#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwv s GLN 2 N 0.00 4.46 0.19 -1.24 0.74 -1.26 -1.24 119.66 121.32 1xwv s GLN 2 Ca 0.00 2.07 0.08 0.00 0.05 0.00 0.00 55.36 57.56 1xwv s GLN 2 Cb 0.00 -3.11 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 1xwv s GLN 2 CO 0.00 -0.04 -0.16 0.14 -0.55 0.00 0.00 175.29 174.68 1xwv s VAL 3 N -1.14 1.78 -0.04 1.34 -7.23 -0.34 -0.37 120.40 114.40 1xwv s VAL 3 Ca 0.47 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 1xwv s VAL 3 Cb -0.37 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1xwv s VAL 3 CO 0.49 -0.50 0.91 -1.81 -0.31 0.00 0.00 175.10 173.87 1xwv s ASP 4 N -3.12 7.24 0.09 4.85 1.01 0.30 -4.57 116.67 122.48 1xwv s ASP 4 Ca 0.20 1.50 0.02 0.00 0.71 0.00 0.00 52.55 54.98 1xwv s ASP 4 Cb -0.02 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1xwv s ASP 4 CO 0.07 -0.26 -0.06 0.68 0.21 0.00 0.00 175.17 175.81 1xwv s VAL 5 N 1.15 0.66 -0.17 -1.27 -7.23 -1.26 -4.79 120.40 107.49 1xwv s VAL 5 Ca 0.47 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1xwv s VAL 5 Cb -0.20 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1xwv s VAL 5 CO 0.23 -0.85 0.07 -0.54 -0.31 0.00 0.00 175.10 173.70 1xwv s LYS 6 N -3.72 3.86 -0.09 4.82 -0.14 0.05 -4.92 119.74 119.60 1xwv s LYS 6 Ca 0.10 -0.32 -0.23 0.00 -1.36 0.00 0.00 55.97 54.16 1xwv s LYS 6 Cb 0.05 -3.19 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 1xwv s LYS 6 CO -0.05 0.36 0.71 0.34 -0.76 0.00 0.00 175.35 175.96 1xwv s ASP 7 N 0.13 6.96 -0.26 2.83 -1.08 -1.26 0.38 116.67 124.37 1xwv s ASP 7 Ca 0.05 1.16 0.11 0.00 -0.52 0.00 0.00 52.55 53.35 1xwv s ASP 7 Cb -0.12 -2.41 0.49 0.00 -1.46 0.00 0.00 42.92 39.42 1xwv s ASP 7 CO 0.00 -0.17 1.42 0.00 0.52 0.00 0.00 175.17 176.95 1xwv n ALA 9 N -1.02 0.00 -2.07 0.00 0.00 -1.26 -4.81 120.51 111.35 1xwv n ALA 9 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1xwv n ALA 9 Cb 0.97 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.45 1xwv n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xwv n ASN 10 N 0.00 4.33 -1.66 0.00 4.05 -1.26 -4.95 115.26 115.77 1xwv n ASN 10 Ca 0.00 -3.58 -0.16 0.00 0.45 0.00 0.00 54.58 51.29 1xwv n ASN 10 Cb 0.00 -0.37 -0.02 0.00 1.23 0.00 0.00 39.78 40.62 1xwv n ASN 10 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1xwv n ASN 11 N -0.72 -4.76 0.15 1.20 3.02 -1.26 -4.90 115.26 107.99 1xwv n ASN 11 Ca 0.38 0.08 0.02 0.00 -0.03 0.00 0.00 54.58 55.03 1xwv n ASN 11 Cb 0.93 -3.83 0.37 0.00 -0.61 0.00 0.00 39.78 36.64 1xwv n ASN 11 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1xwv h GLU 12 N 0.00 0.13 -6.40 3.52 3.07 -1.87 -3.42 114.58 109.61 1xwv h GLU 12 Ca -0.36 -0.04 -0.54 0.00 -0.50 0.00 0.00 59.36 57.92 1xwv h GLU 12 Cb 1.22 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1xwv h GLU 12 CO 0.45 0.38 0.59 0.42 -1.40 0.00 0.00 179.01 179.45 1xwv s ILE 13 N -4.46 4.27 -0.19 3.13 -1.09 -1.26 -1.20 121.20 120.40 1xwv s ILE 13 Ca -0.04 1.61 0.18 0.00 -2.23 0.00 0.00 60.65 60.17 1xwv s ILE 13 Cb 0.15 -4.04 -0.25 0.00 -1.58 0.00 0.00 42.46 36.74 1xwv s ILE 13 CO 0.73 0.07 0.09 0.29 -1.23 0.00 0.00 174.94 174.89 1xwv n LYS 14 N 4.48 0.69 -3.63 2.79 4.76 0.13 -4.96 118.16 122.42 1xwv n LYS 14 Ca 0.09 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1xwv n LYS 14 Cb 0.47 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.07 1xwv n LYS 14 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xwv s LYS 15 N -2.53 0.81 -0.04 1.97 2.20 -1.15 -4.97 119.74 116.03 1xwv s LYS 15 Ca -0.10 1.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 1xwv s LYS 15 Cb 0.06 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1xwv s LYS 15 CO 0.83 -0.10 -0.14 0.08 -0.36 0.00 0.00 175.35 175.66 1xwv s VAL 16 N 0.52 1.19 0.04 4.02 1.01 -1.26 -0.81 120.40 125.11 1xwv s VAL 16 Ca -0.01 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1xwv s VAL 16 Cb -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1xwv s VAL 16 CO -0.01 0.36 -0.19 -0.04 0.00 0.00 0.00 175.10 175.21 1xwv s MET 17 N 0.24 1.30 -0.05 2.72 -1.94 0.14 -1.20 119.30 120.52 1xwv s MET 17 Ca -0.07 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1xwv s MET 17 Cb -0.12 -1.38 0.03 0.00 2.01 0.00 0.00 34.83 35.37 1xwv s MET 17 CO 0.02 0.35 0.03 0.08 -0.01 0.00 0.00 175.02 175.49 1xwv s VAL 18 N -0.78 0.15 0.03 -6.03 1.01 -0.37 -0.52 120.40 113.89 1xwv s VAL 18 Ca 0.06 0.24 -0.33 0.00 0.00 0.00 0.00 61.98 61.96 1xwv s VAL 18 Cb -0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 36.38 35.84 1xwv s VAL 18 CO 0.01 0.21 1.82 0.47 0.00 0.00 0.00 175.10 177.61 1xwv n ASP 19 N 5.06 3.62 0.00 3.32 9.92 -0.13 -1.54 116.55 136.79 1xwv n ASP 19 Ca -0.08 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1xwv n ASP 19 Cb 0.50 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 1xwv n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xwv n GLY 20 N 4.17 1.07 3.53 0.44 0.00 -1.26 -4.74 105.19 108.39 1xwv n GLY 20 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1xwv n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwv s HIS 22 N -2.47 -0.31 0.00 0.00 2.46 -1.26 -0.80 115.29 112.91 1xwv s HIS 22 Ca 0.31 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.58 1xwv s HIS 22 Cb -0.04 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.47 1xwv s HIS 22 CO 0.17 -0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.65 1xwv n GLY 23 N 3.84 2.33 1.48 1.59 0.00 0.50 -1.15 105.19 113.77 1xwv n GLY 23 Ca -0.21 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1xwv n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xwv n SER 24 N 1.94 4.50 -4.75 1.61 3.41 -1.26 -0.53 113.62 118.53 1xwv n SER 24 Ca 0.00 -2.34 -0.32 0.00 -0.26 0.00 0.00 58.87 55.95 1xwv n SER 24 Cb 0.00 -0.54 0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1xwv n SER 24 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xwv s ASP 25 N -0.96 4.52 0.31 4.04 1.11 -0.30 -4.92 116.67 120.47 1xwv s ASP 25 Ca 0.50 1.97 -0.29 0.00 0.18 0.00 0.00 52.55 54.91 1xwv s ASP 25 Cb 0.30 -2.54 -0.11 0.00 1.07 0.00 0.00 42.92 41.64 1xwv s ASP 25 CO 0.26 -2.03 1.50 -2.84 1.18 0.00 0.00 175.17 173.24 1xwv s PRO 26 N -4.50 4.18 -0.43 8.23 0.02 -1.26 -4.77 135.00 136.46 1xwv s PRO 26 Ca 0.65 2.48 -0.12 0.00 0.02 0.00 0.00 61.00 64.03 1xwv s PRO 26 Cb -0.20 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.36 1xwv s PRO 26 CO 0.50 -0.51 0.30 0.00 -0.33 0.00 0.00 177.00 176.97 1xwv s ILE 28 N 1.53 4.49 -0.30 0.00 -1.09 -1.26 -0.74 121.20 123.82 1xwv s ILE 28 Ca 0.03 1.79 -0.07 0.00 -2.23 0.00 0.00 60.65 60.17 1xwv s ILE 28 Cb -0.23 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1xwv s ILE 28 CO 0.05 -0.09 0.08 -0.63 -1.23 0.00 0.00 174.94 173.11 1xwv s ILE 29 N 2.86 3.97 -0.41 2.92 1.01 0.22 -4.93 121.20 126.85 1xwv s ILE 29 Ca 0.51 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1xwv s ILE 29 Cb -0.20 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1xwv s ILE 29 CO 0.14 0.07 0.77 -1.00 0.00 0.00 0.00 174.94 174.93 1xwv s HIS 30 N 1.50 3.05 0.48 3.97 3.76 -1.26 -1.02 115.29 125.78 1xwv s HIS 30 Ca 0.02 0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 55.04 1xwv s HIS 30 Cb -0.17 -3.52 -0.07 0.00 1.11 0.00 0.00 32.58 29.93 1xwv s HIS 30 CO 0.03 -0.85 1.34 -0.98 -0.85 0.00 0.00 174.74 173.42 1xwv s ARG 31 N 3.17 3.52 0.00 1.40 1.70 -0.53 -2.52 118.95 125.70 1xwv s ARG 31 Ca 0.30 2.20 0.00 0.00 -0.47 0.00 0.00 55.73 57.76 1xwv s ARG 31 Cb -0.13 -2.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.78 1xwv s ARG 31 CO 0.20 -0.87 0.00 0.41 -1.08 0.00 0.00 175.30 173.96 1xwv n GLY 32 N 0.64 0.74 3.19 3.88 0.00 0.35 -4.71 105.19 109.28 1xwv n GLY 32 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1xwv n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwv s LYS 33 N -0.45 0.90 0.27 1.61 1.02 -1.05 -4.84 119.74 117.22 1xwv s LYS 33 Ca 0.00 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 1xwv s LYS 33 Cb 0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.99 1xwv s LYS 33 CO 0.00 -0.04 1.38 -1.25 -0.92 0.00 0.00 175.35 174.51 1xwv s PRO 34 N -3.85 4.31 -0.14 -1.68 0.04 -1.26 -1.50 135.00 130.91 1xwv s PRO 34 Ca 0.15 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1xwv s PRO 34 Cb 0.05 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1xwv s PRO 34 CO -0.03 -0.32 -0.20 0.12 0.04 0.00 0.00 177.00 176.62 1xwv s PHE 35 N -0.41 2.70 -0.08 0.56 5.36 0.12 -4.91 117.98 121.32 1xwv s PHE 35 Ca 0.55 -1.18 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 1xwv s PHE 35 Cb -0.40 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1xwv s PHE 35 CO 0.46 -0.53 -0.21 0.99 -1.46 0.00 0.00 175.22 174.48 1xwv s THR 36 N 0.74 1.78 0.21 0.12 2.01 -1.26 -0.38 115.64 118.85 1xwv s THR 36 Ca -0.08 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1xwv s THR 36 Cb -0.16 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1xwv s THR 36 CO 0.00 0.50 0.01 -1.48 -0.69 0.00 0.00 174.62 172.97 1xwv s LEU 37 N 0.29 2.07 -0.17 4.42 2.34 -0.63 -0.96 118.68 126.05 1xwv s LEU 37 Ca -0.14 -1.22 -0.12 0.00 0.06 0.00 0.00 54.13 52.71 1xwv s LEU 37 Cb -0.16 -0.13 0.05 0.00 -0.56 0.00 0.00 46.19 45.39 1xwv s LEU 37 CO 0.06 -0.57 0.43 -0.70 -1.06 0.00 0.00 176.35 174.51 1xwv s GLU 38 N -3.91 0.45 -0.01 1.48 2.12 0.32 -1.73 118.70 117.42 1xwv s GLU 38 Ca 0.28 0.72 0.01 0.00 0.36 0.00 0.00 54.97 56.34 1xwv s GLU 38 Cb 0.06 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1xwv s GLU 38 CO 0.07 -0.12 -0.04 0.00 -0.54 0.00 0.00 175.26 174.64 1xwv s ALA 39 N 0.91 0.36 -0.13 6.30 0.00 0.46 0.27 121.76 129.93 1xwv s ALA 39 Ca -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1xwv s ALA 39 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1xwv s ALA 39 CO -0.07 0.06 0.05 -0.51 0.00 0.00 0.00 175.76 175.28 1xwv s LEU 40 N 0.13 3.80 0.03 0.00 1.43 0.01 -0.94 118.68 123.14 1xwv s LEU 40 Ca -0.01 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1xwv s LEU 40 Cb -0.04 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1xwv s LEU 40 CO -0.00 0.30 0.35 0.72 0.23 0.00 0.00 176.35 177.95 1xwv s PHE 41 N -0.40 -0.19 -0.15 0.29 -0.71 -0.78 0.22 117.98 116.26 1xwv s PHE 41 Ca 0.09 0.14 -0.14 0.00 -1.04 0.00 0.00 56.93 55.98 1xwv s PHE 41 Cb -0.12 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 1xwv s PHE 41 CO 0.02 -0.51 0.32 -0.51 -1.34 0.00 0.00 175.22 173.20 1xwv s ASP 42 N -1.87 6.48 0.10 1.98 1.01 -0.34 -0.93 116.67 123.09 1xwv s ASP 42 Ca -0.07 0.56 -0.31 0.00 0.71 0.00 0.00 52.55 53.44 1xwv s ASP 42 Cb -0.02 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.65 1xwv s ASP 42 CO -0.01 0.10 1.33 0.00 0.21 0.00 0.00 175.17 176.80 1xwv s ALA 43 N 0.40 3.53 -1.45 5.23 0.00 -0.50 -4.82 121.76 124.15 1xwv s ALA 43 Ca 0.18 1.03 0.19 0.00 0.00 0.00 0.00 51.96 53.37 1xwv s ALA 43 Cb -0.13 -3.51 0.69 0.00 0.00 0.00 0.00 23.12 20.16 1xwv s ALA 43 CO 0.05 -0.56 1.59 0.27 0.00 0.00 0.00 175.76 177.10 1xwv n ASN 44 N 3.96 4.40 -3.65 0.00 0.23 -1.26 -0.35 115.26 118.60 1xwv n ASN 44 Ca 0.11 -2.29 -0.04 0.00 -0.53 0.00 0.00 54.58 51.83 1xwv n ASN 44 Cb 0.44 -0.54 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 1xwv n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xwv s GLN 45 N -1.57 0.89 -0.21 -3.83 -2.07 -1.26 -4.94 119.66 106.67 1xwv s GLN 45 Ca 0.50 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 53.43 1xwv s GLN 45 Cb 0.30 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.52 1xwv s GLN 45 CO 0.27 -0.40 0.39 -0.80 -1.32 0.00 0.00 175.29 173.43 1xwv s ASN 46 N -2.76 6.42 -0.08 12.60 0.01 -1.26 -2.81 114.94 127.05 1xwv s ASN 46 Ca 0.10 0.49 -0.09 0.00 -0.71 0.00 0.00 52.86 52.65 1xwv s ASN 46 Cb -0.00 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.45 1xwv s ASN 46 CO -0.02 -0.08 0.25 0.28 -1.51 0.00 0.00 177.10 176.01 1xwv s THR 47 N 1.36 0.01 -0.13 1.60 -1.32 -0.39 -4.81 115.64 111.97 1xwv s THR 47 Ca 0.18 -0.10 0.15 0.00 -1.21 0.00 0.00 61.69 60.71 1xwv s THR 47 Cb -0.15 -0.38 -0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1xwv s THR 47 CO 0.08 -0.06 1.30 0.11 -2.21 0.00 0.00 174.62 173.85 1xwv h LYS 48 N 5.46 0.00 -6.37 7.08 1.57 -1.93 0.33 116.57 122.71 1xwv h LYS 48 Ca -0.27 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.89 1xwv h LYS 48 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.34 1xwv h LYS 48 CO 0.36 0.50 -0.78 0.95 -0.57 0.00 0.00 179.45 179.91 1xwv s THR 49 N -2.93 2.47 -0.22 -0.16 -4.23 -1.26 -4.63 115.64 104.67 1xwv s THR 49 Ca 0.02 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.25 1xwv s THR 49 Cb 0.08 -2.25 0.12 0.00 1.34 0.00 0.00 72.50 71.79 1xwv s THR 49 CO 0.77 -0.29 0.37 0.00 -0.54 0.00 0.00 174.62 174.93 1xwv s ALA 50 N -2.17 -1.02 -0.10 3.99 0.00 -1.25 -4.07 121.76 117.15 1xwv s ALA 50 Ca 0.26 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1xwv s ALA 50 Cb -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1xwv s ALA 50 CO 0.13 -1.11 -0.21 0.21 0.00 0.00 0.00 175.76 174.78 1xwv s LYS 51 N 2.54 2.73 -0.12 0.00 2.20 0.33 -2.06 119.74 125.37 1xwv s LYS 51 Ca 0.09 -0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 54.66 1xwv s LYS 51 Cb -0.15 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 1xwv s LYS 51 CO -0.14 0.12 0.90 0.42 -0.36 0.00 0.00 175.35 176.29 1xwv s ILE 52 N 0.47 4.86 -0.15 5.43 1.01 -0.52 -0.56 121.20 131.74 1xwv s ILE 52 Ca -0.17 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.31 1xwv s ILE 52 Cb -0.17 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1xwv s ILE 52 CO 0.07 0.05 -0.17 -1.61 0.00 0.00 0.00 174.94 173.28 1xwv s GLU 53 N 1.85 2.54 -0.01 2.79 2.02 0.15 -4.77 118.70 123.26 1xwv s GLU 53 Ca 0.43 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.82 1xwv s GLU 53 Cb -0.18 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1xwv s GLU 53 CO 0.17 -0.18 -0.19 -1.50 0.02 0.00 0.00 175.26 173.58 1xwv s ILE 54 N 1.28 1.47 -0.02 -1.63 2.07 -1.26 0.79 121.20 123.91 1xwv s ILE 54 Ca 0.02 -0.82 0.04 0.00 -1.41 0.00 0.00 60.65 58.48 1xwv s ILE 54 Cb -0.13 -1.23 -0.01 0.00 0.13 0.00 0.00 42.46 41.22 1xwv s ILE 54 CO -0.09 0.40 -0.15 -0.54 -1.91 0.00 0.00 174.94 172.66 1xwv s LYS 55 N -0.48 1.32 -0.01 3.50 1.02 0.41 -4.86 119.74 120.65 1xwv s LYS 55 Ca 0.07 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1xwv s LYS 55 Cb -0.07 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1xwv s LYS 55 CO -0.01 0.27 -0.02 0.00 -0.92 0.00 0.00 175.35 174.68 1xwv s ALA 56 N -0.17 0.20 -0.07 5.17 0.00 -1.26 -0.32 121.76 125.30 1xwv s ALA 56 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1xwv s ALA 56 Cb -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1xwv s ALA 56 CO 0.00 0.03 -0.11 -1.54 0.00 0.00 0.00 175.76 174.13 1xwv s SER 57 N 0.12 1.83 -0.21 0.00 1.04 -0.02 -0.82 113.70 115.64 1xwv s SER 57 Ca -0.01 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 1xwv s SER 57 Cb -0.03 -0.83 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 1xwv s SER 57 CO -0.00 0.01 -0.06 -0.76 0.98 0.00 0.00 173.24 173.40 1xwv s LEU 58 N 0.85 2.84 -1.68 2.42 1.02 -0.03 -1.38 118.68 122.71 1xwv s LEU 58 Ca -0.11 -0.40 -0.18 0.00 0.02 0.00 0.00 54.13 53.47 1xwv s LEU 58 Cb -0.15 -1.71 0.15 0.00 0.02 0.00 0.00 46.19 44.49 1xwv s LEU 58 CO 0.02 -0.00 0.80 0.47 0.02 0.00 0.00 176.35 177.65 1xwv n ASP 59 N 4.66 -3.35 0.00 2.29 8.00 -0.19 -0.48 116.55 127.48 1xwv n ASP 59 Ca -0.18 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1xwv n ASP 59 Cb 0.51 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.74 1xwv n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwv n GLY 60 N -1.44 2.16 3.62 0.44 0.00 -1.26 -5.03 105.19 103.67 1xwv n GLY 60 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1xwv n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwv s LEU 61 N 0.00 4.07 0.36 0.99 1.43 0.37 -5.01 118.68 120.89 1xwv s LEU 61 Ca 0.00 0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.06 1xwv s LEU 61 Cb 0.00 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 1xwv s LEU 61 CO 0.00 -0.09 1.33 -1.61 0.23 0.00 0.00 176.35 176.21 1xwv s GLU 62 N 1.70 4.20 0.04 1.70 0.41 -1.26 -0.85 118.70 124.64 1xwv s GLU 62 Ca 0.13 2.25 0.01 0.00 -0.41 0.00 0.00 54.97 56.95 1xwv s GLU 62 Cb -0.15 -2.96 -0.03 0.00 -1.78 0.00 0.00 34.13 29.21 1xwv s GLU 62 CO 0.09 -0.33 -0.06 -1.50 -0.49 0.00 0.00 175.26 172.97 1xwv s ILE 63 N -1.17 0.41 -0.17 -1.63 2.07 -0.00 -4.91 121.20 115.81 1xwv s ILE 63 Ca 0.52 -1.14 -0.27 0.00 -1.41 0.00 0.00 60.65 58.34 1xwv s ILE 63 Cb -0.40 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1xwv s ILE 63 CO 0.53 -0.49 0.94 -0.62 -1.91 0.00 0.00 174.94 173.39 1xwv s ASP 64 N -1.74 7.08 -0.67 4.50 -1.08 -1.26 -4.12 116.67 119.38 1xwv s ASP 64 Ca -0.09 1.33 -0.19 0.00 -0.52 0.00 0.00 52.55 53.08 1xwv s ASP 64 Cb -0.08 -2.51 0.11 0.00 -1.46 0.00 0.00 42.92 38.99 1xwv s ASP 64 CO -0.01 -0.48 0.80 -0.69 0.52 0.00 0.00 175.17 175.31 1xwv s VAL 65 N 2.38 4.81 0.69 1.11 1.01 -1.26 -5.04 120.40 124.11 1xwv s VAL 65 Ca 0.43 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1xwv s VAL 65 Cb -0.17 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.67 1xwv s VAL 65 CO 0.12 -1.21 1.06 -2.16 0.00 0.00 0.00 175.10 172.91 1xwv s PRO 66 N 2.65 2.97 -1.44 2.72 0.04 -1.26 -4.48 135.00 136.20 1xwv s PRO 66 Ca 0.16 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1xwv s PRO 66 Cb -0.20 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xwv s PRO 66 CO 0.03 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1xwv n GLY 67 N -2.25 -0.07 3.51 0.56 0.00 -1.26 -5.02 105.19 100.66 1xwv n GLY 67 Ca 0.07 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1xwv n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwv s ILE 68 N -2.79 4.19 -0.53 -0.61 1.09 -1.26 -4.95 121.20 116.34 1xwv s ILE 68 Ca 0.00 -0.24 -0.28 0.00 -1.10 0.00 0.00 60.65 59.03 1xwv s ILE 68 Cb 0.00 -2.88 0.01 0.00 -1.06 0.00 0.00 42.46 38.53 1xwv s ILE 68 CO 0.00 0.44 1.39 -0.62 -0.10 0.00 0.00 174.94 176.05 1xwv s ASP 69 N 0.73 6.21 0.00 3.58 -1.08 -1.26 -4.86 116.67 119.98 1xwv s ASP 69 Ca 0.01 0.39 0.23 0.00 -0.52 0.00 0.00 52.55 52.65 1xwv s ASP 69 Cb -0.14 -2.55 1.35 0.00 -1.46 0.00 0.00 42.92 40.13 1xwv s ASP 69 CO 0.02 -1.62 1.76 0.35 0.52 0.00 0.00 175.17 176.20 1xwv n THR 70 N 6.89 0.00 -3.25 1.71 -2.24 -1.26 -4.52 114.28 111.61 1xwv n THR 70 Ca 0.13 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.45 1xwv n THR 70 Cb 0.49 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1xwv n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xwv s ASN 71 N -1.91 6.50 0.57 3.42 3.84 -1.26 -1.44 114.94 124.66 1xwv s ASN 71 Ca 0.34 -2.18 0.38 0.00 0.21 0.00 0.00 52.86 51.60 1xwv s ASN 71 Cb 0.16 -2.24 1.90 0.00 -0.55 0.00 0.00 41.25 40.51 1xwv s ASN 71 CO 0.26 -0.79 2.14 0.00 -2.79 0.00 0.00 177.10 175.92 1xwv h ALA 72 N 8.41 1.00 0.00 1.71 0.00 -1.65 0.22 119.26 128.96 1xwv h ALA 72 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xwv h ALA 72 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xwv h ALA 72 CO 0.92 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.17 1xwv n HIS 74 N -1.45 0.00 -0.70 0.00 8.25 0.78 -4.00 115.22 118.10 1xwv n HIS 74 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1xwv n HIS 74 Cb 0.21 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1xwv n HIS 74 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1xwv n PHE 75 N -1.49 0.00 -4.61 4.41 1.16 -0.36 -5.10 117.46 111.48 1xwv n PHE 75 Ca 0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.36 1xwv n PHE 75 Cb 0.29 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.05 1xwv n PHE 75 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1xwv s MET 76 N -0.02 1.95 -0.85 3.97 -1.94 -0.18 -4.92 119.30 117.31 1xwv s MET 76 Ca 0.00 -2.10 -0.16 0.00 -1.71 0.00 0.00 55.69 51.72 1xwv s MET 76 Cb 0.00 -1.65 0.18 0.00 2.01 0.00 0.00 34.83 35.37 1xwv s MET 76 CO 0.00 -0.04 0.91 0.15 -0.01 0.00 0.00 175.02 176.03 1xwv s LYS 77 N -3.71 3.56 0.35 2.03 1.02 -1.26 -4.70 119.74 117.04 1xwv s LYS 77 Ca 0.35 -2.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.14 1xwv s LYS 77 Cb 0.09 -4.61 -0.06 0.00 -0.52 0.00 0.00 37.83 32.73 1xwv s LYS 77 CO 0.18 -1.50 0.70 0.00 -0.92 0.00 0.00 175.35 173.80 1xwv s PRO 79 N -3.60 3.27 0.29 0.00 0.04 -1.26 -5.10 135.00 128.64 1xwv s PRO 79 Ca 0.49 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 1xwv s PRO 79 Cb -0.10 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1xwv s PRO 79 CO 0.29 -0.94 0.89 -0.51 0.04 0.00 0.00 177.00 176.77 1xwv s LEU 80 N -3.82 4.37 -0.17 -3.56 1.43 0.12 -4.89 118.68 112.15 1xwv s LEU 80 Ca 0.74 1.75 -0.05 0.00 -1.03 0.00 0.00 54.13 55.54 1xwv s LEU 80 Cb -0.26 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 1xwv s LEU 80 CO 0.29 -0.02 0.00 -0.69 0.23 0.00 0.00 176.35 176.16 1xwv s VAL 81 N -1.56 4.16 -0.00 -1.59 1.01 -1.26 -1.26 120.40 119.90 1xwv s VAL 81 Ca 0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 61.98 61.85 1xwv s VAL 81 Cb -0.19 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.20 1xwv s VAL 81 CO 0.24 0.47 1.69 1.17 0.00 0.00 0.00 175.10 178.66 1xwv n LYS 82 N 3.71 1.91 0.00 2.72 4.81 -1.12 -1.09 118.16 129.09 1xwv n LYS 82 Ca -0.17 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1xwv n LYS 82 Cb 0.52 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1xwv n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xwv n GLY 83 N 3.78 1.56 3.87 3.14 0.00 0.53 -4.95 105.19 113.12 1xwv n GLY 83 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1xwv n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xwv s GLN 84 N -0.63 3.82 -0.19 1.61 0.74 -0.25 -4.75 119.66 120.01 1xwv s GLN 84 Ca 0.00 0.60 -0.09 0.00 0.05 0.00 0.00 55.36 55.91 1xwv s GLN 84 Cb 0.00 -2.32 -0.05 0.00 1.10 0.00 0.00 33.01 31.74 1xwv s GLN 84 CO 0.00 -0.10 0.12 -1.14 -0.55 0.00 0.00 175.29 173.61 1xwv s GLN 85 N -3.92 4.11 0.05 1.67 0.74 -1.26 -1.41 119.66 119.63 1xwv s GLN 85 Ca 0.53 -0.24 0.06 0.00 0.05 0.00 0.00 55.36 55.77 1xwv s GLN 85 Cb -0.10 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1xwv s GLN 85 CO 0.32 0.32 -0.15 0.71 -0.55 0.00 0.00 175.29 175.94 1xwv s TYR 86 N 0.28 2.65 -0.45 1.67 1.51 -0.11 -4.97 117.35 117.93 1xwv s TYR 86 Ca 0.07 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1xwv s TYR 86 Cb -0.11 -1.48 0.12 0.00 -0.11 0.00 0.00 41.96 40.38 1xwv s TYR 86 CO -0.01 0.31 0.30 0.34 -1.11 0.00 0.00 175.55 175.38 1xwv s ASP 87 N -1.60 5.54 -0.22 2.29 2.15 -1.26 -1.87 116.67 121.70 1xwv s ASP 87 Ca 0.16 -1.97 -0.14 0.00 0.43 0.00 0.00 52.55 51.03 1xwv s ASP 87 Cb -0.11 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1xwv s ASP 87 CO 0.07 -0.64 0.33 0.00 -0.17 0.00 0.00 175.17 174.76 1xwv s ALA 88 N 1.26 3.57 0.02 3.66 0.00 -0.11 -4.96 121.76 125.20 1xwv s ALA 88 Ca 0.07 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1xwv s ALA 88 Cb -0.25 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1xwv s ALA 88 CO -0.02 -0.32 -0.19 0.15 0.00 0.00 0.00 175.76 175.38 1xwv s LYS 89 N 1.35 1.34 -0.09 0.00 1.02 -1.26 -0.40 119.74 121.69 1xwv s LYS 89 Ca 0.15 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 1xwv s LYS 89 Cb -0.15 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1xwv s LYS 89 CO 0.07 0.36 0.29 -0.47 -0.92 0.00 0.00 175.35 174.68 1xwv s TYR 90 N -0.68 -0.29 -0.13 3.18 5.04 -0.70 -5.01 117.35 118.75 1xwv s TYR 90 Ca 0.06 0.69 -0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1xwv s TYR 90 Cb -0.08 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1xwv s TYR 90 CO 0.01 -0.19 -0.10 0.99 -1.34 0.00 0.00 175.55 174.92 1xwv s THR 91 N -0.10 1.25 -0.04 4.34 2.01 -1.26 -1.60 115.64 120.24 1xwv s THR 91 Ca -0.02 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.59 1xwv s THR 91 Cb -0.03 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1xwv s THR 91 CO 0.01 0.38 -0.25 0.86 -0.69 0.00 0.00 174.62 174.93 1xwv s TRP 92 N 1.61 2.40 -0.40 4.92 -0.00 0.49 -4.92 118.94 123.04 1xwv s TRP 92 Ca 0.05 -0.58 -0.25 0.00 -0.00 0.00 0.00 56.10 55.32 1xwv s TRP 92 Cb -0.13 -1.56 0.02 0.00 -0.00 0.00 0.00 33.47 31.80 1xwv s TRP 92 CO -0.09 -0.13 0.87 1.21 -0.00 0.00 0.00 176.95 178.81 1xwv s ASN 93 N -0.37 6.56 -0.21 5.86 3.84 -1.26 0.11 114.94 129.47 1xwv s ASN 93 Ca 0.03 0.31 -0.29 0.00 0.21 0.00 0.00 52.86 53.12 1xwv s ASN 93 Cb -0.12 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 38.13 1xwv s ASN 93 CO 0.02 -0.88 1.36 -0.69 -2.79 0.00 0.00 177.10 174.12 1xwv s VAL 94 N 3.41 4.10 0.28 -5.21 1.01 -0.56 -4.93 120.40 118.49 1xwv s VAL 94 Ca 0.35 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 1xwv s VAL 94 Cb -0.12 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 1xwv s VAL 94 CO 0.21 -0.26 1.42 -0.81 0.00 0.00 0.00 175.10 175.65 1xwv n PRO 95 N 7.02 2.20 0.26 2.72 -0.04 -1.26 0.13 135.00 146.04 1xwv n PRO 95 Ca 0.15 0.78 0.18 0.00 -0.04 0.00 0.00 63.50 64.57 1xwv n PRO 95 Cb 0.45 -2.44 0.92 0.00 -0.04 0.00 0.00 33.50 32.39 1xwv n PRO 95 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xwv h LYS 96 N 3.87 0.00 -0.57 0.54 1.63 -1.88 -1.51 116.57 118.64 1xwv h LYS 96 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1xwv h LYS 96 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1xwv h LYS 96 CO 0.73 0.00 0.00 0.44 -3.45 0.00 0.00 179.45 177.17 1xwv n ILE 97 N -3.59 0.76 -1.84 2.00 -6.64 -1.26 -4.66 119.36 104.14 1xwv n ILE 97 Ca -0.01 -0.79 -0.41 0.00 -1.77 0.00 0.00 62.75 59.77 1xwv n ILE 97 Cb 0.23 0.47 -0.01 0.00 -1.44 0.00 0.00 39.64 38.89 1xwv n ILE 97 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xwv s ALA 98 N -1.24 3.66 0.24 -1.28 0.00 -0.57 -4.90 121.76 117.67 1xwv s ALA 98 Ca 0.41 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 1xwv s ALA 98 Cb 0.21 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1xwv s ALA 98 CO 0.28 -0.95 1.36 -2.14 0.00 0.00 0.00 175.76 174.31 1xwv s PRO 99 N -1.08 4.34 0.38 0.00 0.02 -1.26 -4.97 135.00 132.42 1xwv s PRO 99 Ca 0.58 2.18 -0.26 0.00 0.02 0.00 0.00 61.00 63.52 1xwv s PRO 99 Cb -0.46 -3.14 -0.09 0.00 0.02 0.00 0.00 34.50 30.83 1xwv s PRO 99 CO 0.53 -0.31 1.18 0.15 -0.33 0.00 0.00 177.00 178.22 1xwv s LYS 100 N -0.49 4.13 -0.12 5.54 1.02 -1.26 -4.85 119.74 123.70 1xwv s LYS 100 Ca 0.56 1.88 -0.27 0.00 0.02 0.00 0.00 55.97 58.17 1xwv s LYS 100 Cb -0.39 -2.76 0.07 0.00 -0.52 0.00 0.00 37.83 34.22 1xwv s LYS 100 CO 0.43 -0.27 0.66 0.45 -0.92 0.00 0.00 175.35 175.70 1xwv s SER 101 N -1.03 -0.65 0.00 2.83 0.15 -0.81 -4.97 113.70 109.21 1xwv s SER 101 Ca 0.55 0.92 0.14 0.00 0.70 0.00 0.00 55.95 58.26 1xwv s SER 101 Cb -0.32 0.84 0.28 0.00 -1.71 0.00 0.00 66.02 65.12 1xwv s SER 101 CO 0.41 -0.46 1.18 -0.62 1.20 0.00 0.00 173.24 174.94 1xwv n GLU 102 N 1.61 2.11 -3.50 5.44 -0.58 -1.26 -1.35 120.64 123.12 1xwv n GLU 102 Ca -0.17 -1.87 -0.28 0.00 -0.42 0.00 0.00 57.16 54.43 1xwv n GLU 102 Cb 0.56 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 30.01 1xwv n GLU 102 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1xwv s ASN 103 N -1.07 2.28 -0.01 1.62 -0.87 -1.26 -4.93 114.94 110.70 1xwv s ASN 103 Ca 0.24 -3.03 0.03 0.00 -1.57 0.00 0.00 52.86 48.53 1xwv s ASN 103 Cb 0.14 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.25 40.69 1xwv s ASN 103 CO 0.19 -0.18 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.75 1xwv s VAL 104 N -0.01 3.42 -0.08 1.60 1.01 -1.24 -1.02 120.40 124.08 1xwv s VAL 104 Ca 0.29 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xwv s VAL 104 Cb -0.03 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1xwv s VAL 104 CO -0.15 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 174.67 1xwv s VAL 105 N -0.91 0.64 -0.09 2.92 1.01 -0.48 -4.45 120.40 119.04 1xwv s VAL 105 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1xwv s VAL 105 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1xwv s VAL 105 CO 0.05 0.29 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 1xwv s VAL 106 N 1.62 1.92 -0.17 2.92 1.01 -0.40 -0.84 120.40 126.46 1xwv s VAL 106 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1xwv s VAL 106 Cb -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1xwv s VAL 106 CO -0.05 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.52 1xwv s THR 107 N 0.38 2.38 -0.21 3.92 2.01 0.56 -0.42 115.64 124.26 1xwv s THR 107 Ca -0.18 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1xwv s THR 107 Cb -0.18 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.36 1xwv s THR 107 CO 0.08 0.52 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.68 1xwv s VAL 108 N 1.08 2.19 0.00 3.82 1.01 -0.49 -0.45 120.40 127.56 1xwv s VAL 108 Ca -0.00 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1xwv s VAL 108 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1xwv s VAL 108 CO -0.06 0.38 -0.05 -0.75 0.00 0.00 0.00 175.10 174.61 1xwv s LYS 109 N 1.25 2.60 -0.12 2.72 2.20 0.24 -2.08 119.74 126.55 1xwv s LYS 109 Ca 0.01 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1xwv s LYS 109 Cb -0.15 -2.54 0.01 0.00 -1.51 0.00 0.00 37.83 33.64 1xwv s LYS 109 CO -0.10 0.61 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.10 1xwv s LEU 110 N -1.44 2.10 -0.02 5.43 2.96 -0.36 0.34 118.68 127.68 1xwv s LEU 110 Ca 0.17 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1xwv s LEU 110 Cb -0.11 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1xwv s LEU 110 CO 0.08 0.12 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.31 1xwv s VAL 111 N 0.60 1.77 0.00 1.68 1.01 0.28 0.95 120.40 126.68 1xwv s VAL 111 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1xwv s VAL 111 Cb -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1xwv s VAL 111 CO 0.03 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1xwv n GLY 112 N 2.63 3.55 0.30 4.51 0.00 0.50 -0.51 105.19 116.16 1xwv n GLY 112 Ca -0.16 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.72 1xwv n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwv h ASP 113 N 0.00 0.45 -0.73 1.61 3.32 -1.89 -3.13 116.42 116.06 1xwv h ASP 113 Ca 0.00 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.52 1xwv h ASP 113 Cb 0.00 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 39.12 1xwv h ASP 113 CO 0.00 0.38 -0.15 0.59 -1.72 0.00 0.00 179.24 178.34 1xwv n ASN 114 N -4.43 5.10 0.00 6.45 3.02 -1.26 -5.08 115.26 119.06 1xwv n ASN 114 Ca 0.02 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1xwv n ASN 114 Cb 0.11 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1xwv n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwv n GLY 115 N -0.88 -1.09 3.76 7.41 0.00 -1.18 -5.02 105.19 108.20 1xwv n GLY 115 Ca 0.47 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1xwv n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwv s VAL 116 N -0.29 2.10 -0.23 1.61 0.11 -1.26 -0.37 120.40 122.07 1xwv s VAL 116 Ca 0.00 0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1xwv s VAL 116 Cb 0.00 -3.06 -0.19 0.00 -1.53 0.00 0.00 36.38 31.60 1xwv s VAL 116 CO 0.00 0.02 -0.09 0.18 -3.33 0.00 0.00 175.10 171.88 1xwv n LEU 117 N 1.33 2.90 -3.58 2.54 4.77 0.27 -4.78 117.00 120.45 1xwv n LEU 117 Ca 0.04 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1xwv n LEU 117 Cb 0.38 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1xwv n LEU 117 CO 0.63 0.92 0.48 0.00 -1.33 0.00 0.00 177.39 178.10 1xwv s ALA 118 N -2.53 -1.53 -0.28 -1.18 0.00 -0.99 -4.69 121.76 110.55 1xwv s ALA 118 Ca -0.32 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 1xwv s ALA 118 Cb 0.08 0.80 0.10 0.00 0.00 0.00 0.00 23.12 24.10 1xwv s ALA 118 CO 0.64 -0.86 0.78 0.00 0.00 0.00 0.00 175.76 176.33 1xwv s ALA 120 N 1.55 0.01 -0.14 0.00 0.00 -0.88 -1.20 121.76 121.09 1xwv s ALA 120 Ca -0.10 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1xwv s ALA 120 Cb -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 1xwv s ALA 120 CO -0.18 -0.07 -0.17 0.42 0.00 0.00 0.00 175.76 175.75 1xwv s ILE 121 N -0.61 2.53 -0.18 0.00 1.01 0.16 -1.40 121.20 122.71 1xwv s ILE 121 Ca -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xwv s ILE 121 Cb -0.04 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1xwv s ILE 121 CO -0.00 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.41 1xwv s ALA 122 N 0.72 2.86 -0.50 9.38 0.00 0.44 -0.77 121.76 133.89 1xwv s ALA 122 Ca -0.08 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1xwv s ALA 122 Cb -0.16 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.43 1xwv s ALA 122 CO 0.01 -0.06 0.66 0.25 0.00 0.00 0.00 175.76 176.63 1xwv n THR 123 N 4.08 0.07 1.13 0.00 -2.24 -1.26 -1.27 114.28 114.78 1xwv n THR 123 Ca -0.18 -0.54 0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1xwv n THR 123 Cb 0.52 1.04 0.19 0.00 -2.10 0.00 0.00 70.33 69.98 1xwv n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xwv n HIS 124 N 0.20 0.00 -2.11 4.78 8.25 -1.26 -4.62 115.22 120.46 1xwv n HIS 124 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1xwv n HIS 124 Cb 0.12 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1xwv n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xwv s ALA 125 N -2.20 3.46 -0.08 -1.41 0.00 -1.26 -0.44 121.76 119.83 1xwv s ALA 125 Ca 0.27 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1xwv s ALA 125 Cb 0.20 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1xwv s ALA 125 CO 0.41 -0.66 -0.07 0.15 0.00 0.00 0.00 175.76 175.59 1xwv s LYS 126 N -1.86 1.31 -0.31 0.00 -0.14 0.08 -3.71 119.74 115.10 1xwv s LYS 126 Ca 0.50 -0.22 -0.16 0.00 -1.36 0.00 0.00 55.97 54.74 1xwv s LYS 126 Cb -0.39 -1.30 -0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1xwv s LYS 126 CO 0.52 -0.15 0.40 0.42 -0.76 0.00 0.00 175.35 175.78 1xwv s ILE 127 N 1.30 5.13 0.35 2.17 1.01 -0.45 0.72 121.20 131.44 1xwv s ILE 127 Ca -0.04 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1xwv s ILE 127 Cb -0.14 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1xwv s ILE 127 CO -0.03 -0.01 0.20 -0.13 0.00 0.00 0.00 174.94 174.96 1xwv s ARG 128 N 2.13 1.79 0.00 2.79 0.52 -0.19 -1.92 118.95 124.06 1xwv s ARG 128 Ca 0.15 -2.06 0.23 0.00 -0.52 0.00 0.00 55.73 53.53 1xwv s ARG 128 Cb -0.16 -0.11 1.35 0.00 0.52 0.00 0.00 34.95 36.55 1xwv s ARG 128 CO 0.11 -0.55 1.72 -0.25 0.02 0.00 0.00 175.30 176.36