#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw7 n THR 2 N 0.00 0.00 -3.91 0.00 5.66 -1.26 -4.47 114.28 110.30 3hw7 n THR 2 Ca 0.00 -0.37 -0.11 0.00 -3.05 0.00 0.00 64.05 60.52 3hw7 n THR 2 Cb 0.00 0.21 -0.13 0.00 -1.55 0.00 0.00 70.33 68.86 3hw7 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3hw7 s LYS 3 N -3.16 0.09 0.12 1.09 1.02 -1.26 -1.01 119.74 116.63 3hw7 s LYS 3 Ca -0.05 -0.16 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 3hw7 s LYS 3 Cb 0.12 0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 3hw7 s LYS 3 CO 0.74 -0.01 0.09 0.00 -0.92 0.00 0.00 175.35 175.25 3hw7 s ALA 4 N -0.36 0.54 0.03 5.17 0.00 -0.15 -1.09 121.76 125.90 3hw7 s ALA 4 Ca -0.04 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 3hw7 s ALA 4 Cb -0.03 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.82 3hw7 s ALA 4 CO -0.00 -0.49 0.29 0.54 0.00 0.00 0.00 175.76 176.09 3hw7 s VAL 5 N -3.99 0.08 -0.06 0.00 0.11 0.40 -0.87 120.40 116.08 3hw7 s VAL 5 Ca 0.18 -0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3hw7 s VAL 5 Cb 0.07 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3hw7 s VAL 5 CO -0.02 -0.37 0.12 0.00 -3.33 0.00 0.00 175.10 171.50 3hw7 s VAL 7 N 1.32 4.62 -0.11 0.00 1.01 -1.26 -0.68 120.40 125.30 3hw7 s VAL 7 Ca -0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 3hw7 s VAL 7 Cb -0.12 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 3hw7 s VAL 7 CO -0.05 -0.10 0.97 -0.76 0.00 0.00 0.00 175.10 175.15 3hw7 s LEU 8 N 1.59 4.24 0.02 3.92 1.43 0.14 -3.79 118.68 126.23 3hw7 s LEU 8 Ca 0.03 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3hw7 s LEU 8 Cb -0.18 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3hw7 s LEU 8 CO 0.07 -0.42 -0.03 -0.54 0.23 0.00 0.00 176.35 175.65 3hw7 s LYS 9 N 1.93 0.33 0.00 1.70 1.02 0.60 -2.20 119.74 123.12 3hw7 s LYS 9 Ca 0.47 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.84 3hw7 s LYS 9 Cb -0.18 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3hw7 s LYS 9 CO 0.18 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 3hw7 n GLY 10 N 1.60 3.55 0.08 -3.33 0.00 -1.26 -1.07 105.19 104.77 3hw7 n GLY 10 Ca -0.24 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.83 3hw7 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hw7 n ASP 11 N -0.48 0.75 0.00 1.61 5.75 -1.26 -4.94 116.55 117.98 3hw7 n ASP 11 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 3hw7 n ASP 11 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3hw7 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hw7 n GLY 12 N 1.33 4.52 0.00 6.12 0.00 -1.26 -5.01 105.19 110.89 3hw7 n GLY 12 Ca 0.04 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3hw7 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hw7 n PRO 13 N 0.00 0.13 -2.85 1.61 -0.04 -1.26 -4.84 135.00 127.74 3hw7 n PRO 13 Ca 0.00 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 3hw7 n PRO 13 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 3hw7 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hw7 s VAL 14 N -2.84 4.93 0.05 0.52 1.01 -1.26 -4.38 120.40 118.42 3hw7 s VAL 14 Ca 0.16 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 3hw7 s VAL 14 Cb 0.16 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3hw7 s VAL 14 CO 0.41 0.17 0.02 -1.10 0.00 0.00 0.00 175.10 174.61 3hw7 s GLN 15 N 1.09 0.58 0.05 2.72 -0.21 -0.97 -4.01 119.66 118.90 3hw7 s GLN 15 Ca 0.45 -0.98 -0.27 0.00 0.02 0.00 0.00 55.36 54.58 3hw7 s GLN 15 Cb -0.19 0.21 0.09 0.00 1.00 0.00 0.00 33.01 34.12 3hw7 s GLN 15 CO 0.22 -0.12 0.93 0.20 -2.12 0.00 0.00 175.29 174.39 3hw7 s GLY 16 N -2.47 -0.38 -0.10 3.09 0.00 -0.94 0.51 107.32 107.03 3hw7 s GLY 16 Ca -0.00 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3hw7 s GLY 16 CO -0.07 0.21 -0.13 -1.59 0.00 0.00 0.00 173.10 171.52 3hw7 s THR 17 N -3.16 1.34 -0.10 0.90 2.01 -0.69 0.25 115.64 116.18 3hw7 s THR 17 Ca 0.08 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3hw7 s THR 17 Cb -0.01 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 3hw7 s THR 17 CO -0.05 0.41 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.50 3hw7 s ILE 18 N 1.08 2.79 0.08 1.82 -1.09 0.15 -2.22 121.20 123.81 3hw7 s ILE 18 Ca -0.06 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3hw7 s ILE 18 Cb -0.15 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3hw7 s ILE 18 CO -0.02 0.55 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.14 3hw7 s HIS 19 N 0.08 2.76 -0.00 3.97 3.76 0.16 -0.85 115.29 125.16 3hw7 s HIS 19 Ca -0.07 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 3hw7 s HIS 19 Cb -0.15 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 3hw7 s HIS 19 CO 0.05 0.41 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.17 3hw7 s PHE 20 N -1.17 1.06 -0.04 1.40 0.40 -0.05 -1.19 117.98 118.40 3hw7 s PHE 20 Ca 0.21 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3hw7 s PHE 20 Cb -0.11 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.77 3hw7 s PHE 20 CO 0.12 -0.01 0.06 -2.00 0.70 0.00 0.00 175.22 174.09 3hw7 s GLU 21 N -0.35 -0.02 -0.56 0.44 2.12 -0.57 -0.98 118.70 118.77 3hw7 s GLU 21 Ca 0.04 0.29 -0.28 0.00 0.36 0.00 0.00 54.97 55.38 3hw7 s GLU 21 Cb -0.05 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.05 3hw7 s GLU 21 CO -0.00 -0.22 1.45 0.00 -0.54 0.00 0.00 175.26 175.95 3hw7 s ALA 22 N 1.44 2.77 -0.18 6.30 0.00 -0.18 -0.79 121.76 131.13 3hw7 s ALA 22 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3hw7 s ALA 22 Cb -0.12 -4.12 0.02 0.00 0.00 0.00 0.00 23.12 18.90 3hw7 s ALA 22 CO -0.04 -2.99 -0.19 0.15 0.00 0.00 0.00 175.76 172.70 3hw7 s LYS 23 N 5.61 2.87 7.46 0.00 1.02 0.03 -4.97 119.74 131.77 3hw7 s LYS 23 Ca 0.54 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.74 3hw7 s LYS 23 Cb -0.11 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3hw7 s LYS 23 CO 0.25 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 3hw7 n GLY 24 N 4.64 3.08 1.34 -3.33 0.00 -1.26 -1.23 105.19 108.43 3hw7 n GLY 24 Ca -0.20 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3hw7 n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hw7 n ASP 25 N 4.79 3.92 -4.79 1.61 8.00 -1.26 -4.99 116.55 123.83 3hw7 n ASP 25 Ca 0.00 -2.00 -0.27 0.00 0.71 0.00 0.00 54.79 53.23 3hw7 n ASP 25 Cb 0.00 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 3hw7 n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hw7 s THR 26 N -1.05 1.89 -0.14 -3.53 -1.32 -0.37 -5.03 115.64 106.10 3hw7 s THR 26 Ca 0.48 -1.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 3hw7 s THR 26 Cb 0.25 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 3hw7 s THR 26 CO 0.33 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.86 3hw7 s VAL 27 N -2.70 2.33 -0.23 5.08 1.01 -1.21 -0.79 120.40 123.89 3hw7 s VAL 27 Ca 0.32 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3hw7 s VAL 27 Cb 0.02 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3hw7 s VAL 27 CO 0.18 0.54 0.28 -0.69 0.00 0.00 0.00 175.10 175.41 3hw7 s VAL 28 N 0.77 5.27 -0.22 2.92 1.01 0.03 -1.55 120.40 128.63 3hw7 s VAL 28 Ca -0.07 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 3hw7 s VAL 28 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3hw7 s VAL 28 CO -0.00 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.61 3hw7 s VAL 29 N 1.33 3.06 0.25 2.92 1.01 0.14 -1.52 120.40 127.58 3hw7 s VAL 29 Ca 0.13 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3hw7 s VAL 29 Cb -0.14 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3hw7 s VAL 29 CO 0.07 0.42 0.11 0.42 0.00 0.00 0.00 175.10 176.11 3hw7 s THR 30 N 1.42 0.45 -3.63 3.92 -4.23 -0.34 -0.17 115.64 113.06 3hw7 s THR 30 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3hw7 s THR 30 Cb -0.14 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3hw7 s THR 30 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3hw7 n GLY 31 N -0.43 0.80 3.41 3.99 0.00 -1.09 0.36 105.19 112.22 3hw7 n GLY 31 Ca 0.00 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 3hw7 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw7 s SER 32 N -4.00 -0.48 -0.06 1.61 1.04 -0.94 -1.21 113.70 109.65 3hw7 s SER 32 Ca 0.00 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.68 3hw7 s SER 32 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3hw7 s SER 32 CO 0.00 -0.74 -0.11 -0.63 0.98 0.00 0.00 173.24 172.75 3hw7 s ILE 33 N -2.44 1.00 0.39 -1.02 1.01 -0.15 -1.71 121.20 118.28 3hw7 s ILE 33 Ca -0.05 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.27 3hw7 s ILE 33 Cb -0.01 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3hw7 s ILE 33 CO -0.02 0.32 0.19 0.42 0.00 0.00 0.00 174.94 175.86 3hw7 s THR 34 N 0.65 2.58 -0.02 2.92 -4.23 0.18 -0.81 115.64 116.92 3hw7 s THR 34 Ca -0.13 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3hw7 s THR 34 Cb -0.15 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3hw7 s THR 34 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3hw7 n GLY 35 N -1.25 0.46 3.90 3.99 0.00 -0.73 -2.29 105.19 109.26 3hw7 n GLY 35 Ca -0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 3hw7 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hw7 s LEU 36 N -0.05 3.82 0.45 0.99 1.43 -0.63 -4.26 118.68 120.44 3hw7 s LEU 36 Ca 0.00 0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 3hw7 s LEU 36 Cb 0.00 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3hw7 s LEU 36 CO 0.00 -0.41 1.09 0.42 0.23 0.00 0.00 176.35 177.68 3hw7 s THR 37 N -2.44 3.51 0.42 5.49 -4.23 -1.26 -4.00 115.64 113.13 3hw7 s THR 37 Ca 0.47 1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 61.80 3hw7 s THR 37 Cb -0.10 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.13 3hw7 s THR 37 CO 0.36 -0.08 1.09 1.21 -0.54 0.00 0.00 174.62 176.67 3hw7 n GLU 38 N -0.55 1.53 0.00 3.99 2.13 -1.26 -4.54 120.64 121.94 3hw7 n GLU 38 Ca 0.07 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.44 3hw7 n GLU 38 Cb 0.50 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.07 3hw7 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hw7 n GLY 39 N 1.07 -1.94 3.79 8.31 0.00 -0.28 -4.87 105.19 111.26 3hw7 n GLY 39 Ca 0.09 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 3hw7 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw7 s ASP 40 N -2.49 6.55 -0.04 1.61 1.11 -1.26 -0.62 116.67 121.54 3hw7 s ASP 40 Ca 0.00 2.03 -0.02 0.00 0.18 0.00 0.00 52.55 54.75 3hw7 s ASP 40 Cb 0.00 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.44 3hw7 s ASP 40 CO 0.00 -0.64 0.07 -1.00 1.18 0.00 0.00 175.17 174.78 3hw7 s HIS 41 N -1.75 0.01 0.30 4.23 3.76 0.24 -2.67 115.29 119.41 3hw7 s HIS 41 Ca 0.62 0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 55.52 3hw7 s HIS 41 Cb -0.21 -0.35 -0.14 0.00 1.11 0.00 0.00 32.58 32.99 3hw7 s HIS 41 CO 0.26 -0.17 0.98 0.41 -0.85 0.00 0.00 174.74 175.37 3hw7 n GLY 42 N 4.87 -0.34 2.70 -2.22 0.00 -0.46 -1.07 105.19 108.67 3hw7 n GLY 42 Ca -0.13 0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3hw7 n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hw7 s PHE 43 N -1.08 -0.05 0.03 1.61 5.36 -0.15 -0.73 117.98 122.97 3hw7 s PHE 43 Ca 0.59 0.04 -0.05 0.00 -0.96 0.00 0.00 56.93 56.54 3hw7 s PHE 43 Cb -0.70 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.48 3hw7 s PHE 43 CO 0.60 -0.51 0.09 -1.01 -1.46 0.00 0.00 175.22 172.93 3hw7 s HIS 44 N 2.24 0.19 -0.20 10.12 3.76 -0.57 -2.47 115.29 128.35 3hw7 s HIS 44 Ca 0.04 -0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 3hw7 s HIS 44 Cb -0.15 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 3hw7 s HIS 44 CO -0.10 -0.34 0.68 0.08 -0.85 0.00 0.00 174.74 174.21 3hw7 s VAL 45 N -2.37 4.97 0.15 -0.90 1.01 0.27 -1.06 120.40 122.47 3hw7 s VAL 45 Ca -0.07 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 3hw7 s VAL 45 Cb -0.03 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3hw7 s VAL 45 CO -0.03 0.07 0.33 -1.00 0.00 0.00 0.00 175.10 174.46 3hw7 s HIS 46 N 2.12 3.49 0.13 5.22 3.76 0.23 -0.25 115.29 129.98 3hw7 s HIS 46 Ca 0.31 0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 55.37 3hw7 s HIS 46 Cb -0.16 -1.84 -0.06 0.00 1.11 0.00 0.00 32.58 31.63 3hw7 s HIS 46 CO 0.10 0.46 1.78 0.37 -0.85 0.00 0.00 174.74 176.60 3hw7 h GLN 47 N 2.46 0.30 -5.76 1.40 4.15 -0.46 -2.54 115.11 114.67 3hw7 h GLN 47 Ca -0.47 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.28 3hw7 h GLN 47 Cb 1.18 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.74 3hw7 h GLN 47 CO 0.71 0.20 -0.42 -0.06 -1.93 0.00 0.00 178.83 177.33 3hw7 s PHE 48 N -6.16 3.61 -1.31 3.99 0.08 0.23 -4.61 117.98 113.80 3hw7 s PHE 48 Ca -0.13 0.59 -0.06 0.00 0.12 0.00 0.00 56.93 57.46 3hw7 s PHE 48 Cb 0.09 -1.99 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 3hw7 s PHE 48 CO 0.70 0.70 2.45 0.41 -0.10 0.00 0.00 175.22 179.37 3hw7 n GLY 49 N 1.71 5.11 2.94 4.36 0.00 -0.71 -3.40 105.19 115.20 3hw7 n GLY 49 Ca -0.17 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 3hw7 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hw7 s ASP 50 N 0.52 3.97 -0.24 1.61 -1.08 -1.26 -4.95 116.67 115.24 3hw7 s ASP 50 Ca 0.56 -1.30 0.14 0.00 -0.52 0.00 0.00 52.55 51.42 3hw7 s ASP 50 Cb 0.19 -1.21 0.61 0.00 -1.46 0.00 0.00 42.92 41.05 3hw7 s ASP 50 CO -0.10 -0.26 1.55 -3.20 0.52 0.00 0.00 175.17 173.69 3hw7 n ASN 51 N 4.64 4.08 0.17 -0.34 5.15 -1.26 -2.61 115.26 125.09 3hw7 n ASN 51 Ca -0.10 -3.18 0.02 0.00 -0.60 0.00 0.00 54.58 50.72 3hw7 n ASN 51 Cb 0.44 -0.62 0.33 0.00 -0.53 0.00 0.00 39.78 39.39 3hw7 n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3hw7 h THR 52 N 2.10 1.29 -1.65 -0.44 1.35 -1.93 -2.91 112.91 110.71 3hw7 h THR 52 Ca 0.09 -1.39 -0.59 0.00 -0.55 0.00 0.00 66.41 63.98 3hw7 h THR 52 Cb 1.74 1.73 -0.42 0.00 -1.73 0.00 0.00 68.15 69.47 3hw7 h THR 52 CO 0.39 0.40 -0.72 0.00 -0.25 0.00 0.00 175.52 175.35 3hw7 n GLN 53 N -4.06 3.39 0.00 4.72 6.02 -1.26 -5.05 117.38 121.14 3hw7 n GLN 53 Ca -0.02 -4.57 0.00 0.00 -0.01 0.00 0.00 57.00 52.40 3hw7 n GLN 53 Cb 0.43 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.45 3hw7 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hw7 n GLY 54 N -0.44 1.14 0.14 1.08 0.00 -1.10 -2.75 105.19 103.26 3hw7 n GLY 54 Ca 0.38 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3hw7 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw7 h THR 56 N 0.00 1.19 0.00 0.00 2.02 -1.84 -2.76 112.91 111.52 3hw7 h THR 56 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3hw7 h THR 56 Cb 0.56 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3hw7 h THR 56 CO 0.00 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 3hw7 n SER 57 N -4.57 0.00 0.16 4.18 3.41 -1.23 -2.52 113.62 113.05 3hw7 n SER 57 Ca 0.06 -0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3hw7 n SER 57 Cb 0.04 -0.16 0.57 0.00 -0.26 0.00 0.00 64.21 64.40 3hw7 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hw7 h ALA 58 N 3.04 1.00 -0.22 7.33 0.00 -1.23 -3.39 119.26 125.78 3hw7 h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hw7 h ALA 58 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hw7 h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hw7 n GLY 59 N -0.67 -1.41 1.80 0.00 0.00 -1.05 -0.60 105.19 103.26 3hw7 n GLY 59 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 3hw7 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hw7 n PRO 60 N -0.12 -0.69 -2.02 1.61 -0.04 -1.26 -4.60 135.00 127.87 3hw7 n PRO 60 Ca 0.00 -0.96 -0.38 0.00 -0.04 0.00 0.00 63.50 62.13 3hw7 n PRO 60 Cb 0.00 -0.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 3hw7 n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3hw7 s HIS 61 N -2.34 2.60 0.04 0.54 3.76 -1.26 -0.33 115.29 118.29 3hw7 s HIS 61 Ca 0.35 1.45 -0.32 0.00 -0.15 0.00 0.00 55.06 56.40 3hw7 s HIS 61 Cb -0.01 -3.60 -0.10 0.00 1.11 0.00 0.00 32.58 29.98 3hw7 s HIS 61 CO 0.25 -2.19 1.89 0.34 -0.85 0.00 0.00 174.74 174.18 3hw7 n PHE 62 N -0.69 2.48 -2.99 1.40 7.35 0.65 -4.41 117.46 121.27 3hw7 n PHE 62 Ca 0.08 -0.18 -0.14 0.00 -0.76 0.00 0.00 57.45 56.45 3hw7 n PHE 62 Cb 0.46 -2.73 0.02 0.00 0.35 0.00 0.00 39.48 37.57 3hw7 n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3hw7 n ASN 63 N 6.54 -0.68 0.28 -2.13 5.15 -1.26 -1.18 115.26 121.98 3hw7 n ASN 63 Ca 0.20 -3.26 0.18 0.00 -0.60 0.00 0.00 54.58 51.10 3hw7 n ASN 63 Cb 0.36 0.50 0.82 0.00 -0.53 0.00 0.00 39.78 40.94 3hw7 n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hw7 h PRO 64 N 3.17 0.00 -0.02 1.20 0.13 -1.93 -2.56 132.00 131.99 3hw7 h PRO 64 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3hw7 h PRO 64 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hw7 h PRO 64 CO 0.35 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.36 3hw7 n LEU 65 N -3.03 1.64 -3.49 1.56 4.77 -1.26 -4.98 117.00 112.21 3hw7 n LEU 65 Ca -0.00 -0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 55.26 3hw7 n LEU 65 Cb 0.23 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3hw7 n LEU 65 CO 0.25 0.28 0.10 -1.20 -1.33 0.00 0.00 177.39 175.48 3hw7 n SER 66 N 0.21 -2.36 -4.94 -1.43 7.64 -0.96 -5.01 113.62 106.76 3hw7 n SER 66 Ca 0.17 -0.64 -0.22 0.00 1.01 0.00 0.00 58.87 59.19 3hw7 n SER 66 Cb 0.39 -4.96 0.01 0.00 -1.01 0.00 0.00 64.21 58.63 3hw7 n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hw7 s LYS 67 N -5.55 2.41 0.57 1.43 1.02 -1.26 -5.12 119.74 113.23 3hw7 s LYS 67 Ca 0.06 -1.70 -0.08 0.00 0.02 0.00 0.00 55.97 54.28 3hw7 s LYS 67 Cb -0.03 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3hw7 s LYS 67 CO 0.74 -0.53 0.91 0.15 -0.92 0.00 0.00 175.35 175.70 3hw7 s LYS 68 N -4.35 3.34 0.42 1.68 1.02 -1.26 -4.78 119.74 115.82 3hw7 s LYS 68 Ca 0.48 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 3hw7 s LYS 68 Cb -0.04 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 34.95 3hw7 s LYS 68 CO 0.29 -0.50 1.31 -1.58 -0.92 0.00 0.00 175.35 173.96 3hw7 s HIS 69 N -2.98 2.75 0.04 3.18 5.65 0.10 -3.32 115.29 120.72 3hw7 s HIS 69 Ca 0.52 1.39 -0.01 0.00 0.25 0.00 0.00 55.06 57.22 3hw7 s HIS 69 Cb -0.11 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 3hw7 s HIS 69 CO 0.48 -2.20 0.07 0.41 -0.65 0.00 0.00 174.74 172.84 3hw7 n GLY 70 N 0.65 2.79 3.91 1.59 0.00 -1.24 -4.31 105.19 108.58 3hw7 n GLY 70 Ca 0.04 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 3hw7 n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hw7 s GLY 71 N -1.26 1.56 0.55 -0.02 0.00 -1.14 -4.59 107.32 102.41 3hw7 s GLY 71 Ca 0.03 -0.63 0.23 0.00 0.00 0.00 0.00 44.72 44.35 3hw7 s GLY 71 CO 0.02 -0.41 2.11 -0.56 0.00 0.00 0.00 173.10 174.27 3hw7 h PRO 72 N 0.02 0.00 -0.03 2.90 0.13 -1.88 -0.51 132.00 132.64 3hw7 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hw7 h PRO 72 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hw7 h PRO 72 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 3hw7 n LYS 73 N -4.22 1.47 -3.40 0.86 5.02 -1.26 -4.91 118.16 111.72 3hw7 n LYS 73 Ca 0.01 -0.68 -0.32 0.00 -2.02 0.00 0.00 58.31 55.30 3hw7 n LYS 73 Cb 0.27 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3hw7 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hw7 s ASP 74 N -1.92 6.64 0.11 4.39 1.01 -0.20 -4.97 116.67 121.73 3hw7 s ASP 74 Ca 0.39 0.95 -0.16 0.00 0.71 0.00 0.00 52.55 54.44 3hw7 s ASP 74 Cb 0.20 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 3hw7 s ASP 74 CO 0.33 -0.08 1.56 -0.08 0.21 0.00 0.00 175.17 177.10 3hw7 h GLU 75 N 2.52 0.61 -5.02 8.23 4.57 -1.91 -3.38 114.58 120.21 3hw7 h GLU 75 Ca -0.47 -0.19 -0.67 0.00 -1.18 0.00 0.00 59.36 56.85 3hw7 h GLU 75 Cb 1.17 -0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.53 3hw7 h GLU 75 CO 0.69 0.72 0.43 -2.00 -1.18 0.00 0.00 179.01 177.67 3hw7 s GLU 76 N -5.03 3.20 0.19 1.92 2.56 -1.26 -4.94 118.70 115.35 3hw7 s GLU 76 Ca -0.13 -1.26 -0.17 0.00 0.00 0.00 0.00 54.97 53.41 3hw7 s GLU 76 Cb 0.09 -4.39 0.02 0.00 2.00 0.00 0.00 34.13 31.86 3hw7 s GLU 76 CO 0.78 -1.69 0.50 -0.98 -0.56 0.00 0.00 175.26 173.31 3hw7 s ARG 77 N 3.14 1.36 0.40 4.30 1.70 -1.21 -3.64 118.95 125.00 3hw7 s ARG 77 Ca 0.20 -0.89 -0.22 0.00 -0.47 0.00 0.00 55.73 54.35 3hw7 s ARG 77 Cb -0.17 0.51 -0.11 0.00 -0.57 0.00 0.00 34.95 34.61 3hw7 s ARG 77 CO 0.04 -0.57 0.95 -1.01 -1.08 0.00 0.00 175.30 173.63 3hw7 s HIS 78 N -3.88 3.42 0.29 5.89 3.76 -1.23 -4.62 115.29 118.91 3hw7 s HIS 78 Ca 0.10 1.66 0.01 0.00 -0.15 0.00 0.00 55.06 56.68 3hw7 s HIS 78 Cb -0.01 -2.87 0.56 0.00 1.11 0.00 0.00 32.58 31.37 3hw7 s HIS 78 CO -0.03 -0.02 1.84 0.28 -0.85 0.00 0.00 174.74 175.97 3hw7 h VAL 79 N 2.11 0.93 0.00 -0.90 2.07 -1.87 -1.46 116.25 117.14 3hw7 h VAL 79 Ca -0.48 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hw7 h VAL 79 Cb 1.18 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3hw7 h VAL 79 CO 0.62 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3hw7 n GLY 80 N -1.36 -0.66 3.56 2.17 0.00 -0.33 -4.36 105.19 104.22 3hw7 n GLY 80 Ca 0.18 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3hw7 n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw7 s ASP 81 N -2.46 6.34 -0.13 1.61 1.01 -0.55 -0.57 116.67 121.92 3hw7 s ASP 81 Ca 0.14 -1.52 0.13 0.00 0.71 0.00 0.00 52.55 52.02 3hw7 s ASP 81 Cb 0.09 -2.57 0.61 0.00 1.01 0.00 0.00 42.92 42.06 3hw7 s ASP 81 CO 0.19 -1.66 1.47 0.18 0.21 0.00 0.00 175.17 175.56 3hw7 n LEU 82 N 9.62 4.23 0.00 1.23 4.77 -1.03 -3.55 117.00 132.27 3hw7 n LEU 82 Ca 0.37 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 3hw7 n LEU 82 Cb 0.50 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hw7 n LEU 82 CO 0.67 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 3hw7 n GLY 83 N 0.80 0.50 3.30 -0.72 0.00 -1.20 -4.79 105.19 103.08 3hw7 n GLY 83 Ca 0.21 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3hw7 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hw7 s ASN 84 N -4.00 2.81 0.05 1.61 0.01 -1.26 -0.97 114.94 113.18 3hw7 s ASN 84 Ca 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 3hw7 s ASN 84 Cb 0.00 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 3hw7 s ASN 84 CO 0.00 0.18 0.16 0.68 -1.51 0.00 0.00 177.10 176.60 3hw7 s VAL 85 N -0.90 5.08 -0.23 1.60 -7.23 -0.24 -4.88 120.40 113.61 3hw7 s VAL 85 Ca 0.10 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 3hw7 s VAL 85 Cb -0.10 -3.44 0.02 0.00 0.56 0.00 0.00 36.38 33.42 3hw7 s VAL 85 CO 0.03 0.18 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.02 3hw7 s THR 86 N -1.42 2.73 0.20 5.32 2.01 -1.26 -0.59 115.64 122.63 3hw7 s THR 86 Ca 0.31 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 3hw7 s THR 86 Cb -0.13 -2.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.99 3hw7 s THR 86 CO 0.23 0.32 0.71 0.00 -0.69 0.00 0.00 174.62 175.20 3hw7 s ALA 87 N 1.34 3.44 0.80 7.40 0.00 0.21 -4.12 121.76 130.83 3hw7 s ALA 87 Ca 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3hw7 s ALA 87 Cb -0.15 -2.81 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3hw7 s ALA 87 CO -0.06 0.34 0.36 -0.40 0.00 0.00 0.00 175.76 175.99 3hw7 n ASP 88 N 0.90 0.17 0.29 0.00 5.68 -0.54 -1.13 116.55 121.92 3hw7 n ASP 88 Ca -0.03 -1.22 0.18 0.00 -0.50 0.00 0.00 54.79 53.22 3hw7 n ASP 88 Cb 0.51 -0.26 0.83 0.00 -1.14 0.00 0.00 41.12 41.06 3hw7 n ASP 88 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3hw7 h LYS 89 N 0.00 0.00 -0.01 0.11 3.64 -1.95 -0.45 116.57 117.91 3hw7 h LYS 89 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3hw7 h LYS 89 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3hw7 h LYS 89 CO 0.10 0.03 -0.13 0.09 -2.27 0.00 0.00 179.45 177.27 3hw7 n ASN 90 N -3.20 0.69 0.00 4.20 3.02 -1.26 -4.90 115.26 113.81 3hw7 n ASN 90 Ca -0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hw7 n ASN 90 Cb 0.24 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3hw7 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hw7 n GLY 91 N 1.27 0.75 3.57 7.41 0.00 -0.18 -4.67 105.19 113.34 3hw7 n GLY 91 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3hw7 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw7 s VAL 92 N -2.20 5.06 -0.22 1.61 1.01 -1.26 -1.61 120.40 122.80 3hw7 s VAL 92 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3hw7 s VAL 92 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3hw7 s VAL 92 CO 0.00 0.29 0.01 0.00 0.00 0.00 0.00 175.10 175.40 3hw7 s ALA 93 N 1.60 3.04 -0.20 5.51 0.00 0.01 -1.47 121.76 130.24 3hw7 s ALA 93 Ca 0.07 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3hw7 s ALA 93 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3hw7 s ALA 93 CO 0.08 -0.30 0.57 0.42 0.00 0.00 0.00 175.76 176.54 3hw7 s ILE 94 N 1.26 5.06 -0.12 0.00 -1.09 -1.26 -0.97 121.20 124.08 3hw7 s ILE 94 Ca 0.04 1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 59.31 3hw7 s ILE 94 Cb -0.15 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 3hw7 s ILE 94 CO 0.01 0.14 0.61 -0.69 -1.23 0.00 0.00 174.94 173.78 3hw7 s VAL 95 N 1.79 5.09 -0.39 2.92 1.01 -0.35 -4.73 120.40 125.73 3hw7 s VAL 95 Ca 0.26 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.50 3hw7 s VAL 95 Cb -0.16 -3.94 0.17 0.00 0.00 0.00 0.00 36.38 32.45 3hw7 s VAL 95 CO 0.10 0.23 0.49 -0.62 0.00 0.00 0.00 175.10 175.30 3hw7 s ASP 96 N 0.86 0.02 0.00 3.32 2.15 -1.23 -2.68 116.67 119.11 3hw7 s ASP 96 Ca 0.31 -1.32 0.02 0.00 0.43 0.00 0.00 52.55 52.00 3hw7 s ASP 96 Cb -0.16 1.14 -0.01 0.00 -0.30 0.00 0.00 42.92 43.59 3hw7 s ASP 96 CO 0.13 -0.21 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.21 3hw7 s ILE 97 N 1.53 0.62 -0.13 4.11 1.01 0.76 -4.99 121.20 124.10 3hw7 s ILE 97 Ca 0.17 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3hw7 s ILE 97 Cb -0.10 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.84 3hw7 s ILE 97 CO -0.04 0.09 -0.20 -0.69 0.00 0.00 0.00 174.94 174.09 3hw7 s VAL 98 N -0.36 1.92 -0.07 2.92 1.01 -1.26 0.24 120.40 124.80 3hw7 s VAL 98 Ca 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3hw7 s VAL 98 Cb -0.04 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3hw7 s VAL 98 CO -0.00 0.52 -0.18 -0.62 0.00 0.00 0.00 175.10 174.82 3hw7 s ASP 99 N 0.85 2.39 0.06 3.32 2.15 -0.59 -5.00 116.67 119.85 3hw7 s ASP 99 Ca -0.07 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 52.77 3hw7 s ASP 99 Cb -0.15 -0.96 1.10 0.00 -0.30 0.00 0.00 42.92 42.61 3hw7 s ASP 99 CO -0.02 0.12 1.87 -0.81 -0.17 0.00 0.00 175.17 176.16 3hw7 n PRO 100 N 3.48 0.07 -0.11 4.34 -0.04 -1.26 -3.29 135.00 138.20 3hw7 n PRO 100 Ca -0.20 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.19 3hw7 n PRO 100 Cb 0.52 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 3hw7 n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hw7 n LEU 101 N -1.72 2.43 -4.76 1.53 4.77 -1.26 -4.98 117.00 113.01 3hw7 n LEU 101 Ca 0.06 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 3hw7 n LEU 101 Cb 0.36 -0.55 0.10 0.00 -2.33 0.00 0.00 43.42 41.00 3hw7 n LEU 101 CO 0.27 0.79 0.69 0.27 -1.33 0.00 0.00 177.39 178.08 3hw7 s ILE 102 N -2.44 3.19 0.12 -0.08 -4.36 -1.26 -4.84 121.20 111.54 3hw7 s ILE 102 Ca -0.26 0.39 -0.08 0.00 -0.26 0.00 0.00 60.65 60.44 3hw7 s ILE 102 Cb 0.07 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.86 3hw7 s ILE 102 CO 0.54 -0.50 0.22 -0.55 0.24 0.00 0.00 174.94 174.89 3hw7 s SER 103 N -3.48 0.10 -0.03 4.36 0.15 -0.74 -4.56 113.70 109.50 3hw7 s SER 103 Ca 0.61 -0.79 0.16 0.00 0.70 0.00 0.00 55.95 56.64 3hw7 s SER 103 Cb -0.17 0.38 0.47 0.00 -1.71 0.00 0.00 66.02 64.99 3hw7 s SER 103 CO 0.56 -0.80 1.40 0.18 1.20 0.00 0.00 173.24 175.78 3hw7 n LEU 104 N -0.13 3.52 -3.51 3.45 4.77 -1.26 -1.00 117.00 122.83 3hw7 n LEU 104 Ca -0.11 -2.12 -0.17 0.00 -0.03 0.00 0.00 56.01 53.57 3hw7 n LEU 104 Cb 0.63 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3hw7 n LEU 104 CO 0.24 0.82 0.43 -0.94 -1.33 0.00 0.00 177.39 176.60 3hw7 s SER 105 N -1.06 -0.64 0.00 -1.43 1.04 -1.26 -2.05 113.70 108.30 3hw7 s SER 105 Ca 0.36 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.40 3hw7 s SER 105 Cb 0.20 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3hw7 s SER 105 CO 0.22 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.39 3hw7 n GLY 106 N 0.75 -0.85 0.35 7.32 0.00 -1.26 -3.88 105.19 107.61 3hw7 n GLY 106 Ca -0.19 -1.22 0.10 0.00 0.00 0.00 0.00 46.02 44.70 3hw7 n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hw7 h GLU 107 N 0.00 0.81 -0.53 1.61 4.57 -2.01 -1.77 114.58 117.25 3hw7 h GLU 107 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hw7 h GLU 107 Cb 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3hw7 h GLU 107 CO 0.00 0.54 0.00 0.66 -1.18 0.00 0.00 179.01 179.03 3hw7 n TYR 108 N -4.72 0.71 -1.74 0.92 4.01 -1.26 -4.98 117.16 110.10 3hw7 n TYR 108 Ca 0.21 -0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3hw7 n TYR 108 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3hw7 n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hw7 n SER 109 N 1.27 3.73 -1.02 7.72 2.88 -0.67 -1.80 113.62 125.75 3hw7 n SER 109 Ca 0.20 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.99 3hw7 n SER 109 Cb 0.53 -1.57 0.19 0.00 -0.75 0.00 0.00 64.21 62.60 3hw7 n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3hw7 n ILE 110 N 2.12 0.49 -1.99 2.46 -5.35 -0.17 -4.87 119.36 112.04 3hw7 n ILE 110 Ca 0.09 -0.74 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 3hw7 n ILE 110 Cb 0.36 0.98 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 3hw7 n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hw7 s ILE 111 N -1.38 2.75 0.00 7.28 -1.09 -1.26 -1.52 121.20 125.98 3hw7 s ILE 111 Ca 0.34 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 3hw7 s ILE 111 Cb 0.20 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 3hw7 s ILE 111 CO 0.28 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3hw7 n GLY 112 N 3.50 0.88 0.21 6.18 0.00 0.65 -4.98 105.19 111.63 3hw7 n GLY 112 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 3hw7 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw7 n ARG 113 N -2.05 1.08 -5.06 1.61 1.74 -0.58 -1.73 116.66 111.67 3hw7 n ARG 113 Ca 0.00 -0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.61 3hw7 n ARG 113 Cb 0.00 -0.01 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 3hw7 n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hw7 s THR 114 N 0.60 1.82 -0.03 0.55 2.01 -0.96 -0.20 115.64 119.43 3hw7 s THR 114 Ca 0.03 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.92 3hw7 s THR 114 Cb -0.00 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3hw7 s THR 114 CO 0.02 0.51 0.65 -0.32 -0.69 0.00 0.00 174.62 174.79 3hw7 s MET 115 N 0.36 4.39 -0.04 4.92 1.75 -0.73 0.75 119.30 130.71 3hw7 s MET 115 Ca -0.16 0.81 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 3hw7 s MET 115 Cb -0.17 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.12 3hw7 s MET 115 CO 0.07 0.22 -0.08 0.08 -0.65 0.00 0.00 175.02 174.67 3hw7 s VAL 116 N 0.27 0.75 -0.10 10.11 1.01 -0.22 -1.99 120.40 130.23 3hw7 s VAL 116 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3hw7 s VAL 116 Cb -0.18 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3hw7 s VAL 116 CO 0.18 0.26 -0.03 0.54 0.00 0.00 0.00 175.10 176.05 3hw7 s VAL 117 N 0.59 4.02 0.35 2.92 0.11 -0.66 -1.51 120.40 126.23 3hw7 s VAL 117 Ca -0.09 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 3hw7 s VAL 117 Cb -0.13 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 3hw7 s VAL 117 CO 0.01 0.57 0.20 -1.00 -3.33 0.00 0.00 175.10 171.56 3hw7 s HIS 118 N -0.54 2.74 0.20 1.54 3.76 0.09 -1.02 115.29 122.06 3hw7 s HIS 118 Ca 0.09 -0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 3hw7 s HIS 118 Cb -0.12 -1.76 0.12 0.00 1.11 0.00 0.00 32.58 31.93 3hw7 s HIS 118 CO 0.02 0.24 1.68 1.05 -0.85 0.00 0.00 174.74 176.88 3hw7 h GLU 119 N 1.42 1.05 -6.01 1.40 4.11 -0.82 -3.37 114.58 112.37 3hw7 h GLU 119 Ca -0.44 -0.31 -0.60 0.00 0.07 0.00 0.00 59.36 58.09 3hw7 h GLU 119 Cb 1.25 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 3hw7 h GLU 119 CO 0.62 1.00 -0.65 0.15 0.07 0.00 0.00 179.01 180.21 3hw7 s LYS 120 N -5.08 1.97 0.43 1.06 1.02 0.05 -4.88 119.74 114.32 3hw7 s LYS 120 Ca -0.11 -1.80 -0.25 0.00 0.02 0.00 0.00 55.97 53.82 3hw7 s LYS 120 Cb 0.14 -1.85 -0.09 0.00 -0.52 0.00 0.00 37.83 35.51 3hw7 s LYS 120 CO 0.85 0.16 1.25 -2.30 -0.92 0.00 0.00 175.35 174.38 3hw7 n PRO 121 N -0.88 1.84 -2.85 -1.68 -0.02 -1.09 -1.36 135.00 128.96 3hw7 n PRO 121 Ca -0.05 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3hw7 n PRO 121 Cb 0.62 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3hw7 n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hw7 s ASP 122 N -0.59 6.94 0.00 2.55 -1.08 -1.26 -3.94 116.67 119.29 3hw7 s ASP 122 Ca 0.62 1.16 0.16 0.00 -0.52 0.00 0.00 52.55 53.98 3hw7 s ASP 122 Cb -0.50 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 39.47 3hw7 s ASP 122 CO 0.57 -0.48 1.47 -0.90 0.52 0.00 0.00 175.17 176.35 3hw7 n ASP 123 N 5.64 0.00 -1.72 -0.34 5.68 0.98 -4.87 116.55 121.91 3hw7 n ASP 123 Ca 0.06 -1.00 -0.16 0.00 -0.50 0.00 0.00 54.79 53.19 3hw7 n ASP 123 Cb 0.48 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.44 3hw7 n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hw7 n LEU 124 N -0.84 -1.63 0.00 -2.12 4.32 -1.26 -1.82 117.00 113.65 3hw7 n LEU 124 Ca 0.12 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 3hw7 n LEU 124 Cb 0.06 -2.36 0.00 0.00 -1.62 0.00 0.00 43.42 39.50 3hw7 n LEU 124 CO 0.09 -0.28 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 3hw7 n GLY 125 N -1.02 0.56 1.11 -0.72 0.00 -1.25 -2.91 105.19 100.96 3hw7 n GLY 125 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3hw7 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw7 n ARG 126 N -2.89 3.28 0.15 1.61 1.74 -0.75 -4.61 116.66 115.20 3hw7 n ARG 126 Ca 0.00 -2.65 0.02 0.00 -0.77 0.00 0.00 57.85 54.46 3hw7 n ARG 126 Cb 0.00 -1.71 0.18 0.00 -1.02 0.00 0.00 32.46 29.91 3hw7 n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hw7 h GLY 127 N 2.77 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 100.34 3hw7 h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hw7 h GLY 127 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.32 3hw7 n GLY 128 N 0.60 0.76 3.88 4.60 0.00 -1.26 -5.02 105.19 108.75 3hw7 n GLY 128 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3hw7 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw7 s ASN 129 N -2.60 4.63 0.22 1.61 2.20 -1.26 -5.03 114.94 114.71 3hw7 s ASN 129 Ca 0.00 -1.19 -0.04 0.00 -0.94 0.00 0.00 52.86 50.69 3hw7 s ASN 129 Cb 0.00 0.22 0.19 0.00 -2.00 0.00 0.00 41.25 39.66 3hw7 s ASN 129 CO 0.00 -0.99 1.64 -0.08 -2.94 0.00 0.00 177.10 174.74 3hw7 h GLU 130 N 0.87 0.80 -0.84 3.55 4.81 -2.01 -2.81 114.58 118.95 3hw7 h GLU 130 Ca -0.38 -0.30 0.11 0.00 -0.13 0.00 0.00 59.36 58.66 3hw7 h GLU 130 Cb 1.29 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 3hw7 h GLU 130 CO 0.59 0.92 0.54 1.49 -0.73 0.00 0.00 179.01 181.83 3hw7 h GLU 131 N 0.71 0.70 -0.76 1.92 4.57 -2.00 -1.57 114.58 118.15 3hw7 h GLU 131 Ca 0.10 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3hw7 h GLU 131 Cb 0.69 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 3hw7 h GLU 131 CO 0.05 0.46 0.50 1.03 -1.18 0.00 0.00 179.01 179.87 3hw7 h SER 132 N 0.72 0.64 0.34 1.04 0.87 -1.84 -0.45 113.55 114.86 3hw7 h SER 132 Ca 0.40 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3hw7 h SER 132 Cb 0.55 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hw7 h SER 132 CO -0.17 0.39 -0.06 0.35 -0.53 0.00 0.00 176.83 176.81 3hw7 n THR 133 N -4.49 0.00 -0.07 2.23 -2.24 -0.59 -1.68 114.28 107.44 3hw7 n THR 133 Ca 0.12 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 3hw7 n THR 133 Cb 0.30 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 3hw7 n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hw7 n LYS 134 N -0.99 0.31 0.00 -0.78 5.02 -0.53 -0.72 118.16 120.47 3hw7 n LYS 134 Ca 0.16 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 3hw7 n LYS 134 Cb 0.25 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3hw7 n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hw7 n THR 135 N -3.27 0.00 -1.55 -0.18 -2.24 -0.29 -4.63 114.28 102.12 3hw7 n THR 135 Ca -0.25 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3hw7 n THR 135 Cb 0.72 1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 70.67 3hw7 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw7 n GLY 136 N 0.01 1.35 2.52 3.38 0.00 -0.67 -2.93 105.19 108.85 3hw7 n GLY 136 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3hw7 n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hw7 n ASN 137 N -0.55 -5.81 0.14 1.61 3.02 -1.26 -0.02 115.26 112.40 3hw7 n ASN 137 Ca -0.16 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.47 3hw7 n ASN 137 Cb 0.52 -4.81 0.40 0.00 -0.61 0.00 0.00 39.78 35.28 3hw7 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw7 h ALA 138 N 1.00 1.00 0.00 5.41 0.00 -1.65 -3.44 119.26 121.58 3hw7 h ALA 138 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hw7 h ALA 138 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hw7 h ALA 138 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3hw7 n GLY 139 N 0.97 -0.21 3.78 0.00 0.00 -1.26 -0.77 105.19 107.70 3hw7 n GLY 139 Ca 0.04 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 3hw7 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw7 s SER 140 N -4.00 4.61 -0.38 1.61 1.04 -1.26 -4.69 113.70 110.63 3hw7 s SER 140 Ca 0.00 1.74 -0.16 0.00 0.48 0.00 0.00 55.95 58.00 3hw7 s SER 140 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3hw7 s SER 140 CO 0.00 -1.96 0.40 -0.13 0.98 0.00 0.00 173.24 172.53 3hw7 s ARG 141 N -4.95 3.34 0.05 4.02 0.52 -1.26 -0.58 118.95 120.09 3hw7 s ARG 141 Ca 0.61 -0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 3hw7 s ARG 141 Cb -0.16 -3.88 -0.31 0.00 0.52 0.00 0.00 34.95 31.11 3hw7 s ARG 141 CO 0.56 -0.68 1.07 -0.07 0.02 0.00 0.00 175.30 176.20 3hw7 h LEU 142 N 8.89 0.85 -7.33 2.53 3.38 -1.38 -3.47 115.31 118.78 3hw7 h LEU 142 Ca -0.28 -0.83 -0.10 0.00 0.09 0.00 0.00 57.88 56.76 3hw7 h LEU 142 Cb 1.13 -0.27 -0.20 0.00 0.09 0.00 0.00 40.66 41.41 3hw7 h LEU 142 CO 0.74 1.64 -0.12 0.00 0.09 0.00 0.00 178.44 180.79 3hw7 s ALA 143 N -2.83 -1.13 0.16 1.53 0.00 -1.19 -3.99 121.76 114.31 3hw7 s ALA 143 Ca -0.09 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 3hw7 s ALA 143 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3hw7 s ALA 143 CO 0.94 -0.29 0.34 0.00 0.00 0.00 0.00 175.76 176.75 3hw7 s GLY 145 N -2.93 -0.37 0.22 0.00 0.00 -0.84 -0.29 107.32 103.11 3hw7 s GLY 145 Ca 0.13 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 3hw7 s GLY 145 CO -0.02 0.69 1.25 0.14 0.00 0.00 0.00 173.10 175.15 3hw7 s VAL 146 N -0.92 3.31 -0.18 1.40 1.01 -1.26 -1.76 120.40 122.00 3hw7 s VAL 146 Ca -0.10 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 3hw7 s VAL 146 Cb -0.03 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3hw7 s VAL 146 CO 0.06 0.20 0.86 -0.63 0.00 0.00 0.00 175.10 175.58 3hw7 s ILE 147 N -0.22 4.85 0.28 2.22 1.01 0.72 -4.49 121.20 125.58 3hw7 s ILE 147 Ca 0.53 1.68 0.11 0.00 0.00 0.00 0.00 60.65 62.97 3hw7 s ILE 147 Cb -0.35 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 3hw7 s ILE 147 CO 0.40 -0.00 -0.17 -0.83 0.00 0.00 0.00 174.94 174.33 3hw7 s GLY 148 N 1.18 1.86 0.18 6.18 0.00 0.49 -0.26 107.32 116.96 3hw7 s GLY 148 Ca 0.39 -1.88 -0.31 0.00 0.00 0.00 0.00 44.72 42.92 3hw7 s GLY 148 CO 0.12 -1.94 1.49 -0.42 0.00 0.00 0.00 173.10 172.34 3hw7 s ILE 149 N -2.60 2.79 0.26 0.90 1.01 -1.26 -0.45 121.20 121.85 3hw7 s ILE 149 Ca 0.29 0.59 0.10 0.00 0.00 0.00 0.00 60.65 61.63 3hw7 s ILE 149 Cb -0.03 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3hw7 s ILE 149 CO 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 174.94 175.12 3hw7 s ALA 150 N 0.83 3.14 -2.00 9.38 0.00 -0.25 -4.75 121.76 128.11 3hw7 s ALA 150 Ca 0.66 -1.66 0.21 0.00 0.00 0.00 0.00 51.96 51.18 3hw7 s ALA 150 Cb -0.42 -0.75 1.28 0.00 0.00 0.00 0.00 23.12 23.23 3hw7 s ALA 150 CO 0.34 0.27 1.66 1.17 0.00 0.00 0.00 175.76 179.20