390 CO 0.01 0.00 0.35 1.41 0.00 0.00 0.00 176.54 178.31 2wg1 h LEU 391 N 0.21 0.73 -0.14 3.11 3.38 -1.06 0.41 115.31 121.95 2wg1 h LEU 391 Ca 0.15 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2wg1 h LEU 391 Cb 0.14 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2wg1 h LEU 391 CO -0.17 0.59 -0.21 -0.78 0.09 0.00 0.00 178.44 177.95 2wg1 h ASP 392 N 0.81 -0.66 -0.84 -0.43 1.82 -0.99 -0.79 116.42 115.34 2wg1 h ASP 392 Ca 0.21 0.11 0.04 0.00 -0.39 0.00 0.00 57.03 57.01 2wg1 h ASP 392 Cb 0.00 0.30 -0.05 0.00 0.68 0.00 0.00 39.33 40.26 2wg1 h ASP 392 CO -0.04 -0.26 0.53 0.44 -1.61 0.00 0.00 179.24 178.30 2wg1 h ASP 393 N -0.27 0.87 -0.20 2.28 3.32 -0.94 -1.32 116.42 120.17 2wg1 h ASP 393 Ca 0.10 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2wg1 h ASP 393 Cb 0.42 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2wg1 h ASP 393 CO -0.29 0.58 -0.07 0.40 -1.72 0.00 0.00 179.24 178.14 2wg1 h ILE 394 N 1.01 0.75 -0.25 0.35 2.04 -0.32 0.16 117.51 121.25 2wg1 h ILE 394 Ca 0.35 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.14 2wg1 h ILE 394 Cb 0.06 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2wg1 h ILE 394 CO -0.13 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.50 2wg1 h VAL 395 N -0.04 1.29 -0.22 1.67 2.07 -0.96 -0.43 116.25 119.64 2wg1 h VAL 395 Ca 0.10 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2wg1 h VAL 395 Cb 0.19 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2wg1 h VAL 395 CO -0.23 0.36 0.02 1.23 0.02 0.00 0.00 177.57 178.97 2wg1 h GLY 396 N 0.25 0.41 0.96 2.17 0.00 -1.14 -2.18 103.07 103.54 2wg1 h GLY 396 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2wg1 h GLY 396 CO 0.03 0.26 -0.08 -0.55 0.00 0.00 0.00 176.54 176.20 2wg1 h ASP 397 N 0.16 -0.20 -0.20 0.19 3.32 -0.65 0.96 116.42 120.00 2wg1 h ASP 397 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wg1 h ASP 397 Cb 0.35 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2wg1 h ASP 397 CO 0.01 -0.10 0.11 -0.74 -1.72 0.00 0.00 179.24 176.79 2wg1 h HIS 398 N -0.28 0.28 0.00 4.55 2.76 -1.12 -0.56 115.15 120.78 2wg1 h HIS 398 Ca -0.02 -0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 57.90 2wg1 h HIS 398 Cb 0.21 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2wg1 h HIS 398 CO -0.05 0.25 -1.66 0.09 -1.30 0.00 0.00 177.93 175.26 2wg1 n ASN 399 N -4.89 0.75 0.07 3.26 3.02 -0.82 -4.43 115.26 112.21 2wg1 n ASN 399 Ca -0.03 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2wg1 n ASN 399 Cb 0.07 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2wg1 n ASN 399 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wg1 n VAL 400 N -2.92 0.76 0.05 2.41 0.31 -0.28 -4.60 118.33 114.06 2wg1 n VAL 400 Ca -0.15 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 2wg1 n VAL 400 Cb 0.95 -1.20 -0.09 0.00 -0.91 0.00 0.00 33.84 32.59 2wg1 n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wg1 h ILE 401 N 0.00 1.10 -0.13 2.52 2.04 -0.96 -1.97 117.51 120.11 2wg1 h ILE 401 Ca 0.00 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 64.98 2wg1 h ILE 401 Cb 0.00 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2wg1 h ILE 401 CO 0.00 0.17 -0.61 0.00 0.00 0.00 0.00 178.15 177.72 2wg1 h PRO 403 N 0.33 1.25 -0.54 0.00 0.11 -1.73 -0.69 132.00 130.73 2wg1 h PRO 403 Ca -0.01 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 2wg1 h PRO 403 Cb 1.15 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2wg1 h PRO 403 CO 0.11 0.92 0.19 1.25 -0.21 0.00 0.00 178.00 180.26 2wg1 h LEU 404 N 1.25 0.77 -1.01 2.35 6.46 -0.98 -0.49 115.31 123.65 2wg1 h LEU 404 Ca 0.31 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2wg1 h LEU 404 Cb 0.04 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.73 2wg1 h LEU 404 CO -0.05 0.75 0.42 0.24 -0.62 0.00 0.00 178.44 179.18 2wg1 h MET 405 N 0.74 1.12 -0.59 1.25 2.86 -0.80 0.12 114.93 119.63 2wg1 h MET 405 Ca 0.18 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2wg1 h MET 405 Cb 0.24 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2wg1 h MET 405 CO -0.01 0.83 0.28 1.25 1.06 0.00 0.00 176.91 180.32 2wg1 h HIS 406 N 1.12 0.85 -0.28 -0.22 -0.00 -0.78 -1.95 115.15 113.89 2wg1 h HIS 406 Ca 0.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 2wg1 h HIS 406 Cb 0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 2wg1 h HIS 406 CO 0.01 0.66 0.12 0.35 -0.00 0.00 0.00 177.93 179.07 2wg1 h PHE 407 N 0.80 0.42 -0.74 5.26 3.57 -0.29 -1.31 116.94 124.66 2wg1 h PHE 407 Ca 0.20 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2wg1 h PHE 407 Cb 0.13 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2wg1 h PHE 407 CO 0.00 0.40 0.31 0.28 -2.23 0.00 0.00 178.31 177.08 2wg1 h VAL 408 N 0.32 1.25 -0.28 1.41 2.07 -0.69 0.16 116.25 120.49 2wg1 h VAL 408 Ca 0.10 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2wg1 h VAL 408 Cb 0.15 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2wg1 h VAL 408 CO -0.01 0.31 -0.02 0.78 0.02 0.00 0.00 177.57 178.65 2wg1 h ASN 409 N 1.06 0.50 -0.50 0.57 2.35 -1.24 -0.89 115.58 117.43 2wg1 h ASN 409 Ca 0.25 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2wg1 h ASN 409 Cb 0.19 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2wg1 h ASN 409 CO -0.02 0.70 0.15 0.11 -1.65 0.00 0.00 177.43 176.71 2wg1 h LYS 410 N 0.28 0.78 -0.39 0.81 1.79 -1.01 -3.23 116.57 115.60 2wg1 h LYS 410 Ca 0.08 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2wg1 h LYS 410 Cb 0.46 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2wg1 h LYS 410 CO 0.02 0.74 -0.03 -0.92 -1.08 0.00 0.00 179.45 178.18 2wg1 h TYR 411 N 0.68 0.77 -0.11 -1.35 3.20 -0.60 -3.15 116.97 116.41 2wg1 h TYR 411 Ca 0.16 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2wg1 h TYR 411 Cb 0.29 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2wg1 h TYR 411 CO 0.02 0.80 0.08 1.15 -1.64 0.00 0.00 178.16 178.56 2wg1 h THR 412 N 0.52 0.96 -0.54 1.81 2.02 -1.18 0.33 112.91 116.84 2wg1 h THR 412 Ca 0.11 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.36 2wg1 h THR 412 Cb 0.51 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 2wg1 h THR 412 CO 0.03 0.00 0.16 0.11 0.37 0.00 0.00 175.52 176.19 2wg1 h LYS 413 N 0.03 0.31 0.00 6.66 1.57 -1.59 -3.31 116.57 120.23 2wg1 h LYS 413 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2wg1 h LYS 413 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wg1 h LYS 413 CO -0.00 0.20 -1.83 1.19 -0.57 0.00 0.00 179.45 178.44 2wg1 n PHE 414 N -5.05 0.00 -1.46 -1.35 3.01 -0.62 -5.03 117.46 106.95 2wg1 n PHE 414 Ca 0.07 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.26 2wg1 n PHE 414 Cb 0.25 -0.43 0.20 0.00 -0.01 0.00 0.00 39.48 39.49 2wg1 n PHE 414 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wg1 n GLY 415 N 1.50 -2.01 0.57 1.37 0.00 0.01 -4.86 105.19 101.77 2wg1 n GLY 415 Ca -0.04 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.42 2wg1 n GLY 415 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wg1 n ASN 416 N -4.15 2.67 0.00 1.61 4.05 -0.03 -4.89 115.26 114.53 2wg1 n ASN 416 Ca 0.14 -1.88 0.00 0.00 0.45 0.00 0.00 54.58 53.29 2wg1 n ASN 416 Cb 0.52 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.35 2wg1 n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wg1 n GLY 417 N 0.50 3.22 3.24 8.20 0.00 -1.24 -4.74 105.19 114.36 2wg1 n GLY 417 Ca 0.10 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wg1 n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wg1 s THR 418 N 0.00 2.02 -0.16 2.61 2.01 -1.26 -0.50 115.64 120.37 2wg1 s THR 418 Ca 0.00 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.98 2wg1 s THR 418 Cb 0.00 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2wg1 s THR 418 CO 0.00 0.56 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 2wg1 s TYR 419 N 0.09 2.30 -0.12 4.92 1.51 -0.27 0.05 117.35 125.83 2wg1 s TYR 419 Ca -0.11 -1.32 -0.02 0.00 -1.01 0.00 0.00 57.07 54.61 2wg1 s TYR 419 Cb -0.16 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2wg1 s TYR 419 CO 0.06 -0.70 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.57 2wg1 s LEU 420 N 1.44 3.18 0.31 -1.29 2.96 -1.26 -0.97 118.68 123.06 2wg1 s LEU 420 Ca 0.05 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2wg1 s LEU 420 Cb -0.13 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 2wg1 s LEU 420 CO -0.11 0.24 -0.08 -0.72 -1.32 0.00 0.00 176.35 174.36 2wg1 s TYR 421 N -0.06 2.17 -0.22 5.38 -0.85 -0.15 -2.50 117.35 121.11 2wg1 s TYR 421 Ca 0.01 -0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 55.92 2wg1 s TYR 421 Cb -0.13 -1.24 0.08 0.00 0.38 0.00 0.00 41.96 41.04 2wg1 s TYR 421 CO 0.03 0.42 0.09 0.12 -1.52 0.00 0.00 175.55 174.69 2wg1 s PHE 422 N -2.82 0.51 -0.26 -3.49 5.36 -0.29 -2.79 117.98 114.19 2wg1 s PHE 422 Ca 0.31 -0.70 -0.19 0.00 -0.96 0.00 0.00 56.93 55.39 2wg1 s PHE 422 Cb 0.03 -0.90 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 2wg1 s PHE 422 CO 0.14 -0.66 0.57 0.12 -1.46 0.00 0.00 175.22 173.94 2wg1 s PHE 423 N 2.03 3.27 -0.16 10.12 5.36 0.70 -0.37 117.98 138.93 2wg1 s PHE 423 Ca 0.04 0.70 0.24 0.00 -0.96 0.00 0.00 56.93 56.96 2wg1 s PHE 423 Cb -0.16 -2.79 0.48 0.00 -0.34 0.00 0.00 43.02 40.20 2wg1 s PHE 423 CO -0.19 -0.32 1.13 0.27 -1.46 0.00 0.00 175.22 174.66 2wg1 n ASN 424 N 5.64 1.35 -4.51 6.13 6.94 -0.71 -1.29 115.26 128.80 2wg1 n ASN 424 Ca -0.02 -2.02 -0.36 0.00 -0.02 0.00 0.00 54.58 52.16 2wg1 n ASN 424 Cb 0.49 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.39 2wg1 n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2wg1 s HIS 425 N -2.29 3.14 -0.22 -2.53 2.46 -1.24 -4.92 115.29 109.70 2wg1 s HIS 425 Ca 0.30 -0.23 -0.23 0.00 0.47 0.00 0.00 55.06 55.37 2wg1 s HIS 425 Cb 0.35 -2.22 -0.01 0.00 -0.13 0.00 0.00 32.58 30.57 2wg1 s HIS 425 CO -0.09 -0.21 0.76 0.50 -2.47 0.00 0.00 174.74 173.23 2wg1 s ARG 426 N 1.33 4.21 0.21 2.88 3.52 -1.26 -4.90 118.95 124.93 2wg1 s ARG 426 Ca 0.05 0.84 -0.32 0.00 -0.13 0.00 0.00 55.73 56.17 2wg1 s ARG 426 Cb -0.15 -3.61 -0.14 0.00 -1.56 0.00 0.00 34.95 29.49 2wg1 s ARG 426 CO 0.04 -0.40 1.40 0.00 -0.81 0.00 0.00 175.30 175.53 2wg1 n ALA 427 N 5.56 0.77 0.29 6.12 0.00 -1.26 -4.87 120.51 127.12 2wg1 n ALA 427 Ca 0.03 0.43 0.18 0.00 0.00 0.00 0.00 53.44 54.08 2wg1 n ALA 427 Cb 0.48 -2.24 0.87 0.00 0.00 0.00 0.00 19.45 18.57 2wg1 n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wg1 h SER 428 N 4.41 0.00 -0.47 0.00 4.64 -1.95 -2.83 113.55 117.34 2wg1 h SER 428 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2wg1 h SER 428 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wg1 h SER 428 CO 0.77 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.31 2wg1 n ASN 429 N -3.27 4.31 -4.75 4.97 0.23 -1.26 -5.01 115.26 110.48 2wg1 n ASN 429 Ca -0.01 -2.59 -0.41 0.00 -0.53 0.00 0.00 54.58 51.03 2wg1 n ASN 429 Cb 0.21 -0.52 -0.01 0.00 -2.08 0.00 0.00 39.78 37.38 2wg1 n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2wg1 s LEU 430 N -2.09 4.35 0.00 -4.53 1.43 -1.07 -4.91 118.68 111.86 2wg1 s LEU 430 Ca 0.44 2.92 0.23 0.00 -1.03 0.00 0.00 54.13 56.70 2wg1 s LEU 430 Cb 0.31 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 43.02 2wg1 s LEU 430 CO 0.17 -0.87 1.19 1.33 0.23 0.00 0.00 176.35 178.40 2wg1 n VAL 431 N 1.92 0.00 -2.32 -1.59 0.24 -1.26 -4.91 118.33 110.42 2wg1 n VAL 431 Ca 0.07 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.34 61.71 2wg1 n VAL 431 Cb 0.38 1.27 -0.02 0.00 -1.47 0.00 0.00 33.84 34.00 2wg1 n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2wg1 s TRP 432 N -2.30 3.33 0.87 6.34 0.52 -1.26 -4.97 118.94 121.46 2wg1 s TRP 432 Ca 0.23 1.48 -0.11 0.00 0.02 0.00 0.00 56.10 57.72 2wg1 s TRP 432 Cb 0.19 -2.85 0.12 0.00 -1.15 0.00 0.00 33.47 29.77 2wg1 s TRP 432 CO 0.47 -0.56 1.15 -1.25 0.02 0.00 0.00 176.95 176.78 2wg1 s PRO 433 N -4.04 1.37 0.36 4.98 0.04 -1.26 -4.92 135.00 131.52 2wg1 s PRO 433 Ca 0.60 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.24 2wg1 s PRO 433 Cb -0.12 -1.77 0.68 0.00 0.04 0.00 0.00 34.50 33.33 2wg1 s PRO 433 CO 0.32 -2.37 1.89 0.93 0.04 0.00 0.00 177.00 177.81 2wg1 h GLU 434 N -1.53 0.41 -0.08 4.56 5.08 -1.95 -2.85 114.58 118.23 2wg1 h GLU 434 Ca -0.44 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2wg1 h GLU 434 Cb 1.27 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wg1 h GLU 434 CO 0.44 0.48 0.13 0.11 -1.00 0.00 0.00 179.01 179.17 2wg1 h TRP 435 N 0.40 0.00 0.00 4.33 5.08 -1.91 -0.82 115.95 123.03 2wg1 h TRP 435 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 2wg1 h TRP 435 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 2wg1 h TRP 435 CO 0.01 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.84 2wg1 n MET 436 N -3.59 0.24 0.00 0.12 2.81 -1.07 -4.98 117.12 110.65 2wg1 n MET 436 Ca -0.01 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2wg1 n MET 436 Cb 0.22 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 2wg1 n MET 436 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wg1 n GLY 437 N 0.97 2.11 3.44 3.03 0.00 -0.32 -4.15 105.19 110.28 2wg1 n GLY 437 Ca 0.05 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 2wg1 n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg1 s VAL 438 N 0.00 4.65 0.34 1.61 1.01 -1.26 -4.86 120.40 121.89 2wg1 s VAL 438 Ca 0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 2wg1 s VAL 438 Cb 0.00 -4.72 -0.10 0.00 0.00 0.00 0.00 36.38 31.57 2wg1 s VAL 438 CO 0.00 -1.44 0.99 -0.63 0.00 0.00 0.00 175.10 174.02 2wg1 s ILE 439 N 3.00 3.99 -0.06 2.22 1.01 -1.26 -1.37 121.20 128.72 2wg1 s ILE 439 Ca 0.27 1.64 -0.35 0.00 0.00 0.00 0.00 60.65 62.22 2wg1 s ILE 439 Cb -0.10 -3.91 -0.17 0.00 0.01 0.00 0.00 42.46 38.29 2wg1 s ILE 439 CO -0.03 0.12 0.98 1.57 0.00 0.00 0.00 174.94 177.58 2wg1 n HIS 440 N 0.43 0.69 -0.12 3.97 -0.00 -1.20 -1.91 115.22 117.08 2wg1 n HIS 440 Ca 0.03 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 2wg1 n HIS 440 Cb 0.49 -1.79 0.00 0.00 -0.00 0.00 0.00 29.99 28.69 2wg1 n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wg1 n GLY 441 N 1.59 1.18 1.50 1.57 0.00 -1.26 -4.90 105.19 104.87 2wg1 n GLY 441 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2wg1 n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wg1 n TYR 442 N -2.00 1.30 0.08 1.61 4.02 -0.80 -2.87 117.16 118.49 2wg1 n TYR 442 Ca 0.00 -0.57 0.06 0.00 -0.01 0.00 0.00 57.90 57.38 2wg1 n TYR 442 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 2wg1 n TYR 442 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2wg1 h GLU 443 N 4.19 0.00 -0.43 -0.72 9.09 -1.91 -3.40 114.58 121.39 2wg1 h GLU 443 Ca 0.00 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.48 2wg1 h GLU 443 Cb 1.28 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.32 2wg1 h GLU 443 CO 0.14 0.15 0.10 0.82 0.05 0.00 0.00 179.01 180.26 2wg1 h ILE 444 N 0.00 0.78 -0.15 -1.06 2.04 -1.93 -0.44 117.51 116.75 2wg1 h ILE 444 Ca -0.07 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.75 2wg1 h ILE 444 Cb 1.27 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2wg1 h ILE 444 CO 0.02 0.04 0.12 1.05 0.00 0.00 0.00 178.15 179.39 2wg1 h GLU 445 N 0.23 0.00 0.01 2.37 4.11 -1.78 -0.11 114.58 119.41 2wg1 h GLU 445 Ca 0.21 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.42 2wg1 h GLU 445 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2wg1 h GLU 445 CO -0.27 0.00 -0.95 0.74 0.07 0.00 0.00 179.01 178.60 2wg1 h PHE 446 N 0.00 0.59 -0.43 2.06 -1.00 -1.36 -1.85 116.94 114.95 2wg1 h PHE 446 Ca 0.07 -0.32 -0.11 0.00 2.81 0.00 0.00 57.97 60.42 2wg1 h PHE 446 Cb 0.31 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 2wg1 h PHE 446 CO 0.00 1.15 -0.18 0.28 -1.61 0.00 0.00 178.31 177.94 2wg1 h VAL 447 N 0.22 1.27 -0.12 -0.55 2.07 -0.27 -2.84 116.25 116.03 2wg1 h VAL 447 Ca -0.08 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2wg1 h VAL 447 Cb 1.59 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2wg1 h VAL 447 CO 0.16 0.44 0.00 0.49 0.02 0.00 0.00 177.57 178.68 2wg1 n PHE 448 N -4.13 0.15 -1.63 1.57 3.01 -0.47 -4.57 117.46 111.38 2wg1 n PHE 448 Ca 0.01 -0.07 -0.09 0.00 1.01 0.00 0.00 57.45 58.30 2wg1 n PHE 448 Cb 0.41 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2wg1 n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wg1 n GLY 449 N 1.09 0.63 0.30 1.37 0.00 -0.96 -4.27 105.19 103.35 2wg1 n GLY 449 Ca 0.16 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.67 2wg1 n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wg1 h LEU 450 N 0.00 0.27 0.00 0.99 3.38 -1.63 -2.36 115.31 115.96 2wg1 h LEU 450 Ca -0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2wg1 h LEU 450 Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2wg1 h LEU 450 CO 0.26 0.19 0.00 -2.65 0.09 0.00 0.00 178.44 176.33 2wg1 n PRO 451 N -4.49 0.09 0.04 1.13 -0.02 -1.26 -1.46 135.00 129.03 2wg1 n PRO 451 Ca 0.02 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2wg1 n PRO 451 Cb 0.13 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.40 2wg1 n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wg1 n LEU 452 N -1.23 0.55 -4.47 2.45 4.32 -0.89 -4.34 117.00 113.39 2wg1 n LEU 452 Ca 0.03 0.24 -0.43 0.00 -0.02 0.00 0.00 56.01 55.82 2wg1 n LEU 452 Cb 0.04 -0.27 -0.05 0.00 -1.62 0.00 0.00 43.42 41.53 2wg1 n LEU 452 CO 0.04 -0.01 0.63 -0.69 -1.22 0.00 0.00 177.39 176.14 2wg1 s VAL 453 N -3.08 4.52 0.25 4.08 1.01 -0.53 -4.95 120.40 121.69 2wg1 s VAL 453 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2wg1 s VAL 453 Cb 0.15 -4.52 0.34 0.00 0.00 0.00 0.00 36.38 32.35 2wg1 s VAL 453 CO 0.67 -1.15 1.60 0.11 0.00 0.00 0.00 175.10 176.33 2wg1 h LYS 454 N 9.31 0.02 0.00 2.72 6.56 -1.86 -0.69 116.57 132.62 2wg1 h LYS 454 Ca -0.28 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2wg1 h LYS 454 Cb 1.08 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2wg1 h LYS 454 CO 1.09 0.01 0.00 0.93 -2.06 0.00 0.00 179.45 179.42 2wg1 h GLU 455 N 0.02 0.00 -0.00 3.15 3.07 -1.96 -1.57 114.58 117.29 2wg1 h GLU 455 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2wg1 h GLU 455 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2wg1 h GLU 455 CO -0.81 0.00 -0.09 1.28 -1.40 0.00 0.00 179.01 177.99 2wg1 n LEU 456 N -2.57 0.23 -2.02 1.33 4.77 -0.26 -4.96 117.00 113.51 2wg1 n LEU 456 Ca -0.01 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2wg1 n LEU 456 Cb 0.12 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2wg1 n LEU 456 CO 0.17 0.05 0.12 0.59 -1.33 0.00 0.00 177.39 176.98 2wg1 n ASN 457 N -1.24 -4.13 -4.93 -1.43 3.02 -0.59 -4.99 115.26 100.97 2wg1 n ASN 457 Ca 0.12 -0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 54.16 2wg1 n ASN 457 Cb 0.29 -2.73 0.06 0.00 -0.61 0.00 0.00 39.78 36.79 2wg1 n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wg1 s TYR 458 N -3.16 2.82 0.63 3.10 1.51 -1.26 -4.70 117.35 116.28 2wg1 s TYR 458 Ca 0.29 0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 56.50 2wg1 s TYR 458 Cb -0.13 -3.02 0.02 0.00 -0.11 0.00 0.00 41.96 38.73 2wg1 s TYR 458 CO 0.36 -1.22 0.95 0.95 -1.11 0.00 0.00 175.55 175.48 2wg1 s THR 459 N -3.05 3.37 0.30 -0.71 -4.23 -1.26 -4.94 115.64 105.13 2wg1 s THR 459 Ca 0.59 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 2wg1 s THR 459 Cb -0.10 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.65 2wg1 s THR 459 CO 0.42 -0.40 1.89 0.00 -0.54 0.00 0.00 174.62 175.98 2wg1 h ALA 460 N -0.32 1.55 -0.10 3.99 0.00 -1.98 -1.73 119.26 120.66 2wg1 h ALA 460 Ca -0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2wg1 h ALA 460 Cb 1.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wg1 h ALA 460 CO 0.61 0.28 -0.31 0.93 0.00 0.00 0.00 179.25 180.76 2wg1 h GLU 461 N 0.99 0.18 0.00 0.00 3.07 -1.99 -1.85 114.58 114.99 2wg1 h GLU 461 Ca 0.43 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 59.03 2wg1 h GLU 461 Cb 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2wg1 h GLU 461 CO -0.18 0.48 -0.87 0.93 -1.40 0.00 0.00 179.01 177.97 2wg1 h GLU 462 N 0.16 0.14 -0.51 2.33 5.08 -1.81 -1.41 114.58 118.56 2wg1 h GLU 462 Ca 0.02 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2wg1 h GLU 462 Cb 0.63 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2wg1 h GLU 462 CO 0.05 0.92 0.07 1.49 -1.00 0.00 0.00 179.01 180.54 2wg1 h GLU 463 N 0.08 0.85 -0.73 2.33 4.81 -1.06 -1.34 114.58 119.52 2wg1 h GLU 463 Ca -0.04 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2wg1 h GLU 463 Cb 1.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 2wg1 h GLU 463 CO 0.13 0.85 0.31 0.00 -0.73 0.00 0.00 179.01 179.57 2wg1 h ALA 464 N 0.97 1.17 -0.17 2.92 0.00 -1.20 -0.70 119.26 122.25 2wg1 h ALA 464 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wg1 h ALA 464 Cb 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wg1 h ALA 464 CO 0.01 0.61 -0.06 1.25 0.00 0.00 0.00 179.25 181.06 2wg1 h LEU 465 N 1.05 0.35 -0.51 0.00 5.85 -1.16 -1.60 115.31 119.28 2wg1 h LEU 465 Ca 0.25 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.67 2wg1 h LEU 465 Cb 0.17 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 2wg1 h LEU 465 CO -0.03 0.66 0.12 -1.28 -0.34 0.00 0.00 178.44 177.57 2wg1 h SER 466 N 0.04 0.04 -0.66 1.25 0.87 -1.04 0.56 113.55 114.60 2wg1 h SER 466 Ca 0.04 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2wg1 h SER 466 Cb 0.51 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2wg1 h SER 466 CO 0.02 0.05 0.36 0.03 -0.53 0.00 0.00 176.83 176.76 2wg1 h ARG 467 N 0.26 0.93 -0.17 2.24 3.08 -0.97 0.10 114.38 119.86 2wg1 h ARG 467 Ca 0.26 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2wg1 h ARG 467 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2wg1 h ARG 467 CO -0.32 0.70 0.11 0.00 -1.07 0.00 0.00 179.97 179.39 2wg1 h ARG 468 N 0.91 0.22 -0.05 0.04 3.08 -0.89 -1.80 114.38 115.90 2wg1 h ARG 468 Ca 0.23 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2wg1 h ARG 468 Cb 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wg1 h ARG 468 CO -0.04 0.15 0.01 0.82 -1.07 0.00 0.00 179.97 179.84 2wg1 h ILE 469 N 0.22 1.16 -1.00 2.04 2.04 -0.40 0.38 117.51 121.95 2wg1 h ILE 469 Ca 0.06 -0.48 0.11 0.00 1.00 0.00 0.00 64.86 65.55 2wg1 h ILE 469 Cb -0.02 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 2wg1 h ILE 469 CO -0.01 0.13 0.63 0.24 0.00 0.00 0.00 178.15 179.14 2wg1 h MET 470 N -0.12 0.98 0.03 2.37 2.86 -0.81 0.10 114.93 120.34 2wg1 h MET 470 Ca 0.01 -0.06 -0.24 0.00 -2.06 0.00 0.00 59.70 57.36 2wg1 h MET 470 Cb 0.20 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2wg1 h MET 470 CO -0.00 0.65 -1.00 1.25 1.06 0.00 0.00 176.91 178.86 2wg1 h HIS 471 N 1.00 0.61 0.01 -0.22 -0.00 -1.11 -0.68 115.15 114.76 2wg1 h HIS 471 Ca 0.49 -0.35 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 2wg1 h HIS 471 Cb 0.46 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 2wg1 h HIS 471 CO -0.01 1.19 -0.20 1.88 -0.00 0.00 0.00 177.93 180.79 2wg1 h TYR 472 N 0.21 -0.52 -0.31 5.26 0.05 -0.45 -0.70 116.97 120.51 2wg1 h TYR 472 Ca -0.09 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.71 2wg1 h TYR 472 Cb 1.65 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 39.60 2wg1 h TYR 472 CO 0.06 -0.28 0.20 -1.49 -1.05 0.00 0.00 178.16 175.60 2wg1 h TRP 473 N -0.32 0.37 -0.11 4.88 -0.00 -0.88 -0.04 115.95 119.84 2wg1 h TRP 473 Ca 0.06 0.01 -0.23 0.00 -0.00 0.00 0.00 58.89 58.73 2wg1 h TRP 473 Cb 0.39 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 29.44 2wg1 h TRP 473 CO -0.24 0.23 -0.83 0.00 -0.00 0.00 0.00 178.44 177.60 2wg1 h ALA 474 N 1.12 0.25 -0.62 1.49 0.00 -1.11 0.15 119.26 120.55 2wg1 h ALA 474 Ca 0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2wg1 h ALA 474 Cb -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wg1 h ALA 474 CO -0.04 0.66 0.17 1.15 0.00 0.00 0.00 179.25 181.20 2wg1 h THR 475 N 0.48 1.24 -0.61 0.00 2.02 -1.10 0.68 112.91 115.62 2wg1 h THR 475 Ca -0.07 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 2wg1 h THR 475 Cb 1.47 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2wg1 h THR 475 CO 0.17 0.32 0.16 0.15 0.37 0.00 0.00 175.52 176.69 2wg1 h PHE 476 N 0.92 1.03 -0.64 3.16 3.57 -0.77 -0.93 116.94 123.27 2wg1 h PHE 476 Ca 0.20 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2wg1 h PHE 476 Cb 0.29 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2wg1 h PHE 476 CO 0.02 0.86 0.30 0.00 -2.23 0.00 0.00 178.31 177.26 2wg1 h ALA 477 N 1.05 0.83 -0.40 2.41 0.00 -0.20 0.37 119.26 123.31 2wg1 h ALA 477 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2wg1 h ALA 477 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wg1 h ALA 477 CO 0.00 0.40 -0.28 0.87 0.00 0.00 0.00 179.25 180.24 2wg1 h LYS 478 N 0.88 0.90 0.00 0.00 1.57 -0.70 -3.40 116.57 115.82 2wg1 h LYS 478 Ca 0.22 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2wg1 h LYS 478 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wg1 h LYS 478 CO -0.03 1.08 -0.40 0.25 -0.57 0.00 0.00 179.45 179.79 2wg1 n THR 479 N -4.14 0.00 -0.50 -0.16 -2.24 -0.37 -5.01 114.28 101.85 2wg1 n THR 479 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wg1 n THR 479 Cb 0.49 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2wg1 n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg1 n GLY 480 N 1.31 0.74 2.97 3.38 0.00 0.13 -5.04 105.19 108.68 2wg1 n GLY 480 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2wg1 n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wg1 s ASN 481 N -2.06 0.41 0.30 1.61 3.84 -1.25 -4.92 114.94 112.87 2wg1 s ASN 481 Ca 0.00 0.53 0.25 0.00 0.21 0.00 0.00 52.86 53.85 2wg1 s ASN 481 Cb 0.00 0.58 1.07 0.00 -0.55 0.00 0.00 41.25 42.35 2wg1 s ASN 481 CO 0.00 -0.24 1.74 1.55 -2.79 0.00 0.00 177.10 177.37 2wg1 h PRO 482 N 8.24 0.00 -6.34 0.43 0.13 -1.81 -3.13 132.00 129.52 2wg1 h PRO 482 Ca -0.15 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.43 2wg1 h PRO 482 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2wg1 h PRO 482 CO 0.15 0.00 0.17 -0.80 -0.23 0.00 0.00 178.00 177.29 2wg1 s ASN 483 N -4.38 7.25 0.16 1.44 0.01 -1.26 -4.42 114.94 113.74 2wg1 s ASN 483 Ca 0.03 1.49 -0.31 0.00 -0.71 0.00 0.00 52.86 53.36 2wg1 s ASN 483 Cb 0.09 -2.48 -0.10 0.00 0.41 0.00 0.00 41.25 39.18 2wg1 s ASN 483 CO 0.38 0.05 1.51 -1.61 -1.51 0.00 0.00 177.10 175.92 2wg1 s GLU 484 N -0.25 4.25 0.48 -0.60 0.41 -1.26 -4.99 118.70 116.74 2wg1 s GLU 484 Ca 0.38 2.28 -0.24 0.00 -0.41 0.00 0.00 54.97 56.99 2wg1 s GLU 484 Cb -0.21 -3.17 -0.07 0.00 -1.78 0.00 0.00 34.13 28.90 2wg1 s GLU 484 CO 0.24 -0.54 1.36 -2.14 -0.49 0.00 0.00 175.26 173.68 2wg1 s PRO 485 N 0.96 3.55 -1.23 0.39 0.02 -1.26 -3.29 135.00 134.14 2wg1 s PRO 485 Ca 0.67 2.25 -0.20 0.00 0.02 0.00 0.00 61.00 63.75 2wg1 s PRO 485 Cb -0.42 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 31.60 2wg1 s PRO 485 CO 0.32 -0.87 0.65 0.72 -0.33 0.00 0.00 177.00 177.49 2wg1 n HIS 486 N -0.46 -1.67 -4.29 6.54 8.25 -1.26 -4.98 115.22 117.35 2wg1 n HIS 486 Ca 0.07 0.40 -0.24 0.00 -0.26 0.00 0.00 57.72 57.69 2wg1 n HIS 486 Cb 0.44 -3.27 -0.08 0.00 1.12 0.00 0.00 29.99 28.20 2wg1 n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wg1 s SER 487 N -3.70 4.30 0.00 0.41 0.15 -1.21 -5.07 113.70 108.58 2wg1 s SER 487 Ca 0.37 -0.89 0.21 0.00 0.70 0.00 0.00 55.95 56.34 2wg1 s SER 487 Cb -0.16 -0.61 -0.18 0.00 -1.71 0.00 0.00 66.02 63.36 2wg1 s SER 487 CO 0.91 -0.19 0.93 0.00 1.20 0.00 0.00 173.24 176.09 2wg1 n GLN 488 N -0.96 0.31 -1.61 5.44 1.13 -1.26 -4.98 117.38 115.46 2wg1 n GLN 488 Ca -0.04 -0.21 -0.30 0.00 -1.94 0.00 0.00 57.00 54.50 2wg1 n GLN 488 Cb 0.61 -1.49 0.09 0.00 0.11 0.00 0.00 30.24 29.56 2wg1 n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2wg1 s GLU 489 N -2.87 2.14 0.36 -1.09 8.01 -1.26 -5.01 118.70 118.99 2wg1 s GLU 489 Ca 0.10 0.59 -0.28 0.00 0.01 0.00 0.00 54.97 55.38 2wg1 s GLU 489 Cb 0.16 -1.93 -0.11 0.00 -4.31 0.00 0.00 34.13 27.95 2wg1 s GLU 489 CO 0.80 -1.57 1.45 -1.12 0.01 0.00 0.00 175.26 174.83 2wg1 s SER 490 N -3.99 6.44 -0.15 -0.19 0.01 -1.26 -4.97 113.70 109.59 2wg1 s SER 490 Ca 0.61 2.96 -0.20 0.00 1.31 0.00 0.00 55.95 60.63 2wg1 s SER 490 Cb -0.14 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 2wg1 s SER 490 CO 0.54 -0.80 0.59 -0.54 0.41 0.00 0.00 173.24 173.44 2wg1 s LYS 491 N -1.95 4.29 -0.44 12.44 -0.14 -1.26 -5.03 119.74 127.65 2wg1 s LYS 491 Ca 0.52 0.61 -0.28 0.00 -1.36 0.00 0.00 55.97 55.46 2wg1 s LYS 491 Cb -0.45 -3.51 -0.00 0.00 -1.68 0.00 0.00 37.83 32.19 2wg1 s LYS 491 CO 0.60 -0.06 1.61 -0.46 -0.76 0.00 0.00 175.35 176.28 2wg1 s TRP 492 N 1.30 2.07 0.59 3.18 -0.11 -1.26 -5.00 118.94 119.71 2wg1 s TRP 492 Ca 0.29 0.64 -0.14 0.00 1.22 0.00 0.00 56.10 58.11 2wg1 s TRP 492 Cb -0.16 -4.23 -0.04 0.00 -1.50 0.00 0.00 33.47 27.54 2wg1 s TRP 492 CO 0.12 -2.36 1.03 -1.25 -4.62 0.00 0.00 176.95 169.87 2wg1 s PRO 493 N 5.60 3.49 0.36 5.86 0.04 -1.26 -4.87 135.00 144.22 2wg1 s PRO 493 Ca 0.67 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 2wg1 s PRO 493 Cb -0.16 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 2wg1 s PRO 493 CO 0.30 -0.66 1.43 -1.17 0.04 0.00 0.00 177.00 176.94 2wg1 s LEU 494 N -4.68 4.35 -0.13 -3.56 2.96 -1.26 -4.72 118.68 111.64 2wg1 s LEU 494 Ca 0.60 2.95 -0.28 0.00 -0.22 0.00 0.00 54.13 57.18 2wg1 s LEU 494 Cb -0.13 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 2wg1 s LEU 494 CO 0.41 -0.78 0.94 0.12 -1.32 0.00 0.00 176.35 175.72 2wg1 s PHE 495 N -1.13 3.48 0.19 5.38 2.19 0.11 -4.44 117.98 123.76 2wg1 s PHE 495 Ca 0.52 1.46 0.10 0.00 0.33 0.00 0.00 56.93 59.33 2wg1 s PHE 495 Cb -0.45 -3.12 -0.04 0.00 -1.31 0.00 0.00 43.02 38.11 2wg1 s PHE 495 CO 0.60 -0.23 -0.20 0.95 1.83 0.00 0.00 175.22 178.17 2wg1 s THR 496 N 2.05 2.08 0.27 0.12 -4.23 -1.26 -4.33 115.64 110.34 2wg1 s THR 496 Ca 0.44 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2wg1 s THR 496 Cb -0.18 -2.01 0.26 0.00 1.34 0.00 0.00 72.50 71.92 2wg1 s THR 496 CO 0.16 -0.28 1.74 0.74 -0.54 0.00 0.00 174.62 176.43 2wg1 h THR 497 N 3.06 0.63 0.00 3.99 2.02 -1.95 0.21 112.91 120.87 2wg1 h THR 497 Ca -0.43 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2wg1 h THR 497 Cb 1.22 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2wg1 h THR 497 CO 0.52 0.10 -0.00 0.50 0.37 0.00 0.00 175.52 177.00 2wg1 h LYS 498 N 0.53 -0.00 0.00 6.66 3.64 -2.01 -3.39 116.57 121.99 2wg1 h LYS 498 Ca 0.50 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.72 2wg1 h LYS 498 Cb 0.82 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2wg1 h LYS 498 CO -0.43 0.86 -2.02 0.39 -2.27 0.00 0.00 179.45 175.99 2wg1 n GLU 499 N -4.67 0.66 -3.68 1.90 1.02 -1.17 -5.01 120.64 109.69 2wg1 n GLU 499 Ca -0.10 -0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.75 2wg1 n GLU 499 Cb 0.42 -1.58 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 2wg1 n GLU 499 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wg1 n GLN 500 N -2.55 -6.31 -2.78 3.49 6.02 0.73 -4.49 117.38 111.49 2wg1 n GLN 500 Ca -0.15 0.72 -0.36 0.00 -0.01 0.00 0.00 57.00 57.20 2wg1 n GLN 500 Cb 0.83 -5.60 -0.07 0.00 1.02 0.00 0.00 30.24 26.42 2wg1 n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2wg1 s LYS 501 N -6.14 4.46 0.23 -1.09 1.02 -1.26 -1.81 119.74 115.15 2wg1 s LYS 501 Ca 0.36 1.27 -0.07 0.00 0.02 0.00 0.00 55.97 57.55 2wg1 s LYS 501 Cb -0.17 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2wg1 s LYS 501 CO 0.78 0.17 0.34 -0.59 -0.92 0.00 0.00 175.35 175.13 2wg1 s PHE 502 N -1.78 0.73 0.16 3.18 -0.71 0.03 -4.19 117.98 115.41 2wg1 s PHE 502 Ca 0.54 -1.03 0.10 0.00 -1.04 0.00 0.00 56.93 55.51 2wg1 s PHE 502 Cb -0.16 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2wg1 s PHE 502 CO 0.21 -0.86 -0.23 0.96 -1.34 0.00 0.00 175.22 173.96 2wg1 s ILE 503 N -4.02 2.16 0.39 -4.49 -4.36 -1.04 -0.57 121.20 109.27 2wg1 s ILE 503 Ca 0.30 -1.90 -0.19 0.00 -0.26 0.00 0.00 60.65 58.60 2wg1 s ILE 503 Cb 0.02 -1.98 -0.10 0.00 1.25 0.00 0.00 42.46 41.65 2wg1 s ILE 503 CO 0.11 -0.11 0.86 1.51 0.24 0.00 0.00 174.94 177.56 2wg1 s ASP 504 N -2.46 6.87 -0.27 4.36 1.47 -1.02 -1.14 116.67 124.48 2wg1 s ASP 504 Ca 0.17 1.52 -0.01 0.00 1.18 0.00 0.00 52.55 55.41 2wg1 s ASP 504 Cb -0.08 -2.47 0.04 0.00 -0.34 0.00 0.00 42.92 40.07 2wg1 s ASP 504 CO 0.08 -0.30 -0.05 -0.76 0.68 0.00 0.00 175.17 174.82 2wg1 s LEU 505 N -3.11 3.49 0.00 2.11 1.43 0.50 -4.63 118.68 118.47 2wg1 s LEU 505 Ca 0.59 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2wg1 s LEU 505 Cb -0.09 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2wg1 s LEU 505 CO 0.15 -0.19 0.00 -0.46 0.23 0.00 0.00 176.35 176.08 2wg1 n ASN 506 N 4.61 0.00 -0.23 2.29 0.23 -1.26 -1.74 115.26 119.15 2wg1 n ASN 506 Ca -0.15 -0.85 0.14 0.00 -0.53 0.00 0.00 54.58 53.19 2wg1 n ASN 506 Cb 0.45 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.64 2wg1 n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2wg1 n THR 507 N 0.00 0.00 -2.33 5.53 -2.24 -1.26 -4.87 114.28 109.10 2wg1 n THR 507 Ca 0.00 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2wg1 n THR 507 Cb 0.00 0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.51 2wg1 n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wg1 s GLU 508 N -2.41 2.50 0.30 -0.78 2.02 -1.26 -5.02 118.70 114.05 2wg1 s GLU 508 Ca 0.28 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 2wg1 s GLU 508 Cb 0.20 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 2wg1 s GLU 508 CO 0.47 -0.98 1.56 -2.14 0.02 0.00 0.00 175.26 174.20 2wg1 s PRO 509 N -5.09 4.14 0.02 0.39 0.02 -1.26 -4.86 135.00 128.36 2wg1 s PRO 509 Ca 0.57 2.55 -0.38 0.00 0.02 0.00 0.00 61.00 63.76 2wg1 s PRO 509 Cb -0.11 -3.03 -0.17 0.00 0.02 0.00 0.00 34.50 31.22 2wg1 s PRO 509 CO 0.44 -0.60 1.36 -0.12 -0.33 0.00 0.00 177.00 177.75 2wg1 n MET 510 N 2.00 0.97 -4.79 5.54 0.00 -1.26 -4.98 117.12 114.61 2wg1 n MET 510 Ca 0.07 0.35 -0.32 0.00 -0.00 0.00 0.00 57.70 57.81 2wg1 n MET 510 Cb 0.38 -1.98 -0.13 0.00 0.00 0.00 0.00 33.22 31.49 2wg1 n MET 510 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wg1 s LYS 511 N 0.82 2.31 -0.16 2.12 1.02 -1.26 -5.05 119.74 119.54 2wg1 s LYS 511 Ca 0.87 -0.83 -0.07 0.00 0.02 0.00 0.00 55.97 55.97 2wg1 s LYS 511 Cb -1.02 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2wg1 s LYS 511 CO 0.51 0.58 0.08 0.08 -0.92 0.00 0.00 175.35 175.68 2wg1 s VAL 512 N -0.83 4.97 0.42 3.17 1.01 -1.26 -2.43 120.40 125.45 2wg1 s VAL 512 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2wg1 s VAL 512 Cb -0.11 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2wg1 s VAL 512 CO 0.03 0.51 0.09 -1.00 0.00 0.00 0.00 175.10 174.73 2wg1 s HIS 513 N -0.10 1.85 0.08 5.22 0.09 0.27 -4.98 115.29 117.72 2wg1 s HIS 513 Ca 0.08 -1.14 0.03 0.00 -0.00 0.00 0.00 55.06 54.03 2wg1 s HIS 513 Cb -0.12 -1.30 -0.03 0.00 -0.00 0.00 0.00 32.58 31.13 2wg1 s HIS 513 CO 0.01 -0.11 -0.10 -0.65 -0.00 0.00 0.00 174.74 173.89 2wg1 s GLN 514 N -3.77 0.78 -0.99 1.40 -0.21 -1.26 -0.79 119.66 114.82 2wg1 s GLN 514 Ca 0.22 -1.07 -0.10 0.00 0.02 0.00 0.00 55.36 54.42 2wg1 s GLN 514 Cb 0.03 -0.50 -0.02 0.00 1.00 0.00 0.00 33.01 33.52 2wg1 s GLN 514 CO 0.12 0.08 0.79 0.54 -2.12 0.00 0.00 175.29 174.70 2wg1 n ARG 515 N 0.76 -1.54 -1.61 2.91 1.74 -0.75 -4.82 116.66 113.35 2wg1 n ARG 515 Ca -0.18 0.84 -0.53 0.00 -0.77 0.00 0.00 57.85 57.22 2wg1 n ARG 515 Cb 0.57 -4.75 -0.06 0.00 -1.02 0.00 0.00 32.46 27.19 2wg1 n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wg1 n LEU 516 N -3.21 2.60 -4.30 0.55 0.00 -1.26 -2.32 117.00 109.05 2wg1 n LEU 516 Ca -0.09 0.82 -0.38 0.00 0.00 0.00 0.00 56.01 56.36 2wg1 n LEU 516 Cb 0.59 -1.25 -0.04 0.00 0.00 0.00 0.00 43.42 42.72 2wg1 n LEU 516 CO 0.61 -0.42 -0.06 0.54 0.00 0.00 0.00 177.39 178.05 2wg1 n ARG 517 N 6.72 -2.58 -0.22 1.96 1.74 -1.26 -4.85 116.66 118.18 2wg1 n ARG 517 Ca 0.31 0.32 -0.04 0.00 -0.77 0.00 0.00 57.85 57.66 2wg1 n ARG 517 Cb 0.21 -4.99 0.14 0.00 -1.02 0.00 0.00 32.46 26.80 2wg1 n ARG 517 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wg1 h VAL 518 N -1.36 1.24 0.41 1.55 3.04 -1.83 0.04 116.25 119.34 2wg1 h VAL 518 Ca -0.59 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 2wg1 h VAL 518 Cb 1.38 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2wg1 h VAL 518 CO 0.81 0.30 -0.26 -0.61 -1.01 0.00 0.00 177.57 176.80 2wg1 h GLN 519 N 1.00 -0.62 -0.67 4.17 5.75 -1.88 0.90 115.11 123.76 2wg1 h GLN 519 Ca 0.23 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 2wg1 h GLN 519 Cb 0.20 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2wg1 h GLN 519 CO -0.02 -0.41 0.22 0.52 -2.65 0.00 0.00 178.83 176.49 2wg1 h MET 520 N -0.64 1.01 -0.00 1.69 2.86 -1.92 -2.86 114.93 115.06 2wg1 h MET 520 Ca -0.04 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 2wg1 h MET 520 Cb 0.53 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2wg1 h MET 520 CO 0.04 0.85 -0.65 0.00 1.06 0.00 0.00 176.91 178.21 2wg1 h VAL 522 N 0.00 1.20 0.27 0.00 2.07 -0.74 0.30 116.25 119.35 2wg1 h VAL 522 Ca -0.01 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2wg1 h VAL 522 Cb 1.16 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2wg1 h VAL 522 CO 0.09 0.20 -0.19 0.15 0.02 0.00 0.00 177.57 177.84 2wg1 h PHE 523 N 0.98 -0.49 -0.07 1.57 3.57 -1.18 -0.39 116.94 120.94 2wg1 h PHE 523 Ca 0.26 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2wg1 h PHE 523 Cb -0.07 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2wg1 h PHE 523 CO -0.02 -0.29 -0.48 -1.49 -2.23 0.00 0.00 178.31 173.80 2wg1 h TRP 524 N -0.45 0.20 0.00 0.41 4.06 -1.03 0.24 115.95 119.39 2wg1 h TRP 524 Ca -0.02 -0.06 -0.34 0.00 2.06 0.00 0.00 58.89 60.53 2wg1 h TRP 524 Cb 0.39 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.44 2wg1 h TRP 524 CO -0.11 0.62 -2.23 0.09 -3.56 0.00 0.00 178.44 173.25 2wg1 n ASN 525 N -3.96 0.17 0.01 -3.49 3.02 0.10 -4.39 115.26 106.73 2wg1 n ASN 525 Ca -0.02 0.08 -0.03 0.00 -0.03 0.00 0.00 54.58 54.59 2wg1 n ASN 525 Cb 0.52 0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 40.51 2wg1 n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wg1 n GLN 526 N -2.79 0.15 0.09 3.52 6.02 -0.23 -4.78 117.38 119.36 2wg1 n GLN 526 Ca -0.29 0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 56.65 2wg1 n GLN 526 Cb 1.11 -0.76 -0.08 0.00 1.02 0.00 0.00 30.24 31.53 2wg1 n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2wg1 h PHE 527 N -0.28 -0.26 -0.23 1.08 3.57 -1.21 -3.02 116.94 116.59 2wg1 h PHE 527 Ca -0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2wg1 h PHE 527 Cb 0.32 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2wg1 h PHE 527 CO -0.12 0.14 0.11 1.25 -2.23 0.00 0.00 178.31 177.46 2wg1 h LEU 528 N -0.80 0.16 -0.69 0.59 5.85 -1.20 0.16 115.31 119.38 2wg1 h LEU 528 Ca -0.03 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2wg1 h LEU 528 Cb 0.51 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2wg1 h LEU 528 CO 0.05 0.12 0.38 -0.65 -0.34 0.00 0.00 178.44 178.00 2wg1 h PRO 529 N 0.24 0.67 -0.79 5.25 0.11 -1.77 0.21 132.00 135.93 2wg1 h PRO 529 Ca 0.10 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.19 2wg1 h PRO 529 Cb 0.03 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 2wg1 h PRO 529 CO -0.07 0.45 0.51 -0.22 -0.21 0.00 0.00 178.00 178.45 2wg1 h LYS 530 N 0.69 0.98 -0.22 1.05 3.64 -1.29 -0.96 116.57 120.47 2wg1 h LYS 530 Ca 0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2wg1 h LYS 530 Cb 0.21 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2wg1 h LYS 530 CO -0.19 0.65 0.14 1.25 -2.27 0.00 0.00 179.45 179.02 2wg1 h LEU 531 N 1.01 0.24 -1.02 5.20 6.46 0.34 -2.54 115.31 125.00 2wg1 h LEU 531 Ca 0.30 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.99 2wg1 h LEU 531 Cb -0.04 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2wg1 h LEU 531 CO -0.09 0.17 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.76 2wg1 h LEU 532 N 0.29 0.60 -0.85 2.25 3.38 -0.22 -2.60 115.31 118.15 2wg1 h LEU 532 Ca 0.08 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2wg1 h LEU 532 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wg1 h LEU 532 CO -0.02 0.72 -0.08 -1.13 0.09 0.00 0.00 178.44 178.01 2wg1 h ASN 533 N 0.58 0.75 1.56 -0.43 -0.73 -1.14 -3.22 115.58 112.95 2wg1 h ASN 533 Ca 0.11 -0.21 -0.07 0.00 1.87 0.00 0.00 56.30 58.00 2wg1 h ASN 533 Cb 0.47 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2wg1 h ASN 533 CO 0.02 0.87 -0.45 0.00 -0.37 0.00 0.00 177.43 177.50 2wg1 h ALA 534 N 1.21 0.76 -0.02 1.57 0.00 -1.23 -3.52 119.26 118.04 2wg1 h ALA 534 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wg1 h ALA 534 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wg1 h ALA 534 CO 0.03 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.95