#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl5 n THR 2 N 0.00 1.49 -4.12 0.00 -1.04 -0.87 -4.74 114.28 105.00 1hl5 n THR 2 Ca 0.00 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.49 1hl5 n THR 2 Cb 0.00 -0.86 -0.13 0.00 -1.82 0.00 0.00 70.33 67.51 1hl5 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1hl5 s LYS 3 N -0.98 0.46 0.16 -2.82 1.02 -1.26 -1.19 119.74 115.12 1hl5 s LYS 3 Ca 0.66 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1hl5 s LYS 3 Cb -0.78 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1hl5 s LYS 3 CO 0.56 0.09 0.05 0.00 -0.92 0.00 0.00 175.35 175.13 1hl5 s ALA 4 N -0.56 1.12 0.01 5.17 0.00 -0.27 -0.58 121.76 126.65 1hl5 s ALA 4 Ca -0.02 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1hl5 s ALA 4 Cb -0.05 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1hl5 s ALA 4 CO 0.00 -0.44 0.27 0.54 0.00 0.00 0.00 175.76 176.13 1hl5 s VAL 5 N -3.91 0.08 -0.02 0.00 0.11 -0.06 -1.09 120.40 115.51 1hl5 s VAL 5 Ca 0.26 -0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1hl5 s VAL 5 Cb 0.07 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1hl5 s VAL 5 CO 0.04 -0.35 0.04 0.00 -3.33 0.00 0.00 175.10 171.50 1hl5 s VAL 7 N 1.31 5.18 -0.16 0.00 1.01 -1.26 -0.92 120.40 125.56 1hl5 s VAL 7 Ca -0.06 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 1hl5 s VAL 7 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1hl5 s VAL 7 CO -0.03 0.02 0.47 -0.76 0.00 0.00 0.00 175.10 174.80 1hl5 s LEU 8 N 2.02 4.21 0.05 3.92 1.02 0.36 -3.87 118.68 126.39 1hl5 s LEU 8 Ca 0.12 0.71 -0.03 0.00 0.02 0.00 0.00 54.13 54.95 1hl5 s LEU 8 Cb -0.16 -2.66 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 1hl5 s LEU 8 CO 0.11 -0.07 0.03 -0.54 0.02 0.00 0.00 176.35 175.90 1hl5 s LYS 9 N 1.09 0.61 0.00 1.70 1.02 -0.54 -1.65 119.74 121.97 1hl5 s LYS 9 Ca 0.24 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1hl5 s LYS 9 Cb -0.15 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1hl5 s LYS 9 CO 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1hl5 n GLY 10 N 0.40 3.50 0.13 -3.33 0.00 -1.25 -0.80 105.19 103.84 1hl5 n GLY 10 Ca -0.16 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.11 1hl5 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl5 h ASP 11 N 0.00 0.00 -0.37 1.61 3.32 -1.90 -3.47 116.42 115.61 1hl5 h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1hl5 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hl5 h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1hl5 n GLY 12 N 1.26 4.79 0.40 2.75 0.00 -1.26 -5.02 105.19 108.11 1hl5 n GLY 12 Ca 0.05 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1hl5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 13 N 0.00 1.55 -2.63 1.61 -0.04 -1.26 -4.85 135.00 129.37 1hl5 n PRO 13 Ca 0.00 -0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 62.23 1hl5 n PRO 13 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1hl5 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl5 s VAL 14 N -1.93 4.65 -0.00 0.52 1.01 -1.26 -4.31 120.40 119.07 1hl5 s VAL 14 Ca 0.36 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.96 1hl5 s VAL 14 Cb 0.19 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.42 1hl5 s VAL 14 CO 0.30 0.11 0.67 0.00 0.00 0.00 0.00 175.10 176.18 1hl5 s GLN 15 N 1.31 1.10 0.03 2.72 -2.07 -1.05 -3.74 119.66 117.96 1hl5 s GLN 15 Ca 0.53 0.09 -0.22 0.00 -1.82 0.00 0.00 55.36 53.94 1hl5 s GLN 15 Cb -0.22 0.51 0.07 0.00 -1.09 0.00 0.00 33.01 32.28 1hl5 s GLN 15 CO 0.26 -0.38 1.00 0.41 -1.32 0.00 0.00 175.29 175.26 1hl5 n GLY 16 N 0.60 0.42 2.83 2.60 0.00 -0.66 -0.68 105.19 110.29 1hl5 n GLY 16 Ca -0.18 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 1hl5 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hl5 s ILE 17 N -2.07 0.36 -0.09 -0.61 1.01 -0.77 -0.49 121.20 118.54 1hl5 s ILE 17 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.95 1hl5 s ILE 17 Cb -0.01 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1hl5 s ILE 17 CO 0.01 0.21 -0.20 -0.63 0.00 0.00 0.00 174.94 174.33 1hl5 s ILE 18 N 1.31 1.71 0.09 2.92 -1.09 -0.10 -2.22 121.20 123.83 1hl5 s ILE 18 Ca -0.05 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1hl5 s ILE 18 Cb -0.13 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 1hl5 s ILE 18 CO -0.02 0.48 0.15 0.20 -1.23 0.00 0.00 174.94 174.52 1hl5 s ASN 19 N 0.45 5.91 -0.01 3.58 -0.87 0.14 -0.44 114.94 123.70 1hl5 s ASN 19 Ca -0.17 0.10 0.02 0.00 -1.57 0.00 0.00 52.86 51.24 1hl5 s ASN 19 Cb -0.17 -1.69 -0.00 0.00 -0.02 0.00 0.00 41.25 39.36 1hl5 s ASN 19 CO 0.07 0.15 -0.07 -0.36 -2.57 0.00 0.00 177.10 174.31 1hl5 s PHE 20 N -1.51 0.69 -0.05 2.20 0.40 -0.25 -0.91 117.98 118.55 1hl5 s PHE 20 Ca 0.32 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1hl5 s PHE 20 Cb -0.12 -0.46 0.02 0.00 0.51 0.00 0.00 43.02 42.97 1hl5 s PHE 20 CO 0.25 -0.03 0.13 -2.00 0.70 0.00 0.00 175.22 174.28 1hl5 s GLU 21 N -0.10 0.12 -0.14 0.44 2.12 -0.30 -1.12 118.70 119.72 1hl5 s GLU 21 Ca 0.02 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 1hl5 s GLU 21 Cb -0.04 -0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.36 1hl5 s GLU 21 CO -0.00 -0.08 0.01 -1.14 -0.54 0.00 0.00 175.26 173.51 1hl5 s GLN 22 N 0.53 0.75 0.39 4.30 0.74 -0.34 -0.90 119.66 125.13 1hl5 s GLN 22 Ca -0.04 -0.23 0.21 0.00 0.05 0.00 0.00 55.36 55.35 1hl5 s GLN 22 Cb -0.05 -1.67 0.37 0.00 1.10 0.00 0.00 33.01 32.76 1hl5 s GLN 22 CO -0.02 -0.48 1.60 0.87 -0.55 0.00 0.00 175.29 176.70 1hl5 h LYS 23 N 8.26 0.00 -3.32 1.67 1.57 -1.84 -2.28 116.57 120.63 1hl5 h LYS 23 Ca -0.19 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 1hl5 h LYS 23 Cb 1.12 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.21 1hl5 h LYS 23 CO 0.32 0.22 -0.44 -1.21 -0.57 0.00 0.00 179.45 177.77 1hl5 s GLU 24 N -3.20 0.44 0.34 3.15 2.02 -1.26 -3.84 118.70 116.35 1hl5 s GLU 24 Ca 0.05 -0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 1hl5 s GLU 24 Cb 0.07 0.19 -0.12 0.00 0.10 0.00 0.00 34.13 34.37 1hl5 s GLU 24 CO 0.69 -0.10 1.40 -1.13 0.02 0.00 0.00 175.26 176.13 1hl5 n SER 25 N 1.92 3.20 -0.03 -0.19 3.41 -1.26 -1.06 113.62 119.60 1hl5 n SER 25 Ca -0.19 1.20 -0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1hl5 n SER 25 Cb 0.57 -1.53 -0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1hl5 n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hl5 n ASN 26 N 0.97 -5.67 -5.01 4.04 3.02 -1.26 -4.96 115.26 106.38 1hl5 n ASN 26 Ca 0.05 0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.41 1hl5 n ASN 26 Cb 0.36 -3.21 0.07 0.00 -0.61 0.00 0.00 39.78 36.39 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1hl5 s GLY 27 N -2.02 1.70 0.36 7.41 0.00 -0.22 -5.03 107.32 109.53 1hl5 s GLY 27 Ca 0.00 -2.18 -0.27 0.00 0.00 0.00 0.00 44.72 42.26 1hl5 s GLY 27 CO 0.00 -1.68 1.27 -4.14 0.00 0.00 0.00 173.10 168.55 1hl5 s PRO 28 N -4.73 4.22 -0.18 2.90 0.02 -1.26 -4.76 135.00 131.19 1hl5 s PRO 28 Ca 0.63 2.11 -0.06 0.00 0.02 0.00 0.00 61.00 63.70 1hl5 s PRO 28 Cb -0.05 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1hl5 s PRO 28 CO 0.40 -0.27 0.02 0.08 -0.33 0.00 0.00 177.00 176.90 1hl5 s VAL 29 N -1.22 4.26 -0.03 3.83 1.01 0.11 -4.36 120.40 124.00 1hl5 s VAL 29 Ca 0.52 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 1hl5 s VAL 29 Cb -0.37 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1hl5 s VAL 29 CO 0.49 0.45 0.81 -0.75 0.00 0.00 0.00 175.10 176.10 1hl5 s LYS 30 N 0.64 4.49 -0.17 2.72 2.20 -0.08 -1.19 119.74 128.35 1hl5 s LYS 30 Ca 0.01 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.72 1hl5 s LYS 30 Cb -0.14 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 1hl5 s LYS 30 CO 0.02 0.04 -0.19 0.08 -0.36 0.00 0.00 175.35 174.94 1hl5 s VAL 31 N 0.81 1.94 0.05 4.02 1.01 0.13 -1.15 120.40 127.21 1hl5 s VAL 31 Ca 0.43 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1hl5 s VAL 31 Cb -0.19 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1hl5 s VAL 31 CO 0.22 0.52 0.46 -1.66 0.00 0.00 0.00 175.10 174.65 1hl5 s TRP 32 N 1.31 -0.34 -5.00 5.22 -2.14 -0.09 -1.18 118.94 116.72 1hl5 s TRP 32 Ca 0.04 0.32 0.00 0.00 2.66 0.00 0.00 56.10 59.12 1hl5 s TRP 32 Cb -0.13 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.52 1hl5 s TRP 32 CO -0.12 -0.62 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1hl5 n GLY 33 N 0.40 -0.32 2.89 3.67 0.00 -0.76 0.25 105.19 111.33 1hl5 n GLY 33 Ca -0.18 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1hl5 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hl5 s SER 34 N -4.00 0.26 -0.06 1.61 0.15 -0.94 0.18 113.70 110.89 1hl5 s SER 34 Ca 0.00 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1hl5 s SER 34 Cb 0.00 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1hl5 s SER 34 CO 0.00 0.01 -0.14 -0.63 1.20 0.00 0.00 173.24 173.68 1hl5 s ILE 35 N 0.09 1.28 0.43 6.45 1.01 -0.27 -1.85 121.20 128.34 1hl5 s ILE 35 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1hl5 s ILE 35 Cb -0.02 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.24 1hl5 s ILE 35 CO -0.00 0.38 0.01 -1.59 0.00 0.00 0.00 174.94 173.74 1hl5 s LYS 36 N 0.44 2.00 0.00 2.79 -2.85 0.14 -0.18 119.74 122.08 1hl5 s LYS 36 Ca -0.12 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 52.69 1hl5 s LYS 36 Cb -0.14 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 1hl5 s LYS 36 CO 0.04 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.79 1hl5 n GLY 37 N -1.02 0.64 3.92 0.59 0.00 -1.04 -2.52 105.19 105.76 1hl5 n GLY 37 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1hl5 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 38 N 0.00 4.06 0.45 0.99 1.43 -0.89 -4.31 118.68 120.42 1hl5 s LEU 38 Ca 0.00 0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 53.49 1hl5 s LEU 38 Cb 0.00 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 1hl5 s LEU 38 CO 0.00 -0.21 1.06 0.42 0.23 0.00 0.00 176.35 177.86 1hl5 s THR 39 N -2.13 3.64 0.25 5.49 -4.23 -1.26 -3.98 115.64 113.42 1hl5 s THR 39 Ca 0.42 1.14 -0.31 0.00 -1.18 0.00 0.00 61.69 61.76 1hl5 s THR 39 Cb -0.10 -3.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.07 1hl5 s THR 39 CO 0.32 -0.11 1.35 1.21 -0.54 0.00 0.00 174.62 176.85 1hl5 n GLU 40 N -0.57 1.92 0.00 3.99 2.13 -1.26 -4.58 120.64 122.26 1hl5 n GLU 40 Ca 0.07 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1hl5 n GLU 40 Cb 0.51 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1hl5 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl5 n GLY 41 N 1.95 0.29 3.79 8.31 0.00 -0.18 -4.90 105.19 114.45 1hl5 n GLY 41 Ca 0.11 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 1hl5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 42 N 0.00 4.33 -0.02 0.99 1.43 -1.26 -0.32 118.68 123.82 1hl5 s LEU 42 Ca 0.00 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1hl5 s LEU 42 Cb 0.00 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.30 1hl5 s LEU 42 CO 0.00 -0.06 0.02 -1.00 0.23 0.00 0.00 176.35 175.54 1hl5 s HIS 43 N -1.62 0.12 0.61 0.29 3.76 -0.11 -3.08 115.29 115.26 1hl5 s HIS 43 Ca 0.49 0.09 -0.19 0.00 -0.15 0.00 0.00 55.06 55.30 1hl5 s HIS 43 Cb -0.18 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 1hl5 s HIS 43 CO 0.23 -0.10 1.27 0.20 -0.85 0.00 0.00 174.74 175.49 1hl5 s GLY 44 N 1.03 2.82 -0.20 -2.22 0.00 -0.34 -1.07 107.32 107.35 1hl5 s GLY 44 Ca -0.09 1.16 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1hl5 s GLY 44 CO -0.03 1.58 0.24 -0.12 0.00 0.00 0.00 173.10 174.78 1hl5 s PHE 45 N -1.45 -0.36 0.04 1.90 5.36 0.15 -0.69 117.98 122.93 1hl5 s PHE 45 Ca 0.79 0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 57.11 1hl5 s PHE 45 Cb -0.35 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.02 1hl5 s PHE 45 CO 0.38 -0.59 0.02 -1.01 -1.46 0.00 0.00 175.22 172.57 1hl5 s HIS 46 N 2.36 0.33 -0.23 10.12 3.76 -0.64 -2.82 115.29 128.17 1hl5 s HIS 46 Ca 0.07 -0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 54.10 1hl5 s HIS 46 Cb -0.15 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1hl5 s HIS 46 CO -0.12 -0.33 0.42 0.08 -0.85 0.00 0.00 174.74 173.94 1hl5 s VAL 47 N -2.85 5.16 0.29 -0.90 1.01 0.04 -0.38 120.40 122.78 1hl5 s VAL 47 Ca -0.03 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1hl5 s VAL 47 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1hl5 s VAL 47 CO -0.06 0.19 0.45 -1.00 0.00 0.00 0.00 175.10 174.68 1hl5 s HIS 48 N 1.69 3.44 0.15 5.22 3.76 0.18 -1.08 115.29 128.66 1hl5 s HIS 48 Ca 0.19 0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 55.07 1hl5 s HIS 48 Cb -0.15 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.83 1hl5 s HIS 48 CO 0.09 0.27 1.72 1.49 -0.85 0.00 0.00 174.74 177.46 1hl5 h GLU 49 N 0.98 0.69 -5.84 1.40 4.81 -0.37 -2.85 114.58 113.39 1hl5 h GLU 49 Ca -0.51 -0.11 -0.67 0.00 -0.13 0.00 0.00 59.36 57.94 1hl5 h GLU 49 Cb 1.23 -0.12 -0.16 0.00 0.63 0.00 0.00 28.75 30.33 1hl5 h GLU 49 CO 0.61 0.60 -0.63 -0.06 -0.73 0.00 0.00 179.01 178.79 1hl5 s PHE 50 N -5.64 3.13 -0.35 0.92 0.08 0.80 -4.65 117.98 112.27 1hl5 s PHE 50 Ca -0.13 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.96 1hl5 s PHE 50 Cb 0.11 -1.83 -0.14 0.00 -0.57 0.00 0.00 43.02 40.59 1hl5 s PHE 50 CO 0.76 0.36 3.27 0.41 -0.10 0.00 0.00 175.22 179.92 1hl5 n GLY 51 N 2.45 3.61 3.15 4.36 0.00 -1.04 -3.83 105.19 113.88 1hl5 n GLY 51 Ca -0.18 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1hl5 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hl5 s ASP 52 N 1.48 4.87 -0.22 1.61 -1.08 -1.26 -4.96 116.67 117.11 1hl5 s ASP 52 Ca 0.64 -1.41 0.15 0.00 -0.52 0.00 0.00 52.55 51.41 1hl5 s ASP 52 Cb 0.32 -1.70 0.68 0.00 -1.46 0.00 0.00 42.92 40.76 1hl5 s ASP 52 CO -0.07 -0.29 1.60 -3.20 0.52 0.00 0.00 175.17 173.73 1hl5 n ASN 53 N 4.58 4.83 0.25 -0.34 4.05 -1.26 -3.06 115.26 124.30 1hl5 n ASN 53 Ca -0.11 -3.00 0.11 0.00 0.45 0.00 0.00 54.58 52.03 1hl5 n ASN 53 Cb 0.43 -0.63 0.64 0.00 1.23 0.00 0.00 39.78 41.46 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1hl5 h THR 54 N 2.90 0.62 -0.78 -0.44 1.35 -1.93 -1.78 112.91 112.85 1hl5 h THR 54 Ca 0.02 -0.71 -0.50 0.00 -0.55 0.00 0.00 66.41 64.67 1hl5 h THR 54 Cb 1.76 1.45 -0.42 0.00 -1.73 0.00 0.00 68.15 69.21 1hl5 h THR 54 CO 0.38 0.16 -0.87 0.00 -0.25 0.00 0.00 175.52 174.94 1hl5 n ALA 55 N -2.29 4.60 -0.59 6.62 0.00 -1.26 -5.05 120.51 122.55 1hl5 n ALA 55 Ca -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1hl5 n ALA 55 Cb 0.29 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1hl5 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 56 N -0.66 0.40 0.27 0.00 0.00 -0.67 -3.11 105.19 101.43 1hl5 n GLY 56 Ca 0.37 -0.83 0.16 0.00 0.00 0.00 0.00 46.02 45.72 1hl5 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hl5 h THR 58 N 0.00 1.13 0.00 0.00 2.02 -1.89 -2.54 112.91 111.64 1hl5 h THR 58 Ca -0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1hl5 h THR 58 Cb 0.53 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1hl5 h THR 58 CO 0.01 0.21 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 1hl5 n SER 59 N -4.50 0.00 0.10 4.18 3.41 -1.10 -2.80 113.62 112.92 1hl5 n SER 59 Ca 0.13 -1.27 0.12 0.00 -0.26 0.00 0.00 58.87 57.60 1hl5 n SER 59 Cb 0.12 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.53 1hl5 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl5 n ALA 60 N -0.80 1.97 -0.02 7.33 0.00 -0.96 -4.42 120.51 123.62 1hl5 n ALA 60 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1hl5 n ALA 60 Cb 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1hl5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 61 N 0.67 -1.59 1.73 0.00 0.00 -1.12 -0.14 105.19 104.74 1hl5 n GLY 61 Ca 0.04 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1hl5 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 62 N -0.01 -0.42 -2.06 1.61 -0.04 -1.26 -4.63 135.00 128.20 1hl5 n PRO 62 Ca 0.00 -0.98 -0.38 0.00 -0.04 0.00 0.00 63.50 62.10 1hl5 n PRO 62 Cb 0.00 -0.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.91 1hl5 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hl5 s HIS 63 N -2.10 2.69 -0.06 0.54 3.76 -1.26 -0.05 115.29 118.79 1hl5 s HIS 63 Ca 0.33 1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 56.40 1hl5 s HIS 63 Cb -0.01 -3.58 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 1hl5 s HIS 63 CO 0.23 -2.07 2.04 0.12 -0.85 0.00 0.00 174.74 174.20 1hl5 s PHE 64 N -1.40 1.28 -0.42 1.40 5.36 -0.24 -4.43 117.98 119.54 1hl5 s PHE 64 Ca 0.64 -0.06 0.08 0.00 -0.96 0.00 0.00 56.93 56.63 1hl5 s PHE 64 Cb -0.35 -4.12 0.28 0.00 -0.34 0.00 0.00 43.02 38.49 1hl5 s PHE 64 CO 0.42 -4.92 0.75 -1.71 -1.46 0.00 0.00 175.22 168.30 1hl5 n ASN 65 N 9.02 -0.85 0.27 6.13 5.15 -1.26 -1.82 115.26 131.90 1hl5 n ASN 65 Ca 0.23 -3.07 0.14 0.00 -0.60 0.00 0.00 54.58 51.27 1hl5 n ASN 65 Cb 0.43 0.39 0.73 0.00 -0.53 0.00 0.00 39.78 40.80 1hl5 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1hl5 h PRO 66 N 3.63 0.00 -0.71 1.20 0.13 -1.97 -2.47 132.00 131.81 1hl5 h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1hl5 h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1hl5 h PRO 66 CO 0.39 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 1hl5 n LEU 67 N -3.54 4.30 -3.84 1.56 4.77 -1.26 -4.98 117.00 114.01 1hl5 n LEU 67 Ca -0.02 -2.16 -0.29 0.00 -0.03 0.00 0.00 56.01 53.52 1hl5 n LEU 67 Cb 0.25 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1hl5 n LEU 67 CO 0.29 0.92 -0.16 -1.20 -1.33 0.00 0.00 177.39 175.91 1hl5 n SER 68 N 1.46 -2.55 -4.97 -1.43 7.64 -0.93 -4.98 113.62 107.86 1hl5 n SER 68 Ca 0.25 -1.02 -0.20 0.00 1.01 0.00 0.00 58.87 58.91 1hl5 n SER 68 Cb 0.74 -3.15 0.01 0.00 -1.01 0.00 0.00 64.21 60.80 1hl5 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl5 s ARG 69 N -6.35 2.52 0.60 1.43 1.81 -1.26 -5.11 118.95 112.59 1hl5 s ARG 69 Ca 0.22 -1.55 -0.06 0.00 -1.72 0.00 0.00 55.73 52.62 1hl5 s ARG 69 Cb -0.08 -2.54 0.01 0.00 -0.45 0.00 0.00 34.95 31.89 1hl5 s ARG 69 CO 0.88 -0.48 0.92 0.15 -0.68 0.00 0.00 175.30 176.09 1hl5 s LYS 70 N -4.38 2.88 0.47 3.54 1.02 -1.26 -4.75 119.74 117.26 1hl5 s LYS 70 Ca 0.52 0.01 -0.23 0.00 0.02 0.00 0.00 55.97 56.29 1hl5 s LYS 70 Cb -0.06 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 34.93 1hl5 s LYS 70 CO 0.32 -0.75 1.21 -1.58 -0.92 0.00 0.00 175.35 173.63 1hl5 s HIS 71 N -3.03 2.76 0.11 3.18 5.65 0.41 -3.54 115.29 120.83 1hl5 s HIS 71 Ca 0.54 1.49 -0.02 0.00 0.25 0.00 0.00 55.06 57.33 1hl5 s HIS 71 Cb -0.11 -3.49 0.01 0.00 -1.18 0.00 0.00 32.58 27.81 1hl5 s HIS 71 CO 0.45 -1.83 0.18 0.41 -0.65 0.00 0.00 174.74 173.30 1hl5 n GLY 72 N 0.53 2.52 3.94 1.59 0.00 -1.25 -4.38 105.19 108.15 1hl5 n GLY 72 Ca 0.08 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 1hl5 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hl5 s GLY 73 N -1.67 1.72 0.58 -0.02 0.00 -1.19 -4.68 107.32 102.06 1hl5 s GLY 73 Ca 0.08 -1.04 0.36 0.00 0.00 0.00 0.00 44.72 44.12 1hl5 s GLY 73 CO 0.06 -0.70 2.14 -0.56 0.00 0.00 0.00 173.10 174.03 1hl5 h PRO 74 N -0.28 0.00 -0.01 2.90 0.13 -1.85 -2.21 132.00 130.69 1hl5 h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hl5 h PRO 74 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1hl5 h PRO 74 CO 0.57 0.03 -0.18 1.63 -0.23 0.00 0.00 178.00 179.83 1hl5 n LYS 75 N -3.23 0.74 -3.26 0.86 4.76 -1.26 -4.90 118.16 111.88 1hl5 n LYS 75 Ca -0.01 -0.35 -0.37 0.00 -2.87 0.00 0.00 58.31 54.72 1hl5 n LYS 75 Cb 0.21 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 1hl5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1hl5 s ASP 76 N -2.50 6.98 0.22 4.39 1.01 -0.83 -4.97 116.67 120.96 1hl5 s ASP 76 Ca 0.26 1.24 -0.04 0.00 0.71 0.00 0.00 52.55 54.72 1hl5 s ASP 76 Cb 0.20 -2.35 0.21 0.00 1.01 0.00 0.00 42.92 41.98 1hl5 s ASP 76 CO 0.50 0.14 1.66 -0.08 0.21 0.00 0.00 175.17 177.60 1hl5 h GLU 77 N 3.85 0.80 -5.11 8.23 4.81 -1.90 -3.36 114.58 121.90 1hl5 h GLU 77 Ca -0.49 -0.30 -0.67 0.00 -0.13 0.00 0.00 59.36 57.78 1hl5 h GLU 77 Cb 1.20 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 1hl5 h GLU 77 CO 0.65 0.91 0.60 -2.00 -0.73 0.00 0.00 179.01 178.44 1hl5 s GLU 78 N -4.72 3.33 0.15 1.92 2.56 -1.26 -4.96 118.70 115.72 1hl5 s GLU 78 Ca -0.10 -1.36 -0.19 0.00 0.00 0.00 0.00 54.97 53.32 1hl5 s GLU 78 Cb 0.13 -4.55 0.05 0.00 2.00 0.00 0.00 34.13 31.76 1hl5 s GLU 78 CO 0.83 -1.75 0.50 -0.98 -0.56 0.00 0.00 175.26 173.31 1hl5 s ARG 79 N 3.16 1.19 0.44 4.30 1.04 -1.23 -3.83 118.95 124.02 1hl5 s ARG 79 Ca 0.25 -0.61 -0.23 0.00 -1.04 0.00 0.00 55.73 54.11 1hl5 s ARG 79 Cb -0.12 0.53 -0.09 0.00 -2.04 0.00 0.00 34.95 33.23 1hl5 s ARG 79 CO 0.00 -0.50 1.06 -1.01 -0.04 0.00 0.00 175.30 174.82 1hl5 s HIS 80 N -3.78 3.12 0.38 5.89 3.76 -1.23 -4.72 115.29 118.71 1hl5 s HIS 80 Ca 0.02 1.61 0.12 0.00 -0.15 0.00 0.00 55.06 56.66 1hl5 s HIS 80 Cb 0.00 -3.13 0.92 0.00 1.11 0.00 0.00 32.58 31.48 1hl5 s HIS 80 CO -0.12 -0.80 1.86 0.28 -0.85 0.00 0.00 174.74 175.12 1hl5 h VAL 81 N 1.93 0.77 0.00 -0.90 2.07 -1.85 -1.95 116.25 116.31 1hl5 h VAL 81 Ca -0.49 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1hl5 h VAL 81 Cb 1.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1hl5 h VAL 81 CO 0.61 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1hl5 n GLY 82 N -1.46 -0.90 3.55 2.17 0.00 -0.75 -4.38 105.19 103.42 1hl5 n GLY 82 Ca 0.18 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1hl5 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hl5 s ASP 83 N -1.81 6.48 0.00 1.61 1.01 -0.74 -0.78 116.67 122.44 1hl5 s ASP 83 Ca 0.34 -1.40 0.20 0.00 0.71 0.00 0.00 52.55 52.41 1hl5 s ASP 83 Cb 0.16 -2.56 0.53 0.00 1.01 0.00 0.00 42.92 42.06 1hl5 s ASP 83 CO 0.27 -1.51 1.45 0.18 0.21 0.00 0.00 175.17 175.76 1hl5 n LEU 84 N 8.82 3.07 0.00 1.23 4.77 -1.13 -3.44 117.00 130.32 1hl5 n LEU 84 Ca 0.30 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1hl5 n LEU 84 Cb 0.51 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1hl5 n LEU 84 CO 0.66 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1hl5 n GLY 85 N 1.43 0.74 3.58 -0.72 0.00 -1.21 -4.75 105.19 104.25 1hl5 n GLY 85 Ca 0.19 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1hl5 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hl5 s ASN 86 N -4.00 4.25 0.25 1.61 0.01 -1.26 -0.68 114.94 115.11 1hl5 s ASN 86 Ca 0.00 -0.67 0.12 0.00 -0.71 0.00 0.00 52.86 51.60 1hl5 s ASN 86 Cb 0.00 -0.70 -0.05 0.00 0.41 0.00 0.00 41.25 40.92 1hl5 s ASN 86 CO 0.00 0.06 -0.21 0.68 -1.51 0.00 0.00 177.10 176.11 1hl5 s VAL 87 N -2.04 2.42 -0.17 1.60 -7.23 -0.23 -4.91 120.40 109.84 1hl5 s VAL 87 Ca 0.28 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1hl5 s VAL 87 Cb -0.07 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1hl5 s VAL 87 CO 0.17 -0.29 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.62 1hl5 s THR 88 N -2.19 2.61 -0.02 5.32 2.01 -1.26 -0.94 115.64 121.17 1hl5 s THR 88 Ca 0.26 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 1hl5 s THR 88 Cb -0.06 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1hl5 s THR 88 CO 0.13 0.51 0.37 0.00 -0.69 0.00 0.00 174.62 174.94 1hl5 s ALA 89 N 0.99 3.72 0.94 7.40 0.00 0.56 -4.21 121.76 131.16 1hl5 s ALA 89 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 1hl5 s ALA 89 Cb -0.15 -2.33 0.17 0.00 0.00 0.00 0.00 23.12 20.81 1hl5 s ALA 89 CO -0.03 0.50 1.22 0.16 0.00 0.00 0.00 175.76 177.61 1hl5 s ASP 90 N -1.07 3.31 0.44 0.00 1.47 0.38 -1.01 116.67 120.18 1hl5 s ASP 90 Ca 0.23 0.59 0.21 0.00 1.18 0.00 0.00 52.55 54.75 1hl5 s ASP 90 Cb -0.16 -0.88 1.17 0.00 -0.34 0.00 0.00 42.92 42.72 1hl5 s ASP 90 CO 0.12 -2.64 1.85 0.07 0.68 0.00 0.00 175.17 175.25 1hl5 h LYS 91 N -1.57 0.31 -0.04 2.11 5.09 -1.97 0.94 116.57 121.44 1hl5 h LYS 91 Ca -0.46 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.26 1hl5 h LYS 91 Cb 1.29 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.55 1hl5 h LYS 91 CO 0.50 0.20 0.00 -0.40 -2.09 0.00 0.00 179.45 177.66 1hl5 n ASP 92 N -4.48 0.25 0.00 7.07 5.68 -1.26 -4.68 116.55 119.14 1hl5 n ASP 92 Ca 0.20 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1hl5 n ASP 92 Cb 0.79 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1hl5 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hl5 n GLY 93 N 0.70 0.66 3.67 6.12 0.00 0.32 -4.74 105.19 111.92 1hl5 n GLY 93 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1hl5 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hl5 s VAL 94 N -2.17 5.33 -0.32 1.61 1.01 -1.26 -2.09 120.40 122.52 1hl5 s VAL 94 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1hl5 s VAL 94 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1hl5 s VAL 94 CO 0.00 0.33 0.17 0.00 0.00 0.00 0.00 175.10 175.60 1hl5 s ALA 95 N 1.06 3.30 -0.51 5.51 0.00 0.74 -0.47 121.76 131.39 1hl5 s ALA 95 Ca 0.10 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 1hl5 s ALA 95 Cb -0.14 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.61 1hl5 s ALA 95 CO 0.05 -0.97 0.61 -0.51 0.00 0.00 0.00 175.76 174.93 1hl5 s ASP 96 N 1.62 6.22 0.08 0.00 -0.00 -1.26 -1.11 116.67 122.21 1hl5 s ASP 96 Ca 0.04 -0.98 -0.24 0.00 -0.00 0.00 0.00 52.55 51.37 1hl5 s ASP 96 Cb -0.17 -2.28 -0.06 0.00 -0.00 0.00 0.00 42.92 40.40 1hl5 s ASP 96 CO 0.07 -0.88 0.75 -0.69 -0.00 0.00 0.00 175.17 174.41 1hl5 s VAL 97 N 2.54 4.64 -0.28 -1.27 1.01 0.13 -4.88 120.40 122.29 1hl5 s VAL 97 Ca 0.14 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 1hl5 s VAL 97 Cb -0.20 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.25 1hl5 s VAL 97 CO 0.11 0.42 0.51 -0.55 0.00 0.00 0.00 175.10 175.60 1hl5 s SER 98 N -0.42 -0.76 0.02 3.32 0.15 -1.25 -1.84 113.70 112.92 1hl5 s SER 98 Ca 0.37 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1hl5 s SER 98 Cb -0.21 1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.84 1hl5 s SER 98 CO 0.23 -0.27 -0.03 -0.63 1.20 0.00 0.00 173.24 173.73 1hl5 s ILE 99 N 2.74 0.16 -0.05 6.45 1.01 -0.33 -5.01 121.20 126.17 1hl5 s ILE 99 Ca 0.18 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1hl5 s ILE 99 Cb -0.15 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1hl5 s ILE 99 CO -0.19 -0.46 -0.16 -0.70 0.00 0.00 0.00 174.94 173.43 1hl5 s GLU 100 N -1.41 1.86 -0.03 2.79 2.12 -1.26 -0.69 118.70 122.08 1hl5 s GLU 100 Ca -0.15 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.58 1hl5 s GLU 100 Cb -0.10 -1.57 0.01 0.00 0.26 0.00 0.00 34.13 32.74 1hl5 s GLU 100 CO -0.01 0.17 0.08 0.34 -0.54 0.00 0.00 175.26 175.31 1hl5 s ASP 101 N 0.25 -0.08 0.00 -1.70 2.15 -0.33 -4.95 116.67 112.00 1hl5 s ASP 101 Ca -0.08 0.16 0.09 0.00 0.43 0.00 0.00 52.55 53.15 1hl5 s ASP 101 Cb -0.13 0.16 0.13 0.00 -0.30 0.00 0.00 42.92 42.78 1hl5 s ASP 101 CO 0.03 -0.03 0.92 -1.20 -0.17 0.00 0.00 175.17 174.72 1hl5 n SER 102 N 3.09 2.08 0.04 -0.34 7.64 -1.26 0.08 113.62 124.94 1hl5 n SER 102 Ca -0.13 -1.57 -0.22 0.00 1.01 0.00 0.00 58.87 57.96 1hl5 n SER 102 Cb 0.59 -0.06 -0.14 0.00 -1.01 0.00 0.00 64.21 63.59 1hl5 n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1hl5 h VAL 103 N 1.81 1.03 -4.32 0.44 2.07 -1.92 -3.46 116.25 111.90 1hl5 h VAL 103 Ca 0.00 -2.45 -0.51 0.00 0.82 0.00 0.00 66.70 64.56 1hl5 h VAL 103 Cb 0.48 2.77 0.10 0.00 -1.52 0.00 0.00 31.29 33.12 1hl5 h VAL 103 CO 0.00 0.76 0.36 0.27 0.02 0.00 0.00 177.57 178.99 1hl5 s ILE 104 N -2.51 3.93 0.10 4.57 -4.36 -1.26 -4.88 121.20 116.79 1hl5 s ILE 104 Ca -0.18 0.65 -0.08 0.00 -0.26 0.00 0.00 60.65 60.78 1hl5 s ILE 104 Cb 0.04 -3.35 -0.00 0.00 1.25 0.00 0.00 42.46 40.40 1hl5 s ILE 104 CO 0.80 -0.80 0.19 -0.55 0.24 0.00 0.00 174.94 174.83 1hl5 s SER 105 N -3.66 0.12 -0.11 4.36 0.15 -1.00 -4.67 113.70 108.90 1hl5 s SER 105 Ca 0.59 -0.69 0.18 0.00 0.70 0.00 0.00 55.95 56.72 1hl5 s SER 105 Cb -0.15 0.35 0.70 0.00 -1.71 0.00 0.00 66.02 65.21 1hl5 s SER 105 CO 0.53 -0.74 1.61 0.18 1.20 0.00 0.00 173.24 176.02 1hl5 n LEU 106 N -0.07 4.70 -3.50 3.45 4.77 -1.26 -1.36 117.00 123.72 1hl5 n LEU 106 Ca -0.14 -2.47 -0.11 0.00 -0.03 0.00 0.00 56.01 53.26 1hl5 n LEU 106 Cb 0.62 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1hl5 n LEU 106 CO 0.23 0.80 0.61 -0.94 -1.33 0.00 0.00 177.39 176.76 1hl5 s SER 107 N -0.96 -0.45 0.00 -1.43 1.04 -1.26 -4.87 113.70 105.78 1hl5 s SER 107 Ca 0.50 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1hl5 s SER 107 Cb 0.32 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1hl5 s SER 107 CO 0.23 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1hl5 n GLY 108 N 0.04 -1.83 0.18 7.32 0.00 -1.26 -4.21 105.19 105.42 1hl5 n GLY 108 Ca -0.12 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.08 1hl5 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl5 h ASP 109 N 0.00 0.00 -0.54 1.61 3.32 -2.01 -2.90 116.42 115.90 1hl5 h ASP 109 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1hl5 h ASP 109 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1hl5 h ASP 109 CO 0.00 0.39 0.06 1.41 -1.72 0.00 0.00 179.24 179.38 1hl5 n HIS 110 N -3.51 1.92 -2.00 4.55 8.25 -1.26 -4.99 115.22 118.18 1hl5 n HIS 110 Ca -0.00 -0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 56.30 1hl5 n HIS 110 Cb 0.53 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1hl5 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl5 n ILE 112 N 3.96 0.67 -2.25 0.00 -5.35 -0.46 -4.93 119.36 111.00 1hl5 n ILE 112 Ca 0.13 -0.83 -0.41 0.00 -0.27 0.00 0.00 62.75 61.37 1hl5 n ILE 112 Cb 0.40 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 1hl5 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1hl5 s ILE 113 N -1.25 3.10 0.00 7.28 -1.09 -1.26 -1.53 121.20 126.44 1hl5 s ILE 113 Ca 0.38 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1hl5 s ILE 113 Cb 0.21 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1hl5 s ILE 113 CO 0.29 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1hl5 n GLY 114 N 1.47 0.84 2.45 6.18 0.00 -0.10 -5.00 105.19 111.03 1hl5 n GLY 114 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1hl5 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl5 n ARG 115 N -2.08 0.88 -4.69 1.61 1.74 -0.58 -2.51 116.66 111.02 1hl5 n ARG 115 Ca 0.00 -2.10 -0.33 0.00 -0.77 0.00 0.00 57.85 54.65 1hl5 n ARG 115 Cb 0.00 0.06 -0.15 0.00 -1.02 0.00 0.00 32.46 31.36 1hl5 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1hl5 s THR 116 N -1.54 2.84 -0.07 0.55 2.01 -1.08 -0.14 115.64 118.22 1hl5 s THR 116 Ca 0.28 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 1hl5 s THR 116 Cb -0.02 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1hl5 s THR 116 CO 0.18 0.52 0.59 -0.22 -0.69 0.00 0.00 174.62 175.00 1hl5 s LEU 117 N 0.56 4.33 -0.05 4.42 2.96 -0.46 0.49 118.68 130.93 1hl5 s LEU 117 Ca -0.09 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1hl5 s LEU 117 Cb -0.16 -2.91 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 1hl5 s LEU 117 CO 0.04 -0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.17 1hl5 s VAL 118 N 0.45 1.61 -0.12 1.68 1.01 0.49 -2.26 120.40 123.26 1hl5 s VAL 118 Ca 0.32 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1hl5 s VAL 118 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1hl5 s VAL 118 CO 0.15 0.46 -0.06 0.54 0.00 0.00 0.00 175.10 176.19 1hl5 s VAL 119 N 0.00 3.72 0.37 2.92 0.11 -0.58 -1.62 120.40 125.32 1hl5 s VAL 119 Ca -0.04 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 1hl5 s VAL 119 Cb -0.12 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1hl5 s VAL 119 CO 0.03 0.54 0.48 -1.00 -3.33 0.00 0.00 175.10 171.81 1hl5 s HIS 120 N -0.08 2.94 0.13 1.54 3.76 0.13 -1.24 115.29 122.47 1hl5 s HIS 120 Ca 0.01 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 1hl5 s HIS 120 Cb -0.13 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 1hl5 s HIS 120 CO 0.03 -0.15 1.68 1.49 -0.85 0.00 0.00 174.74 176.94 1hl5 h GLU 121 N 0.86 0.57 -5.63 1.40 4.81 -0.55 -3.38 114.58 112.65 1hl5 h GLU 121 Ca -0.43 -0.10 -0.63 0.00 -0.13 0.00 0.00 59.36 58.07 1hl5 h GLU 121 Cb 1.27 -0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 1hl5 h GLU 121 CO 0.51 0.55 -0.60 0.15 -0.73 0.00 0.00 179.01 178.89 1hl5 s LYS 122 N -5.55 1.96 0.39 1.92 1.02 -0.22 -4.92 119.74 114.34 1hl5 s LYS 122 Ca -0.13 -2.11 -0.27 0.00 0.02 0.00 0.00 55.97 53.48 1hl5 s LYS 122 Cb 0.10 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 1hl5 s LYS 122 CO 0.75 -0.07 1.34 0.00 -0.92 0.00 0.00 175.35 176.45 1hl5 s ALA 123 N -2.74 3.34 0.04 5.17 0.00 -1.18 -1.19 121.76 125.20 1hl5 s ALA 123 Ca 0.34 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1hl5 s ALA 123 Cb 0.10 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1hl5 s ALA 123 CO 0.17 -0.86 1.16 0.34 0.00 0.00 0.00 175.76 176.58 1hl5 s ASP 124 N -0.59 7.12 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.86 1hl5 s ASP 124 Ca 0.55 1.94 0.18 0.00 -0.52 0.00 0.00 52.55 54.70 1hl5 s ASP 124 Cb -0.40 -2.58 0.88 0.00 -1.46 0.00 0.00 42.92 39.37 1hl5 s ASP 124 CO 0.52 -0.45 1.59 -0.90 0.52 0.00 0.00 175.17 176.46 1hl5 n ASP 125 N 4.05 0.66 -2.09 -0.34 5.68 0.18 -4.89 116.55 119.79 1hl5 n ASP 125 Ca 0.09 -1.58 -0.20 0.00 -0.50 0.00 0.00 54.79 52.60 1hl5 n ASP 125 Cb 0.47 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 1hl5 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1hl5 n LEU 126 N -0.33 -1.79 0.00 -2.12 4.77 -1.26 -1.77 117.00 114.49 1hl5 n LEU 126 Ca 0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1hl5 n LEU 126 Cb 0.16 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.41 1hl5 n LEU 126 CO 0.11 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 1hl5 n GLY 127 N -0.87 0.55 1.58 -0.72 0.00 -1.25 -3.19 105.19 101.28 1hl5 n GLY 127 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1hl5 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hl5 n LYS 128 N -2.91 4.20 0.00 1.61 5.02 -0.73 -4.51 118.16 120.85 1hl5 n LYS 128 Ca 0.00 -3.02 0.14 0.00 -2.02 0.00 0.00 58.31 53.41 1hl5 n LYS 128 Cb 0.00 -2.08 0.64 0.00 -0.02 0.00 0.00 35.03 33.57 1hl5 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hl5 n GLY 129 N 0.44 -1.16 3.79 0.72 0.00 -1.26 -4.94 105.19 102.78 1hl5 n GLY 129 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1hl5 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hl5 n GLY 130 N 1.32 0.85 3.82 -0.02 0.00 -1.26 -4.93 105.19 104.97 1hl5 n GLY 130 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1hl5 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl5 s ASN 131 N -2.65 4.61 0.27 1.61 2.20 -1.26 -5.03 114.94 114.69 1hl5 s ASN 131 Ca 0.00 -1.09 0.02 0.00 -0.94 0.00 0.00 52.86 50.85 1hl5 s ASN 131 Cb 0.00 -0.17 0.37 0.00 -2.00 0.00 0.00 41.25 39.46 1hl5 s ASN 131 CO 0.00 -0.76 1.69 -0.08 -2.94 0.00 0.00 177.10 175.01 1hl5 h GLU 132 N 1.12 0.48 -0.72 3.55 4.57 -2.00 -2.38 114.58 119.21 1hl5 h GLU 132 Ca -0.41 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 57.62 1hl5 h GLU 132 Cb 1.27 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 1hl5 h GLU 132 CO 0.63 0.73 0.43 1.49 -1.18 0.00 0.00 179.01 181.12 1hl5 h GLU 133 N 0.42 0.80 -1.00 1.92 4.57 -1.98 -2.06 114.58 117.25 1hl5 h GLU 133 Ca 0.06 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1hl5 h GLU 133 Cb 0.73 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.06 1hl5 h GLU 133 CO 0.06 0.53 0.63 1.03 -1.18 0.00 0.00 179.01 180.08 1hl5 h SER 134 N 0.83 0.95 0.42 1.04 0.87 -1.76 0.02 113.55 115.91 1hl5 h SER 134 Ca 0.30 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1hl5 h SER 134 Cb 0.09 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1hl5 h SER 134 CO -0.14 0.54 0.00 0.35 -0.53 0.00 0.00 176.83 177.05 1hl5 n THR 135 N -4.59 0.28 -0.05 2.23 -2.24 -0.79 -2.28 114.28 106.84 1hl5 n THR 135 Ca 0.18 0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1hl5 n THR 135 Cb 0.30 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1hl5 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hl5 n LYS 136 N -1.28 0.23 0.00 -0.78 5.02 -0.16 -0.44 118.16 120.75 1hl5 n LYS 136 Ca 0.11 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1hl5 n LYS 136 Cb 0.18 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1hl5 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hl5 n THR 137 N -3.50 0.00 -1.00 -0.18 -2.24 -0.32 -4.64 114.28 102.40 1hl5 n THR 137 Ca -0.21 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1hl5 n THR 137 Cb 0.63 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1hl5 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hl5 n GLY 138 N 0.39 0.48 2.82 3.38 0.00 -0.97 -3.25 105.19 108.04 1hl5 n GLY 138 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1hl5 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hl5 n ASN 139 N 0.22 -5.26 0.00 1.61 3.02 -1.25 0.49 115.26 114.09 1hl5 n ASN 139 Ca -0.00 -0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.54 1hl5 n ASN 139 Cb 0.02 -4.33 0.77 0.00 -0.61 0.00 0.00 39.78 35.63 1hl5 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hl5 n ALA 140 N -2.92 2.46 -0.38 5.41 0.00 -1.20 -4.76 120.51 119.12 1hl5 n ALA 140 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1hl5 n ALA 140 Cb 0.62 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1hl5 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 141 N 0.82 -0.00 3.73 0.00 0.00 -1.26 -1.06 105.19 107.42 1hl5 n GLY 141 Ca 0.18 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1hl5 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hl5 s SER 142 N -4.00 3.79 -0.47 1.61 1.04 -1.26 -4.60 113.70 109.81 1hl5 s SER 142 Ca 0.00 1.73 -0.17 0.00 0.48 0.00 0.00 55.95 58.00 1hl5 s SER 142 Cb 0.00 -2.39 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1hl5 s SER 142 CO 0.00 -2.48 0.45 -0.13 0.98 0.00 0.00 173.24 172.07 1hl5 s ARG 143 N -4.87 3.04 0.10 4.02 0.52 -1.26 -0.27 118.95 120.22 1hl5 s ARG 143 Ca 0.63 -1.08 -0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1hl5 s ARG 143 Cb -0.18 -4.08 -0.21 0.00 0.52 0.00 0.00 34.95 31.00 1hl5 s ARG 143 CO 0.57 -1.02 1.20 -0.07 0.02 0.00 0.00 175.30 176.00 1hl5 h LEU 144 N 9.05 0.45 -7.12 2.53 3.38 -1.47 -3.47 115.31 118.66 1hl5 h LEU 144 Ca -0.28 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.20 1hl5 h LEU 144 Cb 1.11 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 1hl5 h LEU 144 CO 0.87 1.30 0.10 0.00 0.09 0.00 0.00 178.44 180.80 1hl5 s ALA 145 N -2.86 -1.48 0.22 1.53 0.00 -1.16 -4.01 121.76 114.00 1hl5 s ALA 145 Ca -0.04 0.77 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 1hl5 s ALA 145 Cb 0.08 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.60 1hl5 s ALA 145 CO 0.88 -0.51 0.62 0.00 0.00 0.00 0.00 175.76 176.75 1hl5 s GLY 147 N -2.85 -0.45 0.20 0.00 0.00 -0.96 -1.47 107.32 101.78 1hl5 s GLY 147 Ca 0.07 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 1hl5 s GLY 147 CO -0.02 0.13 0.90 0.14 0.00 0.00 0.00 173.10 174.24 1hl5 s VAL 148 N -3.64 4.23 -0.32 1.40 1.01 -1.26 -1.36 120.40 120.47 1hl5 s VAL 148 Ca 0.05 1.97 -0.28 0.00 0.00 0.00 0.00 61.98 63.72 1hl5 s VAL 148 Cb -0.02 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1hl5 s VAL 148 CO -0.07 0.48 1.05 -0.63 0.00 0.00 0.00 175.10 175.92 1hl5 s ILE 149 N -0.96 4.54 0.21 2.22 1.01 0.80 -4.49 121.20 124.53 1hl5 s ILE 149 Ca 0.40 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.85 1hl5 s ILE 149 Cb -0.25 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 1hl5 s ILE 149 CO 0.30 -0.45 -0.10 -0.83 0.00 0.00 0.00 174.94 173.86 1hl5 s GLY 150 N 1.63 1.73 0.16 6.18 0.00 0.28 -0.92 107.32 116.37 1hl5 s GLY 150 Ca 0.44 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 1hl5 s GLY 150 CO 0.15 -1.61 1.27 -0.42 0.00 0.00 0.00 173.10 172.48 1hl5 s ILE 151 N -1.93 3.46 0.26 0.90 1.01 -1.26 -0.88 121.20 122.76 1hl5 s ILE 151 Ca 0.26 1.16 0.09 0.00 0.00 0.00 0.00 60.65 62.17 1hl5 s ILE 151 Cb -0.08 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1hl5 s ILE 151 CO 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 174.94 175.24 1hl5 s ALA 152 N 0.35 3.14 -2.00 9.38 0.00 0.26 -4.78 121.76 128.11 1hl5 s ALA 152 Ca 0.57 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1hl5 s ALA 152 Cb -0.34 -0.77 0.19 0.00 0.00 0.00 0.00 23.12 22.19 1hl5 s ALA 152 CO 0.35 0.29 0.67 0.94 0.00 0.00 0.00 175.76 178.01