#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgj s TYR 2 N 0.00 3.42 0.39 -1.42 2.02 -1.26 -0.94 117.35 119.57 1wgj s TYR 2 Ca 0.00 0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 1wgj s TYR 2 Cb 0.00 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1wgj s TYR 2 CO 0.00 0.43 0.15 0.95 -1.57 0.00 0.00 175.55 175.51 1wgj s THR 3 N -0.21 0.51 0.15 -0.71 -4.23 0.07 -4.92 115.64 106.29 1wgj s THR 3 Ca 0.10 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.72 1wgj s THR 3 Cb -0.12 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1wgj s THR 3 CO 0.01 0.00 -0.25 0.42 -0.54 0.00 0.00 174.62 174.26 1wgj s THR 4 N -3.26 2.37 -0.20 3.99 -4.23 -1.26 -0.62 115.64 112.43 1wgj s THR 4 Ca 0.26 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1wgj s THR 4 Cb 0.03 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1wgj s THR 4 CO 0.16 0.02 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.57 1wgj s ARG 5 N -2.28 1.98 -0.14 3.99 3.52 0.13 -4.89 118.95 121.27 1wgj s ARG 5 Ca 0.17 -0.87 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1wgj s ARG 5 Cb -0.09 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.81 1wgj s ARG 5 CO 0.08 -0.45 0.18 -1.14 -0.81 0.00 0.00 175.30 173.16 1wgj s GLN 6 N 1.39 3.78 -0.13 5.12 0.74 -1.26 -0.27 119.66 129.03 1wgj s GLN 6 Ca -0.02 -0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.33 1wgj s GLN 6 Cb -0.17 -3.28 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 1wgj s GLN 6 CO -0.08 0.58 -0.19 0.42 -0.55 0.00 0.00 175.29 175.47 1wgj s ILE 7 N -0.48 2.39 0.03 -2.34 -1.09 0.07 -0.51 121.20 119.28 1wgj s ILE 7 Ca 0.14 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1wgj s ILE 7 Cb -0.12 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 1wgj s ILE 7 CO 0.03 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1wgj n GLY 8 N 3.80 -2.05 3.89 6.18 0.00 -0.66 -2.12 105.19 114.23 1wgj n GLY 8 Ca -0.19 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1wgj n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgj s ALA 9 N -1.21 3.80 0.44 4.61 0.00 -1.26 -3.00 121.76 125.14 1wgj s ALA 9 Ca 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1wgj s ALA 9 Cb 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1wgj s ALA 9 CO 0.00 0.64 1.21 0.21 0.00 0.00 0.00 175.76 177.82 1wgj s LYS 10 N -2.16 3.81 -0.25 0.00 2.20 -1.26 -3.23 119.74 118.85 1wgj s LYS 10 Ca 0.34 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1wgj s LYS 10 Cb -0.13 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 1wgj s LYS 10 CO 0.20 -0.55 0.00 0.09 -0.36 0.00 0.00 175.35 174.73 1wgj n ASN 11 N -0.29 -2.09 -4.33 1.43 3.02 -1.26 -0.49 115.26 111.25 1wgj n ASN 11 Ca 0.06 0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.46 1wgj n ASN 11 Cb 0.47 -1.07 -0.10 0.00 -0.61 0.00 0.00 39.78 38.46 1wgj n ASN 11 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wgj s THR 12 N -2.13 1.14 0.01 3.41 -4.23 -1.20 -4.79 115.64 107.85 1wgj s THR 12 Ca 0.00 -2.05 0.32 0.00 -1.18 0.00 0.00 61.69 58.78 1wgj s THR 12 Cb 0.00 -2.28 0.38 0.00 1.34 0.00 0.00 72.50 71.94 1wgj s THR 12 CO 0.00 -0.39 1.92 -0.07 -0.54 0.00 0.00 174.62 175.54 1wgj h LEU 13 N 2.49 0.00 -0.34 4.79 3.38 -1.97 -2.88 115.31 120.78 1wgj h LEU 13 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1wgj h LEU 13 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wgj h LEU 13 CO 0.65 0.00 -0.28 -0.62 0.09 0.00 0.00 178.44 178.28 1wgj n GLU 14 N -3.09 0.62 -1.87 1.13 4.71 -1.26 -4.92 120.64 115.97 1wgj n GLU 14 Ca 0.01 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.16 56.40 1wgj n GLU 14 Cb 0.34 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 1wgj n GLU 14 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 1wgj s TYR 15 N -2.61 2.99 -0.09 -0.32 5.04 -1.09 -4.51 117.35 116.76 1wgj s TYR 15 Ca 0.22 0.52 -0.08 0.00 -2.44 0.00 0.00 57.07 55.29 1wgj s TYR 15 Cb 0.19 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.53 1wgj s TYR 15 CO 0.55 -3.72 0.24 0.15 -1.34 0.00 0.00 175.55 171.43 1wgj s LYS 16 N 1.21 0.28 -0.19 4.97 1.02 -0.90 -4.38 119.74 121.75 1wgj s LYS 16 Ca 0.72 0.34 0.01 0.00 0.02 0.00 0.00 55.97 57.05 1wgj s LYS 16 Cb -0.45 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1wgj s LYS 16 CO 0.31 -0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.68 1wgj s VAL 17 N 0.16 1.58 -0.06 3.17 1.01 -0.31 -0.75 120.40 125.20 1wgj s VAL 17 Ca -0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1wgj s VAL 17 Cb -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1wgj s VAL 17 CO 0.00 0.22 0.17 -0.31 0.00 0.00 0.00 175.10 175.18 1wgj s TYR 18 N 1.44 3.58 -0.08 5.22 1.51 0.62 -1.02 117.35 128.62 1wgj s TYR 18 Ca 0.00 0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 56.36 1wgj s TYR 18 Cb -0.15 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1wgj s TYR 18 CO -0.09 0.69 0.40 0.42 -1.11 0.00 0.00 175.55 175.87 1wgj s ILE 19 N -1.18 5.16 -0.06 2.71 1.01 -1.26 0.20 121.20 127.77 1wgj s ILE 19 Ca 0.21 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.68 1wgj s ILE 19 Cb -0.12 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1wgj s ILE 19 CO 0.12 0.45 -0.10 -1.61 0.00 0.00 0.00 174.94 173.79 1wgj s GLU 20 N -0.12 2.68 -0.33 2.79 2.02 0.21 -1.32 118.70 124.63 1wgj s GLU 20 Ca 0.23 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.56 1wgj s GLU 20 Cb -0.15 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.62 1wgj s GLU 20 CO 0.10 0.63 0.07 0.21 0.02 0.00 0.00 175.26 176.29 1wgj s LYS 21 N -0.73 2.48 -1.24 1.61 2.47 0.18 -0.75 119.74 123.76 1wgj s LYS 21 Ca 0.11 -1.29 -0.03 0.00 -1.56 0.00 0.00 55.97 53.21 1wgj s LYS 21 Cb -0.11 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 32.89 1wgj s LYS 21 CO 0.01 -0.69 0.80 -0.25 0.16 0.00 0.00 175.35 175.38 1wgj n ASP 22 N 4.71 -2.39 0.00 1.43 8.00 -0.12 -1.29 116.55 126.89 1wgj n ASP 22 Ca -0.12 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1wgj n ASP 22 Cb 0.44 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1wgj n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgj n GLY 23 N -1.45 0.86 3.39 0.44 0.00 -1.26 -5.00 105.19 102.17 1wgj n GLY 23 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1wgj n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgj s LYS 24 N -0.28 3.27 0.26 1.61 0.00 -0.41 -5.01 119.74 119.17 1wgj s LYS 24 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 55.97 54.98 1wgj s LYS 24 Cb 0.00 -2.60 -0.11 0.00 0.00 0.00 0.00 37.83 35.12 1wgj s LYS 24 CO 0.00 0.27 1.54 -2.14 0.00 0.00 0.00 175.35 175.02 1wgj s PRO 25 N 0.20 4.18 0.20 1.78 0.02 -1.26 0.51 135.00 140.63 1wgj s PRO 25 Ca -0.08 2.46 0.06 0.00 0.02 0.00 0.00 61.00 63.45 1wgj s PRO 25 Cb -0.15 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1wgj s PRO 25 CO 0.05 -0.56 -0.08 0.14 -0.33 0.00 0.00 177.00 176.22 1wgj s VAL 26 N 0.14 1.38 -0.08 3.83 -7.23 -0.43 -4.59 120.40 113.41 1wgj s VAL 26 Ca 0.63 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1wgj s VAL 26 Cb -0.45 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1wgj s VAL 26 CO 0.44 -0.53 1.39 -0.55 -0.31 0.00 0.00 175.10 175.54 1wgj s SER 27 N -3.29 6.87 0.41 4.85 0.15 -1.26 -4.40 113.70 117.03 1wgj s SER 27 Ca 0.23 1.95 0.29 0.00 0.70 0.00 0.00 55.95 59.12 1wgj s SER 27 Cb 0.03 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 63.09 1wgj s SER 27 CO 0.06 -0.77 1.87 0.00 1.20 0.00 0.00 173.24 175.60 1wgj h ALA 28 N 8.34 1.00 0.03 5.45 0.00 -1.62 -0.85 119.26 131.61 1wgj h ALA 28 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 1wgj h ALA 28 Cb 1.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1wgj h ALA 28 CO 0.94 0.00 -1.81 0.34 0.00 0.00 0.00 179.25 178.72 1wgj n PHE 29 N -2.61 0.80 -0.05 0.00 -0.00 -1.26 -4.67 117.46 109.66 1wgj n PHE 29 Ca 0.01 0.27 -0.02 0.00 -0.00 0.00 0.00 57.45 57.71 1wgj n PHE 29 Cb 0.21 -1.09 -0.13 0.00 -0.00 0.00 0.00 39.48 38.47 1wgj n PHE 29 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1wgj n HIS 30 N -4.04 0.00 1.12 -5.13 -0.00 -1.16 -0.86 115.22 105.14 1wgj n HIS 30 Ca -0.38 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.46 1wgj n HIS 30 Cb 0.85 -0.65 0.20 0.00 -0.00 0.00 0.00 29.99 30.38 1wgj n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wgj n ASP 31 N -2.41 1.25 -4.65 0.41 8.00 -0.33 -4.81 116.55 114.00 1wgj n ASP 31 Ca -0.18 -1.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.95 1wgj n ASP 31 Cb 0.81 0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 42.16 1wgj n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wgj s ILE 32 N -2.61 5.32 0.32 0.53 1.01 -1.25 -4.95 121.20 119.58 1wgj s ILE 32 Ca 0.19 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 1wgj s ILE 32 Cb 0.18 -3.54 -0.11 0.00 0.01 0.00 0.00 42.46 39.00 1wgj s ILE 32 CO 0.59 0.31 1.47 -2.84 0.00 0.00 0.00 174.94 174.48 1wgj s PRO 33 N 1.23 4.19 0.18 2.79 0.02 -1.26 -4.35 135.00 137.79 1wgj s PRO 33 Ca 0.09 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 1wgj s PRO 33 Cb -0.14 -3.03 0.09 0.00 0.02 0.00 0.00 34.50 31.44 1wgj s PRO 33 CO 0.06 -0.48 1.73 1.25 -0.33 0.00 0.00 177.00 179.24 1wgj h LEU 34 N 4.02 0.90 -9.37 -5.54 5.85 -1.89 -3.39 115.31 105.89 1wgj h LEU 34 Ca -0.48 -0.18 -0.61 0.00 0.84 0.00 0.00 57.88 57.45 1wgj h LEU 34 Cb 1.23 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1wgj h LEU 34 CO 0.71 0.83 -0.41 -0.31 -0.34 0.00 0.00 178.44 178.93 1wgj s TYR 35 N -5.52 3.48 -0.10 1.25 2.02 -1.26 -1.15 117.35 116.07 1wgj s TYR 35 Ca -0.13 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 1wgj s TYR 35 Cb 0.13 -2.19 -0.24 0.00 -0.40 0.00 0.00 41.96 39.26 1wgj s TYR 35 CO 0.81 0.37 0.44 0.00 -1.57 0.00 0.00 175.55 175.60 1wgj n ALA 36 N 3.18 1.20 -3.32 3.71 0.00 0.11 -4.73 120.51 120.66 1wgj n ALA 36 Ca -0.15 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.44 1wgj n ALA 36 Cb 0.52 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 1wgj n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wgj s ASP 37 N -6.53 0.53 0.12 0.00 -1.08 -0.77 -5.00 116.67 103.94 1wgj s ASP 37 Ca -0.15 -1.13 -0.29 0.00 -0.52 0.00 0.00 52.55 50.46 1wgj s ASP 37 Cb 0.07 0.93 -0.07 0.00 -1.46 0.00 0.00 42.92 42.40 1wgj s ASP 37 CO 0.79 -0.27 1.59 0.50 0.52 0.00 0.00 175.17 178.30 1wgj h LYS 38 N 7.35 -0.51 0.00 4.34 3.64 -1.85 -1.60 116.57 127.94 1wgj h LYS 38 Ca 0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1wgj h LYS 38 Cb 1.09 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1wgj h LYS 38 CO 0.20 -0.34 0.00 0.93 -2.27 0.00 0.00 179.45 177.97 1wgj h GLU 39 N -0.53 0.00 -0.24 1.90 4.39 -1.97 -0.90 114.58 117.22 1wgj h GLU 39 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1wgj h GLU 39 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1wgj h GLU 39 CO -0.31 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.63 1wgj n ASN 40 N -2.42 3.19 -3.49 1.42 3.02 -1.01 -4.99 115.26 110.98 1wgj n ASN 40 Ca 0.02 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.42 1wgj n ASN 40 Cb 0.23 -0.14 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1wgj n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wgj n ASN 41 N 1.37 -2.40 -4.39 6.41 3.02 -0.34 -5.01 115.26 113.91 1wgj n ASN 41 Ca 0.16 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 1wgj n ASN 41 Cb 0.58 -4.95 -0.14 0.00 -0.61 0.00 0.00 39.78 34.66 1wgj n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wgj s ILE 42 N -3.40 3.31 0.26 2.41 1.01 -0.69 -4.23 121.20 119.87 1wgj s ILE 42 Ca 0.07 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.27 1wgj s ILE 42 Cb -0.03 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1wgj s ILE 42 CO 0.74 0.50 -0.14 -0.36 0.00 0.00 0.00 174.94 175.69 1wgj s PHE 43 N 0.50 2.45 -0.31 3.97 0.08 -0.06 -0.71 117.98 123.90 1wgj s PHE 43 Ca -0.07 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1wgj s PHE 43 Cb -0.15 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 1wgj s PHE 43 CO 0.04 0.65 0.47 -0.80 -0.10 0.00 0.00 175.22 175.47 1wgj s ASN 44 N -3.40 6.32 -0.14 1.36 0.01 -0.30 -1.30 114.94 117.48 1wgj s ASN 44 Ca 0.29 0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.55 1wgj s ASN 44 Cb -0.06 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1wgj s ASN 44 CO 0.16 -0.35 0.02 -0.32 -1.51 0.00 0.00 177.10 175.10 1wgj s MET 45 N 2.27 3.59 -0.33 -0.60 -2.45 0.46 -4.18 119.30 118.07 1wgj s MET 45 Ca 0.18 -0.39 -0.13 0.00 -1.25 0.00 0.00 55.69 54.10 1wgj s MET 45 Cb -0.16 -3.02 -0.02 0.00 1.25 0.00 0.00 34.83 32.88 1wgj s MET 45 CO 0.11 0.42 0.26 0.08 1.05 0.00 0.00 175.02 176.94 1wgj s VAL 46 N -0.07 5.27 0.00 10.11 1.01 -0.46 -0.70 120.40 135.56 1wgj s VAL 46 Ca 0.05 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1wgj s VAL 46 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1wgj s VAL 46 CO 0.02 0.03 0.89 -0.69 0.00 0.00 0.00 175.10 175.34 1wgj s VAL 47 N 1.79 4.84 -0.22 2.92 1.01 0.20 -1.75 120.40 129.20 1wgj s VAL 47 Ca 0.07 1.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.84 1wgj s VAL 47 Cb -0.17 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1wgj s VAL 47 CO 0.11 0.22 -0.27 -0.62 0.00 0.00 0.00 175.10 174.55 1wgj n GLU 48 N 3.60 0.48 -4.00 2.72 1.02 0.48 -0.52 120.64 124.42 1wgj n GLU 48 Ca 0.03 0.19 -0.29 0.00 -0.02 0.00 0.00 57.16 57.07 1wgj n GLU 48 Cb 0.51 -1.31 -0.17 0.00 -0.02 0.00 0.00 31.44 30.45 1wgj n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wgj s ILE 49 N -2.41 1.36 0.62 -3.67 1.01 -0.29 -4.57 121.20 113.26 1wgj s ILE 49 Ca -0.30 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 1wgj s ILE 49 Cb 0.11 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1wgj s ILE 49 CO 0.41 0.42 1.11 -2.84 0.00 0.00 0.00 174.94 174.04 1wgj s PRO 50 N 1.54 2.99 0.61 2.79 0.02 -1.26 -1.03 135.00 140.66 1wgj s PRO 50 Ca 0.04 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 62.32 1wgj s PRO 50 Cb -0.13 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1wgj s PRO 50 CO -0.09 -1.11 1.32 0.50 -0.33 0.00 0.00 177.00 177.29 1wgj s ARG 51 N -3.84 2.76 -1.75 5.54 3.52 -1.24 -2.99 118.95 120.96 1wgj s ARG 51 Ca 0.69 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 1wgj s ARG 51 Cb -0.21 -1.99 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 1wgj s ARG 51 CO 0.37 -1.45 0.00 0.91 -0.81 0.00 0.00 175.30 174.31 1wgj n TRP 52 N -1.59 -0.60 -4.33 5.12 8.01 0.25 -4.94 117.44 119.36 1wgj n TRP 52 Ca 0.14 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 56.07 1wgj n TRP 52 Cb 0.47 -3.53 -0.09 0.00 -2.01 0.00 0.00 31.31 26.15 1wgj n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1wgj s THR 53 N -2.86 2.29 -0.01 -0.99 -4.23 -1.16 -4.74 115.64 103.94 1wgj s THR 53 Ca 0.00 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1wgj s THR 53 Cb 0.00 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1wgj s THR 53 CO 0.00 -0.05 0.01 0.59 -0.54 0.00 0.00 174.62 174.63 1wgj n ASN 54 N -1.08 4.60 -4.67 3.99 4.13 -1.26 -1.58 115.26 119.38 1wgj n ASN 54 Ca -0.03 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.79 1wgj n ASN 54 Cb 0.65 0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 39.45 1wgj n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgj n ALA 55 N -2.01 1.45 -2.59 5.41 0.00 -1.26 -0.85 120.51 120.66 1wgj n ALA 55 Ca -0.02 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1wgj n ALA 55 Cb 0.50 -2.62 -0.00 0.00 0.00 0.00 0.00 19.45 17.33 1wgj n ALA 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wgj s LYS 56 N 4.13 3.99 0.23 0.00 2.36 -0.57 -4.91 119.74 124.96 1wgj s LYS 56 Ca 0.89 -2.01 -0.23 0.00 -2.55 0.00 0.00 55.97 52.07 1wgj s LYS 56 Cb -0.51 -5.52 -0.09 0.00 -1.05 0.00 0.00 37.83 30.66 1wgj s LYS 56 CO 0.44 -2.24 0.80 -0.51 1.55 0.00 0.00 175.35 175.39 1wgj s LEU 57 N 4.14 4.43 0.03 5.43 1.43 -1.26 -1.00 118.68 131.88 1wgj s LEU 57 Ca 0.53 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 1wgj s LEU 57 Cb 0.04 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.70 1wgj s LEU 57 CO 0.07 0.07 0.42 -1.61 0.23 0.00 0.00 176.35 175.53 1wgj s GLU 58 N -1.70 0.90 0.11 1.70 2.02 0.16 -4.60 118.70 117.29 1wgj s GLU 58 Ca 0.42 -0.32 -0.31 0.00 0.02 0.00 0.00 54.97 54.78 1wgj s GLU 58 Cb -0.19 0.40 -0.08 0.00 0.10 0.00 0.00 34.13 34.36 1wgj s GLU 58 CO 0.24 -0.30 1.44 0.42 0.02 0.00 0.00 175.26 177.08 1wgj s ILE 59 N -2.31 3.18 -0.20 -1.63 1.01 -1.26 -1.45 121.20 118.54 1wgj s ILE 59 Ca -0.06 0.82 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1wgj s ILE 59 Cb -0.01 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1wgj s ILE 59 CO -0.01 0.05 0.38 0.28 0.00 0.00 0.00 174.94 175.64 1wgj s THR 60 N 1.33 5.22 0.27 2.92 -1.32 0.17 -4.92 115.64 119.30 1wgj s THR 60 Ca 0.66 0.66 0.14 0.00 -1.21 0.00 0.00 61.69 61.95 1wgj s THR 60 Cb -0.38 -3.71 0.06 0.00 -1.51 0.00 0.00 72.50 66.96 1wgj s THR 60 CO 0.30 0.27 1.71 0.11 -2.21 0.00 0.00 174.62 174.80 1wgj h LYS 61 N 7.33 0.00 -0.01 7.08 1.57 -1.92 -3.31 116.57 127.30 1wgj h LYS 61 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1wgj h LYS 61 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1wgj h LYS 61 CO 0.72 0.47 -0.04 0.39 -0.57 0.00 0.00 179.45 180.42 1wgj n GLU 62 N -3.78 1.47 -4.31 3.15 4.71 -1.26 -0.43 120.64 120.18 1wgj n GLU 62 Ca -0.01 -0.80 -0.29 0.00 -0.01 0.00 0.00 57.16 56.05 1wgj n GLU 62 Cb 0.52 -1.48 -0.11 0.00 -1.01 0.00 0.00 31.44 29.36 1wgj n GLU 62 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1wgj s GLU 63 N -2.08 1.80 0.17 3.49 2.02 -1.25 -4.74 118.70 118.12 1wgj s GLU 63 Ca 0.37 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.81 1wgj s GLU 63 Cb 0.21 -2.09 -0.10 0.00 0.10 0.00 0.00 34.13 32.25 1wgj s GLU 63 CO 0.37 0.46 1.55 0.99 0.02 0.00 0.00 175.26 178.65 1wgj s THR 64 N -1.32 2.64 -0.05 3.63 2.01 -1.26 -1.62 115.64 119.67 1wgj s THR 64 Ca 0.20 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1wgj s THR 64 Cb -0.10 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1wgj s THR 64 CO 0.11 0.04 0.00 0.18 -0.69 0.00 0.00 174.62 174.26 1wgj n LEU 65 N 3.76 0.21 -3.94 4.42 4.77 -1.26 -4.40 117.00 120.56 1wgj n LEU 65 Ca 0.13 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1wgj n LEU 65 Cb 0.39 -1.05 0.01 0.00 -2.33 0.00 0.00 43.42 40.43 1wgj n LEU 65 CO 0.61 -0.27 -0.20 0.59 -1.33 0.00 0.00 177.39 176.79 1wgj n ASN 66 N -0.16 -4.21 -4.65 -1.43 4.13 -0.64 -2.41 115.26 105.90 1wgj n ASN 66 Ca -0.00 -1.13 -0.29 0.00 1.68 0.00 0.00 54.58 54.83 1wgj n ASN 66 Cb 0.14 -1.52 0.18 0.00 -1.54 0.00 0.00 39.78 37.04 1wgj n ASN 66 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wgj s PRO 67 N -6.32 0.47 -0.13 3.52 0.04 -1.26 -4.07 135.00 127.26 1wgj s PRO 67 Ca 0.27 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 1wgj s PRO 67 Cb -0.15 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1wgj s PRO 67 CO 0.91 -2.78 0.41 0.42 0.04 0.00 0.00 177.00 176.00 1wgj s ILE 68 N -2.80 5.22 0.23 0.56 1.01 -0.19 -0.65 121.20 124.57 1wgj s ILE 68 Ca 0.65 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1wgj s ILE 68 Cb -0.20 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1wgj s ILE 68 CO 0.59 0.36 0.22 0.27 0.00 0.00 0.00 174.94 176.38 1wgj s ILE 69 N 0.48 0.00 0.01 2.92 -4.36 -0.53 -1.16 121.20 118.57 1wgj s ILE 69 Ca 0.23 -1.88 -0.24 0.00 -0.26 0.00 0.00 60.65 58.50 1wgj s ILE 69 Cb -0.14 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1wgj s ILE 69 CO 0.08 0.00 0.72 -1.58 0.24 0.00 0.00 174.94 174.41 1wgj s GLN 70 N -4.02 4.45 0.61 0.37 0.74 -1.26 -0.67 119.66 119.88 1wgj s GLN 70 Ca 0.36 0.97 -0.17 0.00 0.05 0.00 0.00 55.36 56.57 1wgj s GLN 70 Cb 0.05 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1wgj s GLN 70 CO 0.13 0.26 1.13 0.34 -0.55 0.00 0.00 175.29 176.60 1wgj s ASP 71 N 0.08 5.36 0.14 6.67 2.15 -0.17 -4.87 116.67 126.03 1wgj s ASP 71 Ca 0.37 2.12 0.07 0.00 0.43 0.00 0.00 52.55 55.54 1wgj s ASP 71 Cb -0.20 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 1wgj s ASP 71 CO 0.21 -1.47 -0.16 0.42 -0.17 0.00 0.00 175.17 174.01 1wgj s THR 72 N -2.02 1.54 -0.05 1.71 -4.23 -1.26 -0.29 115.64 111.04 1wgj s THR 72 Ca 0.70 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1wgj s THR 72 Cb -0.23 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 71.96 1wgj s THR 72 CO 0.34 -0.39 0.03 -0.54 -0.54 0.00 0.00 174.62 173.53 1wgj s LYS 73 N -2.77 0.25 -1.31 3.99 -0.14 0.16 -4.85 119.74 115.07 1wgj s LYS 73 Ca 0.12 0.24 -0.02 0.00 -1.36 0.00 0.00 55.97 54.95 1wgj s LYS 73 Cb -0.05 -0.72 -0.00 0.00 -1.68 0.00 0.00 37.83 35.38 1wgj s LYS 73 CO 0.04 -0.31 0.64 1.63 -0.76 0.00 0.00 175.35 176.59 1wgj n LYS 74 N 5.16 -4.04 -0.85 1.68 5.02 -1.26 -1.30 118.16 122.58 1wgj n LYS 74 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1wgj n LYS 74 Cb 0.50 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1wgj n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgj n GLY 75 N -1.68 0.30 3.45 0.72 0.00 -1.26 -4.98 105.19 101.74 1wgj n GLY 75 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1wgj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgj s LYS 76 N -0.90 2.10 0.26 1.61 1.02 -0.42 -5.08 119.74 118.33 1wgj s LYS 76 Ca 0.00 -0.96 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 1wgj s LYS 76 Cb 0.00 -2.19 -0.13 0.00 -0.52 0.00 0.00 37.83 34.99 1wgj s LYS 76 CO 0.00 0.55 1.43 1.28 -0.92 0.00 0.00 175.35 177.69 1wgj n LEU 77 N 1.64 3.42 -4.76 3.17 4.77 -1.26 -0.67 117.00 123.31 1wgj n LEU 77 Ca -0.16 1.15 -0.37 0.00 -0.03 0.00 0.00 56.01 56.60 1wgj n LEU 77 Cb 0.52 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.08 1wgj n LEU 77 CO 0.26 -0.35 -0.00 -0.60 -1.33 0.00 0.00 177.39 175.37 1wgj s ARG 78 N -0.60 4.11 -0.02 3.23 3.52 0.61 -4.78 118.95 125.02 1wgj s ARG 78 Ca 0.66 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 1wgj s ARG 78 Cb -0.61 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1wgj s ARG 78 CO 0.51 0.37 -0.08 -0.06 -0.81 0.00 0.00 175.30 175.24 1wgj s PHE 79 N 0.04 0.82 0.16 5.12 0.08 -1.26 -1.51 117.98 121.43 1wgj s PHE 79 Ca 0.18 -0.20 -0.26 0.00 0.12 0.00 0.00 56.93 56.78 1wgj s PHE 79 Cb -0.14 -0.60 -0.08 0.00 -0.57 0.00 0.00 43.02 41.64 1wgj s PHE 79 CO 0.06 -0.09 0.80 0.08 -0.10 0.00 0.00 175.22 175.97 1wgj s VAL 80 N 0.23 4.39 0.57 -0.44 1.01 -0.03 -4.92 120.40 121.21 1wgj s VAL 80 Ca -0.03 1.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 1wgj s VAL 80 Cb -0.08 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wgj s VAL 80 CO 0.00 0.49 0.95 -0.13 0.00 0.00 0.00 175.10 176.41 1wgj s ARG 81 N -0.96 3.59 -0.26 2.72 1.81 -1.26 -4.75 118.95 119.84 1wgj s ARG 81 Ca 0.37 0.57 -0.24 0.00 -1.72 0.00 0.00 55.73 54.71 1wgj s ARG 81 Cb -0.23 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.08 1wgj s ARG 81 CO 0.27 -0.44 0.81 -0.80 -0.68 0.00 0.00 175.30 174.46 1wgj s ASN 82 N -4.12 6.78 -0.23 0.23 0.01 -1.25 -4.62 114.94 111.74 1wgj s ASN 82 Ca 0.53 0.94 -0.02 0.00 -0.71 0.00 0.00 52.86 53.60 1wgj s ASN 82 Cb -0.11 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.15 1wgj s ASN 82 CO 0.50 -0.53 -0.07 0.00 -1.51 0.00 0.00 177.10 175.49 1wgj n PHE 84 N 4.69 1.14 -0.73 0.00 7.35 -0.18 -0.83 117.46 128.89 1wgj n PHE 84 Ca -0.17 0.72 -0.05 0.00 -0.76 0.00 0.00 57.45 57.18 1wgj n PHE 84 Cb 0.48 -2.24 0.27 0.00 0.35 0.00 0.00 39.48 38.33 1wgj n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1wgj n PRO 85 N 1.44 3.39 -3.45 -7.13 -0.04 -1.26 -4.85 135.00 123.09 1wgj n PRO 85 Ca 0.14 -2.64 -0.30 0.00 -0.04 0.00 0.00 63.50 60.66 1wgj n PRO 85 Cb 0.26 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1wgj n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1wgj s HIS 86 N -2.63 3.46 -0.34 0.54 3.76 -0.01 -5.07 115.29 114.99 1wgj s HIS 86 Ca 0.47 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.09 1wgj s HIS 86 Cb 0.38 -2.13 0.09 0.00 1.11 0.00 0.00 32.58 32.02 1wgj s HIS 86 CO 0.12 0.27 0.07 -1.58 -0.85 0.00 0.00 174.74 172.77 1wgj s HIS 87 N -1.88 3.55 0.00 1.40 2.46 -1.26 -3.57 115.29 115.98 1wgj s HIS 87 Ca 0.44 -2.51 0.00 0.00 0.47 0.00 0.00 55.06 53.47 1wgj s HIS 87 Cb -0.11 -2.73 0.00 0.00 -0.13 0.00 0.00 32.58 29.61 1wgj s HIS 87 CO 0.25 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 1wgj n GLY 88 N 4.46 2.75 3.73 1.59 0.00 -1.26 -4.10 105.19 112.37 1wgj n GLY 88 Ca -0.04 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1wgj n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgj s TYR 89 N 0.00 3.59 -2.15 1.61 1.51 -0.62 -4.85 117.35 116.44 1wgj s TYR 89 Ca 0.00 1.58 0.22 0.00 -1.01 0.00 0.00 57.07 57.86 1wgj s TYR 89 Cb 0.00 -3.27 0.56 0.00 -0.11 0.00 0.00 41.96 39.14 1wgj s TYR 89 CO 0.00 -0.62 1.48 0.44 -1.11 0.00 0.00 175.55 175.74 1wgj n ILE 90 N 2.61 0.77 -4.10 2.71 -5.35 -1.26 0.88 119.36 115.61 1wgj n ILE 90 Ca 0.03 -0.85 -0.09 0.00 -0.27 0.00 0.00 62.75 61.57 1wgj n ILE 90 Cb 0.46 0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 38.88 1wgj n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1wgj s HIS 91 N -1.23 0.73 -0.10 4.28 3.76 -1.26 -4.92 115.29 116.55 1wgj s HIS 91 Ca 0.43 -1.11 -0.27 0.00 -0.15 0.00 0.00 55.06 53.96 1wgj s HIS 91 Cb 0.23 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.53 1wgj s HIS 91 CO 0.31 -0.55 0.88 -0.80 -0.85 0.00 0.00 174.74 173.73 1wgj s ASN 92 N -3.02 7.12 -0.05 1.40 0.01 -0.84 -3.63 114.94 115.93 1wgj s ASN 92 Ca 0.21 1.37 0.04 0.00 -0.71 0.00 0.00 52.86 53.77 1wgj s ASN 92 Cb 0.07 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1wgj s ASN 92 CO 0.00 -0.33 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.64 1wgj s TYR 93 N 1.64 2.67 0.00 2.20 5.04 -0.20 -0.42 117.35 128.28 1wgj s TYR 93 Ca 0.44 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1wgj s TYR 93 Cb -0.18 -1.63 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1wgj s TYR 93 CO 0.18 0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.94 1wgj n GLY 94 N 2.40 2.48 3.31 8.97 0.00 -0.68 -0.39 105.19 121.28 1wgj n GLY 94 Ca -0.17 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1wgj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgj s ALA 95 N -1.00 0.51 -0.23 4.61 0.00 -0.71 -1.04 121.76 123.90 1wgj s ALA 95 Ca 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1wgj s ALA 95 Cb 0.00 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 1wgj s ALA 95 CO 0.00 -0.64 0.12 -0.06 0.00 0.00 0.00 175.76 175.18 1wgj s PHE 96 N -4.06 3.25 0.94 0.00 0.08 -0.95 -1.35 117.98 115.88 1wgj s PHE 96 Ca 0.27 0.06 -0.11 0.00 0.12 0.00 0.00 56.93 57.27 1wgj s PHE 96 Cb 0.05 -2.22 0.15 0.00 -0.57 0.00 0.00 43.02 40.43 1wgj s PHE 96 CO 0.06 0.01 1.09 -1.25 -0.10 0.00 0.00 175.22 175.03 1wgj s PRO 97 N 1.00 0.91 -1.59 0.24 0.04 -1.26 -3.77 135.00 130.57 1wgj s PRO 97 Ca 0.06 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 1wgj s PRO 97 Cb -0.14 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1wgj s PRO 97 CO 0.04 -2.55 0.52 1.04 0.04 0.00 0.00 177.00 176.09 1wgj n GLN 98 N -4.12 -4.40 -4.18 4.56 6.02 -0.04 -4.31 117.38 110.91 1wgj n GLN 98 Ca 0.08 0.91 -0.12 0.00 -0.01 0.00 0.00 57.00 57.86 1wgj n GLN 98 Cb 0.54 -5.75 -0.10 0.00 1.02 0.00 0.00 30.24 25.95 1wgj n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wgj s THR 99 N -3.15 0.81 -0.24 5.09 -4.23 -1.25 -4.36 115.64 108.31 1wgj s THR 99 Ca 0.26 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1wgj s THR 99 Cb -0.12 -1.59 0.10 0.00 1.34 0.00 0.00 72.50 72.23 1wgj s THR 99 CO 0.33 -0.77 0.54 0.86 -0.54 0.00 0.00 174.62 175.03 1wgj s TRP 100 N -3.24 -0.98 -0.93 3.99 -0.00 -0.46 -3.96 118.94 113.36 1wgj s TRP 100 Ca 0.10 1.84 -0.23 0.00 -0.00 0.00 0.00 56.10 57.82 1wgj s TRP 100 Cb 0.03 0.51 0.06 0.00 -0.00 0.00 0.00 33.47 34.07 1wgj s TRP 100 CO -0.03 -0.52 1.33 -1.21 -0.00 0.00 0.00 176.95 176.52 1wgj s GLU 101 N 2.31 3.48 -0.17 5.86 0.41 0.45 -4.61 118.70 126.44 1wgj s GLU 101 Ca -0.06 -1.04 -0.33 0.00 -0.41 0.00 0.00 54.97 53.13 1wgj s GLU 101 Cb -0.10 -4.98 -0.10 0.00 -1.78 0.00 0.00 34.13 27.16 1wgj s GLU 101 CO -0.16 -2.10 2.02 -3.47 -0.49 0.00 0.00 175.26 171.06 1wgj n ASP 102 N 8.51 3.15 0.15 -0.19 -0.08 -1.26 -1.52 116.55 125.32 1wgj n ASP 102 Ca 0.23 0.71 0.13 0.00 -1.51 0.00 0.00 54.79 54.35 1wgj n ASP 102 Cb 0.50 -1.39 0.32 0.00 2.34 0.00 0.00 41.12 42.89 1wgj n ASP 102 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wgj h PRO 103 N 11.04 0.00 -0.00 -0.67 0.13 -1.93 -0.25 132.00 140.32 1wgj h PRO 103 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wgj h PRO 103 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wgj h PRO 103 CO 0.97 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 178.80 1wgj n ASN 104 N -2.60 0.17 -3.90 1.44 3.02 -1.26 -4.49 115.26 107.63 1wgj n ASN 104 Ca 0.05 -0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 53.91 1wgj n ASN 104 Cb 0.46 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.38 1wgj n ASN 104 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wgj s VAL 105 N -2.34 0.04 0.07 2.41 -7.23 -1.24 -5.10 120.40 107.01 1wgj s VAL 105 Ca 0.35 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 1wgj s VAL 105 Cb 0.21 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.95 1wgj s VAL 105 CO 0.43 -0.20 1.01 -0.55 -0.31 0.00 0.00 175.10 175.49 1wgj s SER 106 N -0.59 7.37 -0.09 4.85 0.15 -1.26 -3.89 113.70 120.24 1wgj s SER 106 Ca -0.06 1.80 -0.23 0.00 0.70 0.00 0.00 55.95 58.15 1wgj s SER 106 Cb -0.04 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1wgj s SER 106 CO -0.00 -0.21 0.71 -1.00 1.20 0.00 0.00 173.24 173.94 1wgj s HIS 107 N 0.50 3.54 0.23 3.44 3.76 0.15 -4.83 115.29 122.07 1wgj s HIS 107 Ca 0.51 1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 56.57 1wgj s HIS 107 Cb -0.24 -2.83 0.37 0.00 1.11 0.00 0.00 32.58 30.99 1wgj s HIS 107 CO 0.30 0.03 1.76 -1.35 -0.85 0.00 0.00 174.74 174.62 1wgj h PRO 108 N 6.89 0.52 -0.16 8.40 0.11 -1.95 1.32 132.00 147.13 1wgj h PRO 108 Ca -0.39 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1wgj h PRO 108 Cb 1.18 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wgj h PRO 108 CO 0.76 0.34 -0.42 0.93 -0.21 0.00 0.00 178.00 179.41 1wgj h GLU 109 N 0.54 0.38 0.00 1.05 3.07 -1.96 -3.28 114.58 114.37 1wgj h GLU 109 Ca 0.36 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1wgj h GLU 109 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1wgj h GLU 109 CO -0.31 0.73 -1.01 0.25 -1.40 0.00 0.00 179.01 177.27 1wgj n THR 110 N -4.02 0.00 -3.24 1.13 -2.24 -1.12 -4.94 114.28 99.85 1wgj n THR 110 Ca -0.02 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 1wgj n THR 110 Cb 0.50 0.67 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1wgj n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wgj n LYS 111 N -1.57 -5.86 -3.76 -0.78 4.76 0.45 -4.98 118.16 106.42 1wgj n LYS 111 Ca 0.00 0.87 -0.11 0.00 -2.87 0.00 0.00 58.31 56.20 1wgj n LYS 111 Cb 0.25 -5.79 -0.07 0.00 -1.84 0.00 0.00 35.03 27.58 1wgj n LYS 111 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgj s ALA 112 N -3.22 -0.65 0.82 7.82 0.00 -1.17 -4.81 121.76 120.55 1wgj s ALA 112 Ca 0.41 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1wgj s ALA 112 Cb -0.18 0.36 0.09 0.00 0.00 0.00 0.00 23.12 23.38 1wgj s ALA 112 CO 0.50 -0.43 1.09 0.14 0.00 0.00 0.00 175.76 177.06 1wgj s VAL 113 N -2.74 3.05 0.78 0.00 -7.23 -1.26 -0.68 120.40 112.32 1wgj s VAL 113 Ca -0.04 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 1wgj s VAL 113 Cb -0.00 -2.91 0.06 0.00 0.56 0.00 0.00 36.38 34.09 1wgj s VAL 113 CO -0.05 -0.45 1.12 -0.83 -0.31 0.00 0.00 175.10 174.59 1wgj s GLY 114 N -3.56 1.61 -0.03 2.32 0.00 -0.11 -0.34 107.32 107.22 1wgj s GLY 114 Ca 0.62 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.00 1wgj s GLY 114 CO 0.56 0.04 1.08 2.09 0.00 0.00 0.00 173.10 176.86 1wgj n ASP 115 N -3.29 1.70 -3.41 1.64 5.75 -1.06 -4.01 116.55 113.87 1wgj n ASP 115 Ca 0.07 -2.10 -0.17 0.00 -0.01 0.00 0.00 54.79 52.57 1wgj n ASP 115 Cb 0.58 -0.30 0.08 0.00 -1.03 0.00 0.00 41.12 40.45 1wgj n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1wgj n ASN 116 N 0.19 -3.37 -3.47 -1.12 5.15 -0.57 -5.00 115.26 107.07 1wgj n ASN 116 Ca 0.08 -0.68 -0.11 0.00 -0.60 0.00 0.00 54.58 53.28 1wgj n ASN 116 Cb 0.32 -5.01 -0.02 0.00 -0.53 0.00 0.00 39.78 34.55 1wgj n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1wgj s ASP 117 N -4.06 -0.49 0.88 1.20 1.01 -1.26 -4.94 116.67 109.01 1wgj s ASP 117 Ca 0.15 -0.04 -0.11 0.00 0.71 0.00 0.00 52.55 53.25 1wgj s ASP 117 Cb -0.02 0.55 0.13 0.00 1.01 0.00 0.00 42.92 44.59 1wgj s ASP 117 CO 0.74 -0.91 1.17 -2.84 0.21 0.00 0.00 175.17 173.55 1wgj s PRO 118 N -3.60 1.21 0.54 8.23 0.02 -1.25 -0.41 135.00 139.74 1wgj s PRO 118 Ca 0.03 1.64 -0.20 0.00 0.02 0.00 0.00 61.00 62.48 1wgj s PRO 118 Cb -0.01 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1wgj s PRO 118 CO -0.11 -2.51 1.18 -1.50 -0.33 0.00 0.00 177.00 173.74 1wgj s ILE 119 N -2.46 2.89 0.18 2.83 2.07 -1.26 -4.75 121.20 120.70 1wgj s ILE 119 Ca 0.69 0.59 -0.10 0.00 -1.41 0.00 0.00 60.65 60.42 1wgj s ILE 119 Cb -0.25 -3.26 -0.07 0.00 0.13 0.00 0.00 42.46 39.01 1wgj s ILE 119 CO 0.55 -0.09 0.51 -1.81 -1.91 0.00 0.00 174.94 172.20 1wgj s ASP 120 N -1.55 6.67 -0.06 4.50 1.01 -1.22 -2.24 116.67 123.77 1wgj s ASP 120 Ca 0.72 0.91 0.02 0.00 0.71 0.00 0.00 52.55 54.91 1wgj s ASP 120 Cb -0.28 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1wgj s ASP 120 CO 0.32 0.02 -0.11 -0.69 0.21 0.00 0.00 175.17 174.92 1wgj s VAL 121 N -1.65 1.01 -0.33 -1.27 1.01 -0.20 -0.73 120.40 118.24 1wgj s VAL 121 Ca 0.42 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1wgj s VAL 121 Cb -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1wgj s VAL 121 CO 0.21 0.32 0.14 -0.76 0.00 0.00 0.00 175.10 175.01 1wgj s LEU 122 N 0.61 4.23 -0.33 3.92 1.43 0.47 -1.68 118.68 127.33 1wgj s LEU 122 Ca -0.12 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1wgj s LEU 122 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1wgj s LEU 122 CO 0.03 -0.26 0.23 -0.70 0.23 0.00 0.00 176.35 175.87 1wgj s GLU 123 N 1.54 3.55 0.00 1.70 -6.30 0.44 -0.82 118.70 118.81 1wgj s GLU 123 Ca 0.02 -0.60 0.19 0.00 -2.50 0.00 0.00 54.97 52.08 1wgj s GLU 123 Cb -0.18 -3.78 0.61 0.00 0.00 0.00 0.00 34.13 30.78 1wgj s GLU 123 CO 0.05 -0.41 1.47 0.44 0.02 0.00 0.00 175.26 176.83 1wgj n ILE 124 N 5.09 0.34 -0.56 -3.70 -5.35 -0.43 -1.99 119.36 112.76 1wgj n ILE 124 Ca -0.13 -0.46 -0.29 0.00 -0.27 0.00 0.00 62.75 61.61 1wgj n ILE 124 Cb 0.50 0.44 0.24 0.00 -1.74 0.00 0.00 39.64 39.08 1wgj n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wgj s GLY 125 N -1.42 1.57 0.21 3.28 0.00 -1.26 -4.95 107.32 104.76 1wgj s GLY 125 Ca 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.02 1wgj s GLY 125 CO 0.25 0.68 1.58 1.05 0.00 0.00 0.00 173.10 176.66 1wgj h GLU 126 N -2.51 0.60 -6.73 2.90 4.11 -1.99 -3.45 114.58 107.52 1wgj h GLU 126 Ca -0.58 -0.31 -0.50 0.00 0.07 0.00 0.00 59.36 58.04 1wgj h GLU 126 Cb 1.32 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1wgj h GLU 126 CO 0.49 0.90 0.40 0.99 0.07 0.00 0.00 179.01 181.86 1wgj s THR 127 N -4.27 3.92 -0.08 -1.06 2.01 -1.26 -5.01 115.64 109.90 1wgj s THR 127 Ca -0.08 1.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 1wgj s THR 127 Cb 0.12 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1wgj s THR 127 CO 0.83 0.41 1.02 -0.63 -0.69 0.00 0.00 174.62 175.56 1wgj s ILE 128 N -0.91 4.75 0.92 1.82 1.01 -1.26 -4.98 121.20 122.56 1wgj s ILE 128 Ca 0.44 2.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.97 1wgj s ILE 128 Cb -0.28 -4.29 0.20 0.00 0.01 0.00 0.00 42.46 38.11 1wgj s ILE 128 CO 0.35 0.03 1.26 0.00 0.00 0.00 0.00 174.94 176.58 1wgj s ALA 129 N 1.84 2.60 0.14 9.38 0.00 -1.26 -5.00 121.76 129.45 1wgj s ALA 129 Ca 0.50 -1.48 0.10 0.00 0.00 0.00 0.00 51.96 51.08 1wgj s ALA 129 Cb -0.19 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1wgj s ALA 129 CO 0.20 -2.31 -0.23 1.52 0.00 0.00 0.00 175.76 174.94 1wgj s TYR 130 N -3.74 2.05 0.09 0.00 -0.85 -1.26 -4.57 117.35 109.07 1wgj s TYR 130 Ca 0.74 -0.40 -0.31 0.00 -0.52 0.00 0.00 57.07 56.58 1wgj s TYR 130 Cb -0.03 -1.07 -0.09 0.00 0.38 0.00 0.00 41.96 41.15 1wgj s TYR 130 CO 0.51 0.33 1.76 0.99 -1.52 0.00 0.00 175.55 177.63 1wgj s THR 131 N -1.43 2.78 0.00 -3.49 2.01 -1.26 -1.94 115.64 112.31 1wgj s THR 131 Ca 0.13 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1wgj s THR 131 Cb -0.09 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1wgj s THR 131 CO 0.06 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1wgj n GLY 132 N 4.15 0.67 3.75 4.40 0.00 0.32 -5.02 105.19 113.46 1wgj n GLY 132 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1wgj n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wgj s GLN 133 N -0.69 4.49 -0.32 1.61 0.74 -0.82 -4.79 119.66 119.88 1wgj s GLN 133 Ca 0.00 1.94 -0.08 0.00 0.05 0.00 0.00 55.36 57.27 1wgj s GLN 133 Cb 0.00 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.93 1wgj s GLN 133 CO 0.00 -0.06 0.12 0.08 -0.55 0.00 0.00 175.29 174.88 1wgj s VAL 134 N -0.45 4.17 0.22 1.34 1.01 -1.26 -0.62 120.40 124.81 1wgj s VAL 134 Ca 0.51 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1wgj s VAL 134 Cb -0.34 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1wgj s VAL 134 CO 0.40 -0.03 -0.21 -1.59 0.00 0.00 0.00 175.10 173.68 1wgj s LYS 135 N 1.51 1.50 -0.18 2.72 -2.85 0.12 -4.91 119.74 117.66 1wgj s LYS 135 Ca 0.02 -1.59 -0.15 0.00 -1.00 0.00 0.00 55.97 53.25 1wgj s LYS 135 Cb -0.18 -1.64 -0.04 0.00 -2.06 0.00 0.00 37.83 33.90 1wgj s LYS 135 CO 0.04 0.33 0.34 -0.65 0.10 0.00 0.00 175.35 175.51 1wgj s GLN 136 N -3.07 4.22 0.13 1.78 1.11 -1.26 -0.40 119.66 122.17 1wgj s GLN 136 Ca 0.23 0.14 0.02 0.00 0.01 0.00 0.00 55.36 55.76 1wgj s GLN 136 Cb -0.06 -3.48 -0.04 0.00 -1.01 0.00 0.00 33.01 28.42 1wgj s GLN 136 CO 0.11 0.11 -0.04 0.14 0.01 0.00 0.00 175.29 175.62 1wgj s VAL 137 N 0.84 0.71 -0.02 1.09 -7.23 -0.42 -1.05 120.40 114.32 1wgj s VAL 137 Ca 0.18 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1wgj s VAL 137 Cb -0.14 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1wgj s VAL 137 CO 0.06 -0.69 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.38 1wgj s LYS 138 N -3.87 2.30 0.26 4.82 -2.85 -0.75 -0.88 119.74 118.77 1wgj s LYS 138 Ca 0.17 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 1wgj s LYS 138 Cb 0.05 -2.24 -0.09 0.00 -2.06 0.00 0.00 37.83 33.50 1wgj s LYS 138 CO -0.01 0.59 0.95 0.00 0.10 0.00 0.00 175.35 176.98 1wgj s ALA 139 N -0.73 3.32 -0.02 0.59 0.00 -1.26 -2.10 121.76 121.57 1wgj s ALA 139 Ca 0.12 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1wgj s ALA 139 Cb -0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1wgj s ALA 139 CO 0.01 0.19 0.03 1.28 0.00 0.00 0.00 175.76 177.26 1wgj n LEU 140 N 1.33 0.00 0.00 0.00 4.77 0.49 -4.85 117.00 118.74 1wgj n LEU 140 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1wgj n LEU 140 Cb 0.47 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1wgj n LEU 140 CO 0.49 0.05 0.04 0.61 -1.33 0.00 0.00 177.39 177.25 1wgj n GLY 141 N 2.66 0.50 3.55 -0.72 0.00 -1.19 -0.73 105.19 109.25 1wgj n GLY 141 Ca -0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1wgj n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wgj s ILE 142 N -2.07 0.00 -0.04 -0.61 2.07 -0.51 -1.27 121.20 118.76 1wgj s ILE 142 Ca 0.01 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.31 1wgj s ILE 142 Cb -0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1wgj s ILE 142 CO -0.00 0.00 -0.22 -0.04 -1.91 0.00 0.00 174.94 172.77 1wgj s MET 143 N -0.75 2.12 -1.14 3.50 -1.94 -0.07 -0.39 119.30 120.63 1wgj s MET 143 Ca -0.08 -0.79 -0.15 0.00 -1.71 0.00 0.00 55.69 52.96 1wgj s MET 143 Cb -0.01 -1.88 0.15 0.00 2.01 0.00 0.00 34.83 35.10 1wgj s MET 143 CO 0.07 0.38 1.38 0.00 -0.01 0.00 0.00 175.02 176.83 1wgj s ALA 144 N -0.22 3.77 0.04 3.03 0.00 -1.26 -1.04 121.76 126.08 1wgj s ALA 144 Ca 0.00 -3.16 -0.26 0.00 0.00 0.00 0.00 51.96 48.53 1wgj s ALA 144 Cb -0.12 -4.15 -0.05 0.00 0.00 0.00 0.00 23.12 18.81 1wgj s ALA 144 CO 0.02 -2.87 0.83 -1.17 0.00 0.00 0.00 175.76 172.56 1wgj s LEU 145 N 2.09 4.43 -0.47 0.00 2.96 -1.25 -1.06 118.68 125.38 1wgj s LEU 145 Ca 0.41 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1wgj s LEU 145 Cb -0.03 -3.33 0.11 0.00 0.50 0.00 0.00 46.19 43.44 1wgj s LEU 145 CO -0.02 -0.06 0.36 -0.76 -1.32 0.00 0.00 176.35 174.55 1wgj s LEU 146 N 0.22 5.69 -0.42 -0.68 1.43 0.11 -0.45 118.68 124.58 1wgj s LEU 146 Ca 0.42 -1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 51.54 1wgj s LEU 146 Cb -0.21 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1wgj s LEU 146 CO 0.24 -0.69 0.44 -0.62 0.23 0.00 0.00 176.35 175.96 1wgj s ASP 147 N 2.73 6.20 -1.36 2.29 2.15 0.39 -3.12 116.67 125.95 1wgj s ASP 147 Ca 0.05 -0.69 -0.04 0.00 0.43 0.00 0.00 52.55 52.30 1wgj s ASP 147 Cb -0.26 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 1wgj s ASP 147 CO 0.01 -0.59 0.79 -0.62 -0.17 0.00 0.00 175.17 174.58 1wgj n GLU 148 N 5.62 -5.20 -0.85 4.34 1.02 -1.26 -1.76 120.64 122.55 1wgj n GLU 148 Ca -0.07 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1wgj n GLU 148 Cb 0.47 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1wgj n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wgj n GLY 149 N -1.61 0.87 3.67 0.62 0.00 -1.26 -5.01 105.19 102.47 1wgj n GLY 149 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1wgj n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgj s GLU 150 N -0.20 2.61 0.07 1.61 2.02 -0.72 -4.64 118.70 119.45 1wgj s GLU 150 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 54.97 53.93 1wgj s GLU 150 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1wgj s GLU 150 CO 0.00 0.57 1.77 0.99 0.02 0.00 0.00 175.26 178.61 1wgj s THR 151 N -1.20 2.91 -0.41 3.63 2.01 0.54 -0.46 115.64 122.65 1wgj s THR 151 Ca 0.23 0.27 0.09 0.00 0.31 0.00 0.00 61.69 62.59 1wgj s THR 151 Cb -0.12 -3.18 0.30 0.00 0.01 0.00 0.00 72.50 69.52 1wgj s THR 151 CO 0.15 -0.01 0.80 -0.67 -0.69 0.00 0.00 174.62 174.20 1wgj n ASP 152 N 6.11 -0.66 -4.56 3.53 2.03 0.40 -2.55 116.55 120.85 1wgj n ASP 152 Ca 0.17 -3.16 -0.42 0.00 0.52 0.00 0.00 54.79 51.91 1wgj n ASP 152 Cb 0.40 0.37 0.01 0.00 -0.72 0.00 0.00 41.12 41.18 1wgj n ASP 152 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1wgj n TRP 153 N 0.75 0.71 -4.03 -0.67 7.02 -1.26 -3.79 117.44 116.17 1wgj n TRP 153 Ca 0.17 0.60 -0.31 0.00 -1.02 0.00 0.00 57.50 56.94 1wgj n TRP 153 Cb 0.64 -2.16 -0.15 0.00 -2.42 0.00 0.00 31.31 27.21 1wgj n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wgj s LYS 154 N -1.81 2.03 0.00 -0.99 -0.14 -0.20 -3.44 119.74 115.19 1wgj s LYS 154 Ca 0.63 -1.23 -0.27 0.00 -1.36 0.00 0.00 55.97 53.73 1wgj s LYS 154 Cb -0.60 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1wgj s LYS 154 CO 0.57 -0.58 0.86 0.08 -0.76 0.00 0.00 175.35 175.53 1wgj s VAL 155 N 1.20 4.85 -0.24 3.17 1.01 0.09 -0.89 120.40 129.58 1wgj s VAL 155 Ca -0.08 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 1wgj s VAL 155 Cb -0.20 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1wgj s VAL 155 CO -0.05 0.24 0.39 -0.63 0.00 0.00 0.00 175.10 175.05 1wgj s ILE 156 N 0.64 5.18 0.24 2.22 1.09 -0.39 -0.40 121.20 129.77 1wgj s ILE 156 Ca 0.45 0.64 0.01 0.00 -1.10 0.00 0.00 60.65 60.65 1wgj s ILE 156 Cb -0.20 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1wgj s ILE 156 CO 0.25 0.19 0.14 0.00 -0.10 0.00 0.00 174.94 175.42 1wgj s ALA 157 N 1.80 1.44 -0.07 9.38 0.00 0.00 -0.38 121.76 133.94 1wgj s ALA 157 Ca 0.17 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 1wgj s ALA 157 Cb -0.15 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.30 1wgj s ALA 157 CO 0.09 -0.56 0.17 -1.50 0.00 0.00 0.00 175.76 173.95 1wgj s ILE 158 N -3.94 -0.02 0.16 0.00 2.07 -0.89 -1.31 121.20 117.26 1wgj s ILE 158 Ca 0.39 0.09 -0.34 0.00 -1.41 0.00 0.00 60.65 59.38 1wgj s ILE 158 Cb 0.06 -0.26 -0.14 0.00 0.13 0.00 0.00 42.46 42.26 1wgj s ILE 158 CO 0.15 0.04 1.59 -0.67 -1.91 0.00 0.00 174.94 174.13 1wgj n ASP 159 N 3.62 3.15 0.32 4.50 -0.08 -1.26 -1.81 116.55 124.98 1wgj n ASP 159 Ca -0.19 1.08 0.20 0.00 -1.51 0.00 0.00 54.79 54.37 1wgj n ASP 159 Cb 0.55 -1.44 1.07 0.00 2.34 0.00 0.00 41.12 43.65 1wgj n ASP 159 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1wgj h ILE 160 N 3.63 0.14 -0.02 5.18 3.07 -1.43 -1.48 117.51 126.62 1wgj h ILE 160 Ca -0.45 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1wgj h ILE 160 Cb 1.25 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 1wgj h ILE 160 CO 0.89 0.01 0.00 0.59 -1.05 0.00 0.00 178.15 178.59 1wgj n ASN 161 N -3.27 0.71 -4.76 2.16 5.03 -1.26 -4.77 115.26 109.10 1wgj n ASN 161 Ca -0.02 -1.27 -0.40 0.00 0.87 0.00 0.00 54.58 53.76 1wgj n ASN 161 Cb 0.11 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.83 1wgj n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wgj s ASP 162 N -1.95 7.10 0.46 6.41 2.15 -0.56 -4.92 116.67 125.37 1wgj s ASP 162 Ca 0.42 2.32 0.22 0.00 0.43 0.00 0.00 52.55 55.93 1wgj s ASP 162 Cb 0.21 -2.63 1.22 0.00 -0.30 0.00 0.00 42.92 41.42 1wgj s ASP 162 CO 0.34 -0.26 1.89 -0.65 -0.17 0.00 0.00 175.17 176.32 1wgj h PRO 163 N 3.56 0.25 0.00 4.34 0.11 -1.90 -0.70 132.00 137.66 1wgj h PRO 163 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wgj h PRO 163 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wgj h PRO 163 CO 0.66 0.16 -0.45 1.28 -0.21 0.00 0.00 178.00 179.45 1wgj n LEU 164 N -4.43 0.49 -0.27 2.35 4.77 -1.26 -4.52 117.00 114.13 1wgj n LEU 164 Ca 0.17 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1wgj n LEU 164 Cb 0.73 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1wgj n LEU 164 CO 0.34 0.05 0.67 0.00 -1.33 0.00 0.00 177.39 177.11 1wgj h ALA 165 N 2.85 0.32 -0.02 -1.18 0.00 -1.40 0.33 119.26 120.15 1wgj h ALA 165 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1wgj h ALA 165 Cb 0.58 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wgj h ALA 165 CO 0.00 -0.51 0.05 -1.35 0.00 0.00 0.00 179.25 177.44 1wgj h PRO 166 N -0.05 0.00 -0.02 0.00 0.11 -1.79 -1.26 132.00 129.00 1wgj h PRO 166 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1wgj h PRO 166 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1wgj h PRO 166 CO -0.80 0.00 -0.14 1.63 -0.21 0.00 0.00 178.00 178.48 1wgj n LYS 167 N -3.48 1.46 -3.90 1.05 5.02 0.09 -4.77 118.16 113.63 1wgj n LYS 167 Ca -0.02 -0.98 -0.35 0.00 -2.02 0.00 0.00 58.31 54.93 1wgj n LYS 167 Cb 0.13 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1wgj n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wgj s LEU 168 N -2.22 3.87 0.00 -0.35 1.43 -0.48 -4.94 118.68 115.99 1wgj s LEU 168 Ca 0.29 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1wgj s LEU 168 Cb 0.20 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1wgj s LEU 168 CO 0.42 -0.25 0.00 0.59 0.23 0.00 0.00 176.35 177.34 1wgj n ASN 169 N 4.65 1.49 -3.67 2.29 3.02 -1.26 -4.93 115.26 116.85 1wgj n ASN 169 Ca -0.13 -0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 54.03 1wgj n ASN 169 Cb 0.44 0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 40.48 1wgj n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wgj s ASP 170 N -1.19 -0.39 0.52 6.41 -1.08 -1.26 -4.91 116.67 114.78 1wgj s ASP 170 Ca 0.00 -0.34 0.34 0.00 -0.52 0.00 0.00 52.55 52.04 1wgj s ASP 170 Cb 0.00 0.66 1.50 0.00 -1.46 0.00 0.00 42.92 43.62 1wgj s ASP 170 CO 0.00 -1.16 1.80 -0.29 0.52 0.00 0.00 175.17 176.04 1wgj h ILE 171 N 2.00 0.42 0.00 4.11 6.09 -1.27 0.74 117.51 129.60 1wgj h ILE 171 Ca -0.25 -0.02 -0.04 0.00 -1.37 0.00 0.00 64.86 63.18 1wgj h ILE 171 Cb 1.27 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 1wgj h ILE 171 CO 0.29 0.01 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.88 1wgj h GLU 172 N 0.05 0.00 0.00 2.19 3.07 -1.97 -2.15 114.58 115.78 1wgj h GLU 172 Ca 0.57 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.35 1wgj h GLU 172 Cb 2.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.08 1wgj h GLU 172 CO -0.05 0.17 -0.36 -0.44 -1.40 0.00 0.00 179.01 176.93 1wgj h ASP 173 N 0.00 0.00 -0.46 1.42 3.32 -1.21 -3.09 116.42 116.41 1wgj h ASP 173 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1wgj h ASP 173 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1wgj h ASP 173 CO 0.02 0.36 -0.02 0.58 -1.72 0.00 0.00 179.24 178.46 1wgj h VAL 174 N 0.00 1.26 0.00 -1.35 2.07 -1.48 -1.38 116.25 115.37 1wgj h VAL 174 Ca -0.00 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1wgj h VAL 174 Cb 0.88 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1wgj h VAL 174 CO 0.05 0.37 -0.29 -0.08 0.02 0.00 0.00 177.57 177.64 1wgj h GLU 175 N 0.66 0.00 -0.06 1.57 4.57 -1.62 0.41 114.58 120.11 1wgj h GLU 175 Ca 0.13 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1wgj h GLU 175 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1wgj h GLU 175 CO 0.03 0.29 -0.29 -0.22 -1.18 0.00 0.00 179.01 177.64 1wgj h LYS 176 N 0.00 0.30 0.00 1.92 3.64 -1.37 -2.96 116.57 118.10 1wgj h LYS 176 Ca -0.00 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1wgj h LYS 176 Cb 0.71 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1wgj h LYS 176 CO 0.04 0.89 -1.64 0.66 -2.27 0.00 0.00 179.45 177.13 1wgj n TYR 177 N -4.46 0.57 -3.06 1.91 4.01 -0.56 -4.50 117.16 111.07 1wgj n TYR 177 Ca -0.08 0.18 -0.24 0.00 -0.16 0.00 0.00 57.90 57.60 1wgj n TYR 177 Cb 0.48 -0.89 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 1wgj n TYR 177 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wgj n PHE 178 N -2.65 2.62 -1.68 -0.72 3.01 0.14 -5.09 117.46 113.10 1wgj n PHE 178 Ca -0.10 -3.94 -0.45 0.00 1.01 0.00 0.00 57.45 53.98 1wgj n PHE 178 Cb 0.76 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1wgj n PHE 178 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1wgj n PRO 179 N 0.05 2.15 0.00 -1.08 -0.04 -1.12 -1.58 135.00 133.38 1wgj n PRO 179 Ca 0.29 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1wgj n PRO 179 Cb 0.48 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1wgj n PRO 179 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgj n GLY 180 N 2.78 2.51 0.16 0.55 0.00 -1.26 -4.90 105.19 105.02 1wgj n GLY 180 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1wgj n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wgj h LEU 181 N 0.00 0.41 -1.14 0.99 5.85 -1.64 -0.39 115.31 119.39 1wgj h LEU 181 Ca 0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1wgj h LEU 181 Cb 0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1wgj h LEU 181 CO 0.00 0.39 0.11 -0.07 -0.34 0.00 0.00 178.44 178.53 1wgj h LEU 182 N 0.39 0.66 -0.29 2.25 3.38 -1.91 0.18 115.31 119.98 1wgj h LEU 182 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wgj h LEU 182 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wgj h LEU 182 CO -0.02 0.66 -0.01 -0.09 0.09 0.00 0.00 178.44 179.08 1wgj h ARG 183 N 0.69 0.52 0.00 1.13 2.43 -1.87 -1.56 114.38 115.73 1wgj h ARG 183 Ca 0.16 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1wgj h ARG 183 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1wgj h ARG 183 CO -0.00 0.68 -0.26 0.00 -1.51 0.00 0.00 179.97 178.87 1wgj h ALA 184 N 0.83 1.28 -0.10 2.80 0.00 -0.59 -1.70 119.26 121.79 1wgj h ALA 184 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1wgj h ALA 184 Cb 0.45 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wgj h ALA 184 CO 0.02 0.33 -0.68 1.15 0.00 0.00 0.00 179.25 180.06 1wgj h THR 185 N 0.00 1.33 0.09 0.00 2.02 -0.31 -1.76 112.91 114.27 1wgj h THR 185 Ca -0.00 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 1wgj h THR 185 Cb 0.57 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1wgj h THR 185 CO 0.03 0.60 -0.04 -1.13 0.37 0.00 0.00 175.52 175.35 1wgj h ASN 186 N 0.28 -0.10 -0.34 4.18 -0.73 -1.00 -2.79 115.58 115.08 1wgj h ASN 186 Ca -0.06 -0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.07 1wgj h ASN 186 Cb 1.33 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.91 1wgj h ASN 186 CO 0.14 0.02 0.10 -0.08 -0.37 0.00 0.00 177.43 177.24 1wgj h GLU 187 N -0.22 0.23 -0.37 6.67 4.81 -1.34 -2.71 114.58 121.66 1wgj h GLU 187 Ca -0.01 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1wgj h GLU 187 Cb 0.18 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1wgj h GLU 187 CO 0.02 0.15 -0.13 2.35 -0.73 0.00 0.00 179.01 180.68 1wgj h TRP 188 N 0.24 -0.29 0.00 0.92 7.01 -1.20 -1.73 115.95 120.90 1wgj h TRP 188 Ca 0.16 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1wgj h TRP 188 Cb 0.15 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1wgj h TRP 188 CO -0.16 -0.20 -0.04 0.74 -2.79 0.00 0.00 178.44 175.99 1wgj h PHE 189 N -0.05 0.00 -0.13 2.65 0.04 -1.40 -0.92 116.94 117.14 1wgj h PHE 189 Ca 0.18 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.80 1wgj h PHE 189 Cb 0.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1wgj h PHE 189 CO -0.36 0.04 -0.50 0.00 -0.60 0.00 0.00 178.31 176.88 1wgj h ARG 190 N 0.00 0.57 -0.00 1.51 3.08 -1.01 -3.39 114.38 115.13 1wgj h ARG 190 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1wgj h ARG 190 Cb 0.71 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1wgj h ARG 190 CO 0.01 1.06 -0.60 0.44 -1.07 0.00 0.00 179.97 179.81 1wgj n ILE 191 N -4.21 0.00 0.32 2.04 -5.35 -0.75 -1.01 119.36 110.40 1wgj n ILE 191 Ca -0.07 -0.20 0.21 0.00 -0.27 0.00 0.00 62.75 62.41 1wgj n ILE 191 Cb 0.60 1.06 1.10 0.00 -1.74 0.00 0.00 39.64 40.66 1wgj n ILE 191 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 1wgj h TYR 192 N 0.57 0.00 -0.13 4.28 -0.00 -1.36 -2.47 116.97 117.87 1wgj h TYR 192 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1wgj h TYR 192 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.15 1wgj h TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1wgj n LYS 193 N -2.96 1.71 -0.33 0.10 5.02 -1.26 -4.45 118.16 115.99 1wgj n LYS 193 Ca -0.03 -1.71 -0.04 0.00 -2.02 0.00 0.00 58.31 54.51 1wgj n LYS 193 Cb 0.12 -1.35 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 1wgj n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wgj h ILE 194 N 3.40 1.26 0.00 -0.18 2.04 -1.53 -0.52 117.51 121.98 1wgj h ILE 194 Ca 0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1wgj h ILE 194 Cb 0.76 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1wgj h ILE 194 CO 0.00 0.29 0.00 -0.65 0.00 0.00 0.00 178.15 177.79 1wgj h PRO 195 N 1.26 0.00 -0.01 2.37 0.11 -1.78 0.99 132.00 134.94 1wgj h PRO 195 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1wgj h PRO 195 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1wgj h PRO 195 CO -0.05 0.00 -0.21 -0.25 -0.21 0.00 0.00 178.00 177.28 1wgj n ASP 196 N -2.57 1.24 0.00 -2.05 8.00 -0.30 -4.92 116.55 115.95 1wgj n ASP 196 Ca -0.01 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1wgj n ASP 196 Cb 0.12 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1wgj n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgj n GLY 197 N 1.31 0.87 3.90 0.44 0.00 0.34 -5.08 105.19 106.98 1wgj n GLY 197 Ca 0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1wgj n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgj s LYS 198 N -0.74 3.67 0.83 1.61 -0.14 -0.60 -4.99 119.74 119.38 1wgj s LYS 198 Ca 0.00 0.04 -0.11 0.00 -1.36 0.00 0.00 55.97 54.54 1wgj s LYS 198 Cb 0.00 -2.70 0.09 0.00 -1.68 0.00 0.00 37.83 33.54 1wgj s LYS 198 CO 0.00 0.31 1.09 -1.25 -0.76 0.00 0.00 175.35 174.74 1wgj s PRO 199 N -3.14 1.82 0.53 -1.68 0.04 -1.26 -3.78 135.00 127.52 1wgj s PRO 199 Ca 0.44 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 1wgj s PRO 199 Cb -0.11 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1wgj s PRO 199 CO 0.26 -1.84 1.31 -2.00 0.04 0.00 0.00 177.00 174.77 1wgj s GLU 200 N -5.03 3.27 0.75 4.56 2.12 -1.26 -4.70 118.70 118.41 1wgj s GLU 200 Ca 0.62 2.13 -0.05 0.00 0.36 0.00 0.00 54.97 58.02 1wgj s GLU 200 Cb -0.16 -2.28 0.11 0.00 0.26 0.00 0.00 34.13 32.06 1wgj s GLU 200 CO 0.56 -1.06 1.04 -0.80 -0.54 0.00 0.00 175.26 174.46 1wgj s ASN 201 N -1.05 4.33 0.19 -1.70 0.01 -0.18 -4.95 114.94 111.58 1wgj s ASN 201 Ca 0.70 0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.88 1wgj s ASN 201 Cb -0.38 -0.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.77 1wgj s ASN 201 CO 0.45 -1.88 0.06 -1.10 -1.51 0.00 0.00 177.10 173.11 1wgj s GLN 202 N -5.28 1.16 0.01 -0.60 -0.21 -1.18 -4.74 119.66 108.82 1wgj s GLN 202 Ca 0.65 -1.59 0.06 0.00 0.02 0.00 0.00 55.36 54.50 1wgj s GLN 202 Cb -0.07 -0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.87 1wgj s GLN 202 CO 0.45 -0.25 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.14 1wgj s PHE 203 N -3.86 1.53 0.84 0.91 0.40 -1.26 -0.71 117.98 115.83 1wgj s PHE 203 Ca 0.30 -0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.18 1wgj s PHE 203 Cb 0.07 -0.95 0.10 0.00 0.51 0.00 0.00 43.02 42.75 1wgj s PHE 203 CO 0.07 0.02 1.20 0.00 0.70 0.00 0.00 175.22 177.21 1wgj s ALA 204 N -0.59 2.54 -1.53 5.36 0.00 -0.22 -3.74 121.76 123.57 1wgj s ALA 204 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1wgj s ALA 204 Cb -0.07 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1wgj s ALA 204 CO 0.00 -1.82 0.00 1.19 0.00 0.00 0.00 175.76 175.13 1wgj n PHE 205 N -3.41 -0.87 -2.87 0.00 3.72 -1.26 -1.29 117.46 111.48 1wgj n PHE 205 Ca 0.09 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.27 1wgj n PHE 205 Cb 0.61 -3.21 0.02 0.00 -0.94 0.00 0.00 39.48 35.95 1wgj n PHE 205 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wgj n SER 206 N -1.55 -5.70 0.00 4.37 7.64 -1.25 -1.28 113.62 115.86 1wgj n SER 206 Ca -0.19 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1wgj n SER 206 Cb 0.61 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.15 1wgj n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgj n GLY 207 N -1.32 0.82 3.77 0.23 0.00 -0.41 -5.00 105.19 103.28 1wgj n GLY 207 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1wgj n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgj s GLU 208 N -0.05 4.17 -0.29 1.61 2.12 -0.40 -4.96 118.70 120.89 1wgj s GLU 208 Ca 0.00 2.49 -0.17 0.00 0.36 0.00 0.00 54.97 57.65 1wgj s GLU 208 Cb 0.00 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 1wgj s GLU 208 CO 0.00 -0.47 0.48 0.00 -0.54 0.00 0.00 175.26 174.73 1wgj s ALA 209 N -0.93 3.55 0.60 6.30 0.00 -1.26 -4.54 121.76 125.47 1wgj s ALA 209 Ca 0.54 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1wgj s ALA 209 Cb -0.45 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1wgj s ALA 209 CO 0.58 -0.86 1.04 0.15 0.00 0.00 0.00 175.76 176.67 1wgj s LYS 210 N 2.28 3.39 1.11 0.00 -0.14 0.47 -4.83 119.74 122.03 1wgj s LYS 210 Ca 0.19 1.07 -0.18 0.00 -1.36 0.00 0.00 55.97 55.69 1wgj s LYS 210 Cb -0.16 -2.05 0.26 0.00 -1.68 0.00 0.00 37.83 34.20 1wgj s LYS 210 CO 0.11 -0.74 1.20 0.54 -0.76 0.00 0.00 175.35 175.70 1wgj s ASN 211 N -3.13 1.73 0.17 2.83 2.20 -1.26 -1.43 114.94 116.04 1wgj s ASN 211 Ca 0.61 0.44 -0.14 0.00 -0.94 0.00 0.00 52.86 52.83 1wgj s ASN 211 Cb -0.14 -0.57 0.11 0.00 -2.00 0.00 0.00 41.25 38.65 1wgj s ASN 211 CO 0.40 -3.61 1.77 0.50 -2.94 0.00 0.00 177.10 173.22 1wgj h LYS 212 N -2.23 0.38 -0.44 3.55 3.64 -1.82 -0.72 116.57 118.92 1wgj h LYS 212 Ca -0.44 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1wgj h LYS 212 Cb 1.26 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1wgj h LYS 212 CO 0.34 0.25 0.25 -0.22 -2.27 0.00 0.00 179.45 177.80 1wgj h LYS 213 N 0.39 0.50 -0.38 1.90 1.63 -1.93 0.12 116.57 118.79 1wgj h LYS 213 Ca 0.20 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1wgj h LYS 213 Cb 0.15 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1wgj h LYS 213 CO -0.17 0.33 0.24 -0.92 -3.45 0.00 0.00 179.45 175.48 1wgj h TYR 214 N 0.51 0.50 -0.54 1.91 5.03 -1.82 -2.03 116.97 120.54 1wgj h TYR 214 Ca 0.17 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.56 1wgj h TYR 214 Cb 0.02 -0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.07 1wgj h TYR 214 CO -0.07 0.34 0.21 0.00 -1.32 0.00 0.00 178.16 177.32 1wgj h ALA 215 N 1.11 0.68 -0.75 1.82 0.00 -0.46 -2.12 119.26 119.54 1wgj h ALA 215 Ca 0.14 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1wgj h ALA 215 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1wgj h ALA 215 CO -0.03 -0.18 0.48 -0.07 0.00 0.00 0.00 179.25 179.45 1wgj h LEU 216 N 0.40 0.82 -0.56 0.00 3.38 -0.31 -1.14 115.31 117.90 1wgj h LEU 216 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wgj h LEU 216 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1wgj h LEU 216 CO -0.25 0.58 0.35 0.44 0.09 0.00 0.00 178.44 179.65 1wgj h ASP 217 N 0.96 0.65 -0.38 -0.43 3.32 -0.74 -0.77 116.42 119.04 1wgj h ASP 217 Ca 0.29 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1wgj h ASP 217 Cb -0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1wgj h ASP 217 CO -0.09 0.49 -0.00 0.40 -1.72 0.00 0.00 179.24 178.32 1wgj h ILE 218 N 0.75 1.26 -0.18 0.35 1.08 -1.13 -1.07 117.51 118.57 1wgj h ILE 218 Ca 0.20 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1wgj h ILE 218 Cb -0.05 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1wgj h ILE 218 CO -0.04 0.33 0.04 0.40 -0.69 0.00 0.00 178.15 178.19 1wgj h ILE 219 N 0.49 0.93 -0.76 -0.67 2.04 -0.91 -0.62 117.51 118.00 1wgj h ILE 219 Ca 0.11 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1wgj h ILE 219 Cb 0.47 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1wgj h ILE 219 CO 0.02 0.02 0.34 0.11 0.00 0.00 0.00 178.15 178.64 1wgj h LYS 220 N 0.12 1.10 -0.34 2.37 1.57 -1.06 0.01 116.57 120.34 1wgj h LYS 220 Ca 0.08 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1wgj h LYS 220 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1wgj h LYS 220 CO -0.10 0.86 0.22 1.49 -0.57 0.00 0.00 179.45 181.35 1wgj h GLU 221 N 1.09 0.43 0.00 3.15 4.81 -0.65 0.59 114.58 124.01 1wgj h GLU 221 Ca 0.26 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1wgj h GLU 221 Cb 0.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1wgj h GLU 221 CO -0.03 0.28 -0.33 1.79 -0.73 0.00 0.00 179.01 180.00 1wgj h THR 222 N 0.44 0.88 -0.32 0.32 1.35 -0.59 -1.78 112.91 113.21 1wgj h THR 222 Ca 0.13 -1.31 -0.08 0.00 -0.55 0.00 0.00 66.41 64.60 1wgj h THR 222 Cb -0.04 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1wgj h THR 222 CO -0.04 0.32 -0.10 -0.74 -0.25 0.00 0.00 175.52 174.71 1wgj h HIS 223 N 0.00 0.72 -0.29 4.73 -0.00 -0.19 -1.04 115.15 119.07 1wgj h HIS 223 Ca -0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.16 1wgj h HIS 223 Cb 0.76 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1wgj h HIS 223 CO 0.00 0.82 -0.00 -0.44 -0.00 0.00 0.00 177.93 178.31 1wgj h ASP 224 N 0.40 0.42 -0.36 3.26 3.32 -0.31 -0.90 116.42 122.25 1wgj h ASP 224 Ca 0.08 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1wgj h ASP 224 Cb 0.61 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1wgj h ASP 224 CO 0.04 0.49 -0.01 0.28 -1.72 0.00 0.00 179.24 178.32 1wgj h SER 225 N 0.43 0.71 -0.38 6.45 0.02 -1.12 -2.56 113.55 117.10 1wgj h SER 225 Ca 0.10 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 1wgj h SER 225 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1wgj h SER 225 CO 0.01 0.78 -0.31 -0.25 -1.14 0.00 0.00 176.83 175.92 1wgj h TRP 226 N 0.69 1.07 -0.61 3.45 7.01 -0.66 -1.92 115.95 124.98 1wgj h TRP 226 Ca 0.14 -0.29 0.07 0.00 2.11 0.00 0.00 58.89 60.92 1wgj h TRP 226 Cb 0.44 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.20 1wgj h TRP 226 CO 0.02 1.10 0.30 0.87 -2.79 0.00 0.00 178.44 177.94 1wgj h LYS 227 N 0.77 0.52 0.07 2.65 1.57 -0.90 0.12 116.57 121.37 1wgj h LYS 227 Ca 0.08 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1wgj h LYS 227 Cb 0.89 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1wgj h LYS 227 CO 0.08 0.35 -0.04 1.96 -0.57 0.00 0.00 179.45 181.23 1wgj h GLN 228 N 0.54 -0.10 -0.03 3.15 1.08 -1.32 -2.40 115.11 116.03 1wgj h GLN 228 Ca 0.29 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.53 1wgj h GLN 228 Cb 0.26 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 1wgj h GLN 228 CO -0.23 -0.01 -0.18 1.25 -0.95 0.00 0.00 178.83 178.71 1wgj h LEU 229 N -0.16 -0.53 -1.63 1.46 5.85 -0.78 -1.07 115.31 118.45 1wgj h LEU 229 Ca -0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1wgj h LEU 229 Cb 0.13 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1wgj h LEU 229 CO 0.02 -0.24 -0.18 -0.29 -0.34 0.00 0.00 178.44 177.41 1wgj h ILE 230 N -0.28 0.65 0.00 4.05 6.09 -0.79 -1.19 117.51 126.05 1wgj h ILE 230 Ca 0.07 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1wgj h ILE 230 Cb 0.36 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1wgj h ILE 230 CO -0.19 0.18 0.00 0.00 -3.07 0.00 0.00 178.15 175.06 1wgj h ALA 231 N 1.82 1.00 0.00 0.18 0.00 -1.07 -3.41 119.26 117.78 1wgj h ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wgj h ALA 231 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wgj h ALA 231 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1wgj n GLY 232 N 0.83 0.93 0.76 0.00 0.00 -0.45 -4.73 105.19 102.53 1wgj n GLY 232 Ca 0.04 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1wgj n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wgj n LYS 233 N -1.11 2.87 -2.54 1.61 5.02 -0.44 -4.99 118.16 118.57 1wgj n LYS 233 Ca 0.00 -2.17 -0.36 0.00 -2.02 0.00 0.00 58.31 53.76 1wgj n LYS 233 Cb 0.30 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1wgj n LYS 233 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wgj s SER 234 N -1.02 6.73 0.43 4.39 0.15 -1.25 -4.87 113.70 118.26 1wgj s SER 234 Ca 0.28 2.03 0.23 0.00 0.70 0.00 0.00 55.95 59.18 1wgj s SER 234 Cb 0.15 -2.58 0.90 0.00 -1.71 0.00 0.00 66.02 62.78 1wgj s SER 234 CO 0.18 -0.51 1.82 0.77 1.20 0.00 0.00 173.24 176.70 1wgj h SER 235 N 2.42 0.00 -1.27 5.45 4.64 -1.97 -3.41 113.55 119.41 1wgj h SER 235 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1wgj h SER 235 Cb 1.21 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.07 1wgj h SER 235 CO 0.62 0.25 -0.40 -0.62 -0.87 0.00 0.00 176.83 175.81 1wgj s ASP 236 N -6.26 -0.89 0.00 4.97 2.15 -1.26 -5.03 116.67 110.35 1wgj s ASP 236 Ca 0.00 0.22 0.28 0.00 0.43 0.00 0.00 52.55 53.49 1wgj s ASP 236 Cb 0.11 1.75 1.60 0.00 -0.30 0.00 0.00 42.92 46.08 1wgj s ASP 236 CO 0.65 -0.30 2.04 -1.54 -0.17 0.00 0.00 175.17 175.84 1wgj n SER 237 N 5.40 0.21 -2.28 -0.34 3.41 -1.26 -4.88 113.62 113.89 1wgj n SER 237 Ca 0.02 -1.17 -0.15 0.00 -0.26 0.00 0.00 58.87 57.31 1wgj n SER 237 Cb 0.52 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1wgj n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wgj n LYS 238 N -0.79 -1.94 -1.00 4.33 4.76 -1.26 -1.32 118.16 120.94 1wgj n LYS 238 Ca 0.21 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 1wgj n LYS 238 Cb 0.13 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 1wgj n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgj n GLY 239 N -0.78 0.44 3.73 0.72 0.00 -1.26 -4.99 105.19 103.05 1wgj n GLY 239 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1wgj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgj s ILE 240 N -1.90 2.60 -0.29 -0.61 1.01 -0.44 -4.62 121.20 116.97 1wgj s ILE 240 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 1wgj s ILE 240 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 39.18 1wgj s ILE 240 CO 0.00 0.06 1.14 -0.62 0.00 0.00 0.00 174.94 175.51 1wgj s ASP 241 N 0.74 6.91 -0.02 3.58 -1.08 0.43 -4.90 116.67 122.32 1wgj s ASP 241 Ca 0.65 1.20 0.16 0.00 -0.52 0.00 0.00 52.55 54.04 1wgj s ASP 241 Cb -0.43 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 38.99 1wgj s ASP 241 CO 0.38 -0.88 1.41 0.18 0.52 0.00 0.00 175.17 176.79 1wgj n LEU 242 N 6.91 3.18 -4.75 -1.34 4.77 -1.26 -4.89 117.00 119.61 1wgj n LEU 242 Ca 0.13 -1.59 -0.41 0.00 -0.03 0.00 0.00 56.01 54.10 1wgj n LEU 242 Cb 0.47 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1wgj n LEU 242 CO 0.59 0.72 1.10 -0.89 -1.33 0.00 0.00 177.39 177.57 1wgj s THR 243 N -1.39 2.62 0.09 -5.08 2.01 -1.26 -4.69 115.64 107.93 1wgj s THR 243 Ca 0.38 0.53 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 1wgj s THR 243 Cb 0.21 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 1wgj s THR 243 CO 0.24 0.09 0.19 0.54 -0.69 0.00 0.00 174.62 174.98 1wgj s ASN 244 N 0.29 0.12 0.00 3.53 2.20 -1.19 -4.53 114.94 115.37 1wgj s ASN 244 Ca 0.59 -0.66 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 1wgj s ASN 244 Cb -0.42 0.34 0.00 0.00 -2.00 0.00 0.00 41.25 39.17 1wgj s ASN 244 CO 0.45 -0.73 0.92 1.33 -2.94 0.00 0.00 177.10 176.13 1wgj n VAL 245 N -0.06 0.84 -0.36 3.54 0.24 -1.26 -0.58 118.33 120.68 1wgj n VAL 245 Ca -0.15 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1wgj n VAL 245 Cb 0.62 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1wgj n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wgj n THR 246 N -0.42 0.00 -3.94 3.34 -2.24 -1.26 -4.81 114.28 104.94 1wgj n THR 246 Ca 0.00 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1wgj n THR 246 Cb 0.26 1.36 -0.14 0.00 -2.10 0.00 0.00 70.33 69.71 1wgj n THR 246 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wgj s LEU 247 N -0.03 4.25 0.45 3.22 1.43 -1.26 -4.93 118.68 121.81 1wgj s LEU 247 Ca 0.00 -3.01 0.29 0.00 -1.03 0.00 0.00 54.13 50.37 1wgj s LEU 247 Cb 0.00 -1.61 0.98 0.00 0.03 0.00 0.00 46.19 45.59 1wgj s LEU 247 CO 0.00 -0.23 1.82 1.55 0.23 0.00 0.00 176.35 179.72 1wgj h PRO 248 N 6.49 0.00 0.00 1.29 0.13 -1.95 -2.70 132.00 135.25 1wgj h PRO 248 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wgj h PRO 248 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wgj h PRO 248 CO 0.68 0.00 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.04 1wgj n ASP 249 N -2.89 0.61 -4.89 1.44 5.75 -1.26 -4.85 116.55 110.47 1wgj n ASP 249 Ca 0.02 0.55 -0.30 0.00 -0.01 0.00 0.00 54.79 55.04 1wgj n ASP 249 Cb 0.37 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.71 1wgj n ASP 249 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1wgj s THR 250 N -3.08 4.94 0.11 2.12 -4.23 -1.02 -5.00 115.64 109.48 1wgj s THR 250 Ca 0.11 0.34 0.34 0.00 -1.18 0.00 0.00 61.69 61.30 1wgj s THR 250 Cb 0.14 -3.68 0.38 0.00 1.34 0.00 0.00 72.50 70.68 1wgj s THR 250 CO 0.58 -0.23 2.00 1.55 -0.54 0.00 0.00 174.62 177.99 1wgj h PRO 251 N 2.03 0.00 -0.59 3.99 0.13 -1.85 -3.01 132.00 132.70 1wgj h PRO 251 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wgj h PRO 251 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wgj h PRO 251 CO 0.67 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.69 1wgj n THR 252 N -2.96 1.41 -1.99 1.56 -2.24 -1.26 -4.97 114.28 103.83 1wgj n THR 252 Ca 0.00 -1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 60.23 1wgj n THR 252 Cb 0.25 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1wgj n THR 252 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wgj s TYR 253 N -1.45 2.99 -0.27 4.78 5.04 -1.14 -3.18 117.35 124.13 1wgj s TYR 253 Ca 0.44 1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1wgj s TYR 253 Cb 0.26 -3.84 0.15 0.00 0.35 0.00 0.00 41.96 38.89 1wgj s TYR 253 CO 0.25 -2.72 0.42 0.45 -1.34 0.00 0.00 175.55 172.62 1wgj s SER 254 N 0.34 0.03 0.38 4.32 0.15 0.25 -4.92 113.70 114.24 1wgj s SER 254 Ca 0.59 0.06 0.06 0.00 0.70 0.00 0.00 55.95 57.37 1wgj s SER 254 Cb -0.42 1.27 0.74 0.00 -1.71 0.00 0.00 66.02 65.90 1wgj s SER 254 CO 0.44 -0.32 1.97 0.07 1.20 0.00 0.00 173.24 176.60 1wgj h LYS 255 N 8.15 0.51 0.00 5.44 -0.00 -1.87 -2.86 116.57 125.93 1wgj h LYS 255 Ca -0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.43 1wgj h LYS 255 Cb 1.14 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1wgj h LYS 255 CO 0.26 0.44 0.00 0.00 -0.00 0.00 0.00 179.45 180.16 1wgj h ALA 256 N 1.63 1.00 -0.63 0.07 0.00 -1.95 -3.20 119.26 116.18 1wgj h ALA 256 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1wgj h ALA 256 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wgj h ALA 256 CO -0.01 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.66 1wgj h ALA 257 N 2.08 1.86 -0.59 0.00 0.00 -1.88 -2.25 119.26 118.48 1wgj h ALA 257 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wgj h ALA 257 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wgj h ALA 257 CO 0.00 0.03 0.37 0.77 0.00 0.00 0.00 179.25 180.42 1wgj h SER 258 N 0.56 0.69 0.75 0.00 0.02 -1.78 -2.28 113.55 111.51 1wgj h SER 258 Ca 0.28 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1wgj h SER 258 Cb 0.37 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1wgj h SER 258 CO -0.09 0.53 0.00 0.44 -1.14 0.00 0.00 176.83 176.57 1wgj h ASP 259 N 0.80 0.00 1.01 3.07 3.32 -1.63 -2.78 116.42 120.20 1wgj h ASP 259 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1wgj h ASP 259 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1wgj h ASP 259 CO -0.04 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.31 1wgj n ALA 260 N -2.01 2.61 -2.45 3.45 0.00 -0.86 -4.84 120.51 116.40 1wgj n ALA 260 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1wgj n ALA 260 Cb 0.24 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1wgj n ALA 260 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wgj s ILE 261 N -3.04 4.20 0.82 0.00 -1.09 -1.05 -5.02 121.20 116.02 1wgj s ILE 261 Ca 0.12 1.60 -0.11 0.00 -2.23 0.00 0.00 60.65 60.03 1wgj s ILE 261 Cb 0.16 -4.03 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 1wgj s ILE 261 CO 0.60 0.14 1.13 -2.16 -1.23 0.00 0.00 174.94 173.41 1wgj s PRO 262 N 0.93 1.74 0.78 2.79 0.04 -1.26 -5.01 135.00 135.01 1wgj s PRO 262 Ca 0.56 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1wgj s PRO 262 Cb -0.28 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1wgj s PRO 262 CO 0.29 -2.07 1.09 -1.25 0.04 0.00 0.00 177.00 175.10 1wgj s PRO 263 N -4.66 2.18 0.56 0.56 0.04 -1.26 -4.99 135.00 127.43 1wgj s PRO 263 Ca 0.65 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 1wgj s PRO 263 Cb -0.21 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1wgj s PRO 263 CO 0.55 -1.65 1.34 0.00 0.04 0.00 0.00 177.00 177.29 1wgj n ALA 264 N -3.51 1.52 -2.85 8.56 0.00 -1.26 -4.87 120.51 118.10 1wgj n ALA 264 Ca 0.08 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 1wgj n ALA 264 Cb 0.54 -2.35 0.04 0.00 0.00 0.00 0.00 19.45 17.68 1wgj n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wgj n SER 265 N -1.07 -0.21 -4.65 0.00 3.41 0.34 -4.99 113.62 106.45 1wgj n SER 265 Ca 0.11 -2.97 -0.42 0.00 -0.26 0.00 0.00 58.87 55.33 1wgj n SER 265 Cb 0.45 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 1wgj n SER 265 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wgj s LEU 266 N -2.74 4.20 0.29 1.04 0.20 -1.20 -1.65 118.68 118.83 1wgj s LEU 266 Ca 0.29 2.31 0.11 0.00 0.69 0.00 0.00 54.13 57.53 1wgj s LEU 266 Cb 0.38 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.56 1wgj s LEU 266 CO -0.04 -1.17 -0.10 -0.54 -0.29 0.00 0.00 176.35 174.21 1wgj s LYS 267 N 4.63 1.93 0.46 1.98 1.02 -1.16 -4.97 119.74 123.63 1wgj s LYS 267 Ca 0.84 -1.69 -0.23 0.00 0.02 0.00 0.00 55.97 54.91 1wgj s LYS 267 Cb -0.36 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1wgj s LYS 267 CO 0.36 0.29 1.21 0.00 -0.92 0.00 0.00 175.35 176.29 1wgj s ALA 268 N -2.47 3.00 0.34 5.17 0.00 -1.26 -4.42 121.76 122.12 1wgj s ALA 268 Ca 0.31 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 1wgj s ALA 268 Cb -0.04 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1wgj s ALA 268 CO 0.17 -0.79 0.63 -0.25 0.00 0.00 0.00 175.76 175.53 1wgj n ASP 269 N -0.45 -0.53 -4.89 0.00 9.92 -1.26 -4.41 116.55 114.92 1wgj n ASP 269 Ca 0.07 1.02 -0.29 0.00 -0.53 0.00 0.00 54.79 55.06 1wgj n ASP 269 Cb 0.47 -1.11 -0.02 0.00 -0.64 0.00 0.00 41.12 39.82 1wgj n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgj s ALA 270 N -1.28 3.47 0.61 2.24 0.00 0.36 -4.86 121.76 122.29 1wgj s ALA 270 Ca 0.62 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1wgj s ALA 270 Cb -0.70 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1wgj s ALA 270 CO 0.58 -0.01 1.09 -2.14 0.00 0.00 0.00 175.76 175.29 1wgj s PRO 271 N -3.98 3.10 -0.11 0.00 0.02 -1.26 -4.76 135.00 128.02 1wgj s PRO 271 Ca 0.47 1.37 -0.00 0.00 0.02 0.00 0.00 61.00 62.86 1wgj s PRO 271 Cb -0.10 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1wgj s PRO 271 CO 0.34 -1.00 -0.09 0.42 -0.33 0.00 0.00 177.00 176.34 1wgj s ILE 272 N -2.26 3.50 0.23 2.83 1.01 -1.26 -5.02 121.20 120.22 1wgj s ILE 272 Ca 0.67 -0.52 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1wgj s ILE 272 Cb -0.19 -2.47 -0.14 0.00 0.01 0.00 0.00 42.46 39.67 1wgj s ILE 272 CO 0.37 0.55 1.28 -0.67 0.00 0.00 0.00 174.94 176.47 1wgj n ASP 273 N 2.98 2.14 0.31 3.58 2.03 -1.26 -4.84 116.55 121.49 1wgj n ASP 273 Ca -0.18 1.15 0.19 0.00 0.52 0.00 0.00 54.79 56.47 1wgj n ASP 273 Cb 0.53 -1.35 0.97 0.00 -0.72 0.00 0.00 41.12 40.55 1wgj n ASP 273 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1wgj h LYS 274 N 3.66 0.00 0.00 -0.67 1.57 -2.04 -1.33 116.57 117.76 1wgj h LYS 274 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1wgj h LYS 274 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1wgj h LYS 274 CO 0.72 0.00 -0.05 0.66 -0.57 0.00 0.00 179.45 180.21 1wgj h SER 275 N 0.00 0.00 0.56 0.86 4.64 -2.02 -1.02 113.55 116.57 1wgj h SER 275 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wgj h SER 275 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1wgj h SER 275 CO -0.00 0.05 0.00 0.40 -0.87 0.00 0.00 176.83 176.41 1wgj h ILE 276 N 0.00 0.00 -0.56 0.95 1.08 -1.59 -2.78 117.51 114.61 1wgj h ILE 276 Ca -0.00 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1wgj h ILE 276 Cb 0.13 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1wgj h ILE 276 CO 0.01 0.00 0.16 0.44 -0.69 0.00 0.00 178.15 178.07 1wgj h ASP 277 N 0.00 0.79 -1.52 1.72 5.19 -1.39 -3.42 116.42 117.79 1wgj h ASP 277 Ca 0.00 -0.13 -0.70 0.00 -0.62 0.00 0.00 57.03 55.58 1wgj h ASP 277 Cb 0.28 -0.20 0.06 0.00 0.18 0.00 0.00 39.33 39.64 1wgj h ASP 277 CO 0.00 0.75 0.31 1.17 -3.12 0.00 0.00 179.24 178.35 1wgj n LYS 278 N -4.29 0.83 -3.63 3.56 4.81 -1.05 -4.92 118.16 113.47 1wgj n LYS 278 Ca 0.04 0.30 -0.38 0.00 -0.87 0.00 0.00 58.31 57.40 1wgj n LYS 278 Cb 0.21 -1.87 -0.11 0.00 0.02 0.00 0.00 35.03 33.27 1wgj n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1wgj s TRP 279 N 0.25 3.18 -0.06 5.64 -0.11 -1.26 -3.84 118.94 122.74 1wgj s TRP 279 Ca 0.84 -0.08 -0.18 0.00 1.22 0.00 0.00 56.10 57.90 1wgj s TRP 279 Cb -1.02 -2.35 -0.05 0.00 -1.50 0.00 0.00 33.47 28.55 1wgj s TRP 279 CO 0.50 -0.24 0.49 -0.06 -4.62 0.00 0.00 176.95 173.02 1wgj s PHE 280 N 1.71 3.61 -0.96 5.86 0.40 0.43 -4.89 117.98 124.13 1wgj s PHE 280 Ca 0.07 1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 57.36 1wgj s PHE 280 Cb -0.16 -2.51 0.25 0.00 0.51 0.00 0.00 43.02 41.11 1wgj s PHE 280 CO 0.09 0.32 0.95 1.19 0.70 0.00 0.00 175.22 178.47 1wgj n PHE 281 N 3.00 4.25 0.71 0.36 3.01 -1.26 -1.01 117.46 126.53 1wgj n PHE 281 Ca -0.09 -3.91 0.09 0.00 1.01 0.00 0.00 57.45 54.55 1wgj n PHE 281 Cb 0.52 -1.26 0.07 0.00 -0.01 0.00 0.00 39.48 38.79 1wgj n PHE 281 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21