#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 0.00 -4.17 0.00 -1.04 -1.19 -4.45 114.28 103.43 1hl5 n THR 2 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1hl5 n THR 2 Cb 0.00 -0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.03 0.81 0.16 -2.82 1.02 -1.26 -1.04 119.74 116.63 1hl5 s LYS 3 Ca 0.17 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 55.11 1hl5 s LYS 3 Cb -0.24 -0.81 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 1hl5 s LYS 3 CO 0.11 0.18 0.30 0.00 -0.92 0.00 0.00 175.35 175.02 1hl5 s ALA 4 N -1.31 -0.15 0.03 5.17 0.00 -0.05 -1.26 121.76 124.19 1hl5 s ALA 4 Ca -0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 1hl5 s ALA 4 Cb -0.10 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1hl5 s ALA 4 CO 0.02 -0.65 0.31 0.54 0.00 0.00 0.00 175.76 175.98 1hl5 s VAL 5 N -3.94 0.07 -0.05 0.00 0.11 0.27 -0.88 120.40 115.98 1hl5 s VAL 5 Ca 0.15 -0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1hl5 s VAL 5 Cb 0.03 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1hl5 s VAL 5 CO -0.02 -0.34 0.10 0.00 -3.33 0.00 0.00 175.10 171.51 1hl5 s VAL 7 N 1.40 5.29 -0.13 0.00 1.01 -1.26 -0.53 120.40 126.18 1hl5 s VAL 7 Ca -0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1hl5 s VAL 7 Cb -0.12 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1hl5 s VAL 7 CO -0.05 -0.00 0.37 -0.76 0.00 0.00 0.00 175.10 174.66 1hl5 s LEU 8 N 1.72 4.28 0.07 3.92 2.01 0.48 -3.97 118.68 127.20 1hl5 s LEU 8 Ca 0.06 0.67 -0.07 0.00 0.01 0.00 0.00 54.13 54.80 1hl5 s LEU 8 Cb -0.17 -2.51 -0.01 0.00 0.01 0.00 0.00 46.19 43.51 1hl5 s LEU 8 CO 0.11 0.09 0.13 -0.54 1.01 0.00 0.00 176.35 177.15 1hl5 s LYS 9 N 0.32 0.74 0.00 1.70 1.02 -0.21 -1.77 119.74 121.54 1hl5 s LYS 9 Ca 0.21 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1hl5 s LYS 9 Cb -0.14 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1hl5 s LYS 9 CO 0.07 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1hl5 n GLY 10 N 0.20 3.68 0.17 -3.33 0.00 -1.24 -1.18 105.19 103.49 1hl5 n GLY 10 Ca -0.16 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.58 1.61 3.32 -1.91 -3.47 116.42 115.39 1hl5 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 1hl5 n GLY 12 N 1.18 2.97 0.08 2.75 0.00 -1.26 -5.01 105.19 105.90 1hl5 n GLY 12 Ca 0.02 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.26 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 1.06 -2.76 1.61 -0.04 -1.26 -4.86 135.00 128.74 1hl5 n PRO 13 Ca 0.00 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1hl5 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.06 4.82 0.03 0.52 1.01 -1.26 -4.40 120.40 119.06 1hl5 s VAL 14 Ca 0.44 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 64.10 1hl5 s VAL 14 Cb 0.22 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.40 1hl5 s VAL 14 CO 0.38 0.02 0.51 0.00 0.00 0.00 0.00 175.10 176.01 1hl5 s GLN 15 N 2.00 0.99 0.03 2.72 -2.07 -0.98 -3.66 119.66 118.70 1hl5 s GLN 15 Ca 0.45 -0.18 -0.17 0.00 -1.82 0.00 0.00 55.36 53.64 1hl5 s GLN 15 Cb -0.18 0.45 0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1hl5 s GLN 15 CO 0.16 -0.34 0.79 0.41 -1.32 0.00 0.00 175.29 174.99 1hl5 n GLY 16 N 0.56 0.51 2.85 2.60 0.00 -0.73 -0.63 105.19 110.35 1hl5 n GLY 16 Ca -0.19 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.12 0.44 -0.09 -0.61 1.01 -0.92 -0.38 121.20 118.52 1hl5 s ILE 17 Ca 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1hl5 s ILE 17 Cb -0.01 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1hl5 s ILE 17 CO 0.01 0.22 -0.19 -0.63 0.00 0.00 0.00 174.94 174.35 1hl5 s ILE 18 N 1.20 1.71 0.12 2.92 -1.09 0.31 -2.43 121.20 123.95 1hl5 s ILE 18 Ca -0.07 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1hl5 s ILE 18 Cb -0.14 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 1hl5 s ILE 18 CO -0.02 0.48 0.21 0.20 -1.23 0.00 0.00 174.94 174.59 1hl5 s ASN 19 N 0.51 6.07 -0.03 3.58 -0.87 0.98 -0.33 114.94 124.85 1hl5 s ASN 19 Ca -0.16 0.11 0.02 0.00 -1.57 0.00 0.00 52.86 51.25 1hl5 s ASN 19 Cb -0.17 -1.77 0.01 0.00 -0.02 0.00 0.00 41.25 39.30 1hl5 s ASN 19 CO 0.06 0.10 -0.07 -0.36 -2.57 0.00 0.00 177.10 174.26 1hl5 s PHE 20 N -1.65 0.79 -0.03 2.20 0.40 -0.06 -1.26 117.98 118.38 1hl5 s PHE 20 Ca 0.33 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1hl5 s PHE 20 Cb -0.11 -0.60 0.03 0.00 0.51 0.00 0.00 43.02 42.84 1hl5 s PHE 20 CO 0.26 -0.11 0.02 -2.00 0.70 0.00 0.00 175.22 174.09 1hl5 s GLU 21 N 0.37 0.13 -0.47 0.44 2.12 -0.13 -0.87 118.70 120.29 1hl5 s GLU 21 Ca -0.05 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.48 1hl5 s GLU 21 Cb -0.09 -0.42 0.12 0.00 0.26 0.00 0.00 34.13 34.00 1hl5 s GLU 21 CO 0.00 -0.18 0.20 -1.14 -0.54 0.00 0.00 175.26 173.60 1hl5 s GLN 22 N 1.25 1.85 0.53 4.30 0.74 -0.21 -0.05 119.66 128.07 1hl5 s GLN 22 Ca -0.07 -2.40 0.26 0.00 0.05 0.00 0.00 55.36 53.21 1hl5 s GLN 22 Cb -0.13 -3.31 1.41 0.00 1.10 0.00 0.00 33.01 32.08 1hl5 s GLN 22 CO -0.03 -1.06 1.97 0.87 -0.55 0.00 0.00 175.29 176.49 1hl5 h LYS 23 N 6.86 0.01 0.00 1.67 1.57 -1.81 -3.14 116.57 121.73 1hl5 h LYS 23 Ca -0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hl5 h LYS 23 Cb 0.93 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1hl5 h LYS 23 CO 0.64 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.92 1hl5 n GLU 24 N -4.36 0.00 0.00 3.15 4.71 -1.26 -3.34 120.64 119.54 1hl5 n GLU 24 Ca 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1hl5 n GLU 24 Cb 0.69 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.12 1hl5 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1hl5 n SER 25 N 0.00 0.22 -1.82 1.62 3.41 -1.26 -4.54 113.62 111.25 1hl5 n SER 25 Ca 0.00 0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1hl5 n SER 25 Cb 0.00 -0.22 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.71 3.08 -2.51 4.04 3.02 -1.26 -4.82 115.26 114.10 1hl5 n ASN 26 Ca -0.01 -3.23 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 1hl5 n ASN 26 Cb 0.03 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1hl5 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hl5 n GLY 27 N -0.65 -0.46 3.66 7.41 0.00 -1.26 -5.03 105.19 108.86 1hl5 n GLY 27 Ca 0.26 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1hl5 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hl5 s PRO 28 N -0.16 0.78 -0.14 1.61 0.02 -1.26 -4.82 135.00 131.02 1hl5 s PRO 28 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 61.00 62.02 1hl5 s PRO 28 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1hl5 s PRO 28 CO 0.00 -2.62 -0.19 0.08 -0.33 0.00 0.00 177.00 173.94 1hl5 s VAL 29 N -2.78 2.30 -0.08 3.83 1.01 0.58 -4.42 120.40 120.84 1hl5 s VAL 29 Ca 0.65 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1hl5 s VAL 29 Cb -0.20 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1hl5 s VAL 29 CO 0.59 0.54 0.75 -0.54 0.00 0.00 0.00 175.10 176.43 1hl5 s LYS 30 N 0.80 4.42 -0.11 2.72 1.02 0.93 -1.43 119.74 128.08 1hl5 s LYS 30 Ca -0.07 0.95 0.03 0.00 0.02 0.00 0.00 55.97 56.90 1hl5 s LYS 30 Cb -0.16 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1hl5 s LYS 30 CO -0.01 -0.03 -0.20 0.54 -0.92 0.00 0.00 175.35 174.73 1hl5 s VAL 31 N 1.10 1.83 0.07 3.17 0.11 0.27 -0.95 120.40 126.00 1hl5 s VAL 31 Ca 0.39 -0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 58.32 1hl5 s VAL 31 Cb -0.18 -1.62 0.07 0.00 -1.53 0.00 0.00 36.38 33.12 1hl5 s VAL 31 CO 0.18 0.51 0.62 -1.66 -3.33 0.00 0.00 175.10 171.42 1hl5 s TRP 32 N 0.69 -0.57 -5.00 1.54 -2.14 -0.39 -1.10 118.94 111.97 1hl5 s TRP 32 Ca -0.11 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.29 1hl5 s TRP 32 Cb -0.16 0.48 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 1hl5 s TRP 32 CO 0.02 -0.74 0.00 0.41 -2.66 0.00 0.00 176.95 173.98 1hl5 n GLY 33 N 0.19 -0.19 3.11 3.67 0.00 -0.83 -0.02 105.19 111.12 1hl5 n GLY 33 Ca -0.18 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.09 -0.05 1.61 0.15 -1.02 -0.22 113.70 110.08 1hl5 s SER 34 Ca 0.00 0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.75 1hl5 s SER 34 Cb 0.00 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1hl5 s SER 34 CO 0.00 -0.26 -0.12 -0.63 1.20 0.00 0.00 173.24 173.43 1hl5 s ILE 35 N -0.78 1.09 0.36 6.45 1.01 -0.50 -2.17 121.20 126.66 1hl5 s ILE 35 Ca -0.09 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.16 1hl5 s ILE 35 Cb -0.05 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 1hl5 s ILE 35 CO 0.01 0.33 0.02 -1.59 0.00 0.00 0.00 174.94 173.72 1hl5 s LYS 36 N 0.42 2.05 0.00 2.79 -2.85 0.20 -0.22 119.74 122.13 1hl5 s LYS 36 Ca -0.09 -1.84 0.00 0.00 -1.00 0.00 0.00 55.97 53.04 1hl5 s LYS 36 Cb -0.13 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1hl5 s LYS 36 CO 0.02 0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.96 1hl5 n GLY 37 N -0.97 0.62 3.89 0.59 0.00 -0.23 -2.32 105.19 106.77 1hl5 n GLY 37 Ca -0.04 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 3.78 0.36 0.99 1.43 0.16 -4.49 118.68 120.92 1hl5 s LEU 38 Ca 0.00 0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 53.82 1hl5 s LEU 38 Cb 0.00 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1hl5 s LEU 38 CO 0.00 -0.45 1.02 0.42 0.23 0.00 0.00 176.35 177.57 1hl5 s THR 39 N -2.49 3.87 0.28 5.49 -4.23 -1.26 -3.88 115.64 113.41 1hl5 s THR 39 Ca 0.48 1.51 -0.30 0.00 -1.18 0.00 0.00 61.69 62.20 1hl5 s THR 39 Cb -0.10 -3.81 -0.13 0.00 1.34 0.00 0.00 72.50 69.79 1hl5 s THR 39 CO 0.37 0.08 1.39 1.21 -0.54 0.00 0.00 174.62 177.13 1hl5 n GLU 40 N 0.25 2.14 0.00 3.99 2.13 -1.26 -4.73 120.64 123.16 1hl5 n GLU 40 Ca 0.03 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1hl5 n GLU 40 Cb 0.49 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 1.74 0.38 3.79 8.31 0.00 -0.63 -4.96 105.19 113.83 1hl5 n GLY 41 Ca 0.09 -2.26 -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 4.41 -0.03 0.99 1.43 -1.26 -0.54 118.68 123.68 1hl5 s LEU 42 Ca 0.00 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1hl5 s LEU 42 Cb 0.00 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.54 1hl5 s LEU 42 CO 0.00 0.04 -0.01 -1.00 0.23 0.00 0.00 176.35 175.61 1hl5 s HIS 43 N -1.46 0.42 0.61 0.29 3.76 -0.53 -2.81 115.29 115.57 1hl5 s HIS 43 Ca 0.44 -0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 55.11 1hl5 s HIS 43 Cb -0.19 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 1hl5 s HIS 43 CO 0.24 -0.15 1.20 0.41 -0.85 0.00 0.00 174.74 175.59 1hl5 n GLY 44 N 4.17 0.33 2.70 -2.22 0.00 -0.31 -1.11 105.19 108.75 1hl5 n GLY 44 Ca -0.25 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1hl5 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hl5 s PHE 45 N -1.40 -0.11 0.04 1.61 5.36 0.26 -0.96 117.98 122.78 1hl5 s PHE 45 Ca 0.78 -0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.68 1hl5 s PHE 45 Cb -0.40 -0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.76 1hl5 s PHE 45 CO 0.44 -0.61 0.06 -1.01 -1.46 0.00 0.00 175.22 172.64 1hl5 s HIS 46 N 2.26 0.28 -0.20 10.12 3.76 -0.67 -2.79 115.29 128.04 1hl5 s HIS 46 Ca 0.06 -0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 54.16 1hl5 s HIS 46 Cb -0.16 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 1hl5 s HIS 46 CO -0.14 -0.36 0.42 0.08 -0.85 0.00 0.00 174.74 173.89 1hl5 s VAL 47 N -2.88 5.18 0.27 -0.90 1.01 -0.50 -0.69 120.40 121.88 1hl5 s VAL 47 Ca -0.03 0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1hl5 s VAL 47 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1hl5 s VAL 47 CO -0.06 0.23 0.38 -1.00 0.00 0.00 0.00 175.10 174.66 1hl5 s HIS 48 N 1.40 3.35 0.14 5.22 3.76 0.20 -1.44 115.29 127.91 1hl5 s HIS 48 Ca 0.20 -0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.90 1hl5 s HIS 48 Cb -0.15 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.87 1hl5 s HIS 48 CO 0.08 0.32 1.62 1.49 -0.85 0.00 0.00 174.74 177.40 1hl5 h GLU 49 N 1.10 0.78 -6.05 1.40 4.81 -0.44 -2.77 114.58 113.43 1hl5 h GLU 49 Ca -0.50 -0.22 -0.68 0.00 -0.13 0.00 0.00 59.36 57.83 1hl5 h GLU 49 Cb 1.24 -0.09 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1hl5 h GLU 49 CO 0.59 0.80 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.92 1hl5 s PHE 50 N -5.15 2.96 -0.35 0.92 0.08 -0.01 -4.69 117.98 111.75 1hl5 s PHE 50 Ca -0.13 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.87 1hl5 s PHE 50 Cb 0.11 -1.74 -0.07 0.00 -0.57 0.00 0.00 43.02 40.75 1hl5 s PHE 50 CO 0.80 0.30 3.09 0.41 -0.10 0.00 0.00 175.22 179.72 1hl5 n GLY 51 N 2.35 3.86 3.08 4.36 0.00 -0.94 -3.72 105.19 114.18 1hl5 n GLY 51 Ca -0.18 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 1.04 4.64 -0.21 1.61 -1.08 -1.26 -4.95 116.67 116.46 1hl5 s ASP 52 Ca 0.62 -1.60 0.15 0.00 -0.52 0.00 0.00 52.55 51.20 1hl5 s ASP 52 Cb 0.35 -1.61 0.74 0.00 -1.46 0.00 0.00 42.92 40.93 1hl5 s ASP 52 CO -0.13 -0.27 1.66 -3.20 0.52 0.00 0.00 175.17 173.75 1hl5 n ASN 53 N 4.43 5.19 0.22 -0.34 4.05 -1.26 -3.02 115.26 124.52 1hl5 n ASN 53 Ca -0.09 -2.88 0.06 0.00 0.45 0.00 0.00 54.58 52.12 1hl5 n ASN 53 Cb 0.42 -0.64 0.52 0.00 1.23 0.00 0.00 39.78 41.31 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 3.50 1.07 -0.50 -0.44 1.35 -1.93 -1.75 112.91 114.20 1hl5 h THR 54 Ca 0.00 -0.69 -0.36 0.00 -0.55 0.00 0.00 66.41 64.81 1hl5 h THR 54 Cb 1.79 1.38 -0.26 0.00 -1.73 0.00 0.00 68.15 69.33 1hl5 h THR 54 CO 0.40 0.19 -0.54 0.00 -0.25 0.00 0.00 175.52 175.32 1hl5 n ALA 55 N -2.47 4.63 -0.48 6.62 0.00 -1.26 -5.05 120.51 122.50 1hl5 n ALA 55 Ca -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.85 1hl5 n ALA 55 Cb 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.89 0.12 0.24 0.00 0.00 -0.66 -3.10 105.19 100.90 1hl5 n GLY 56 Ca 0.37 -0.93 0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 1.26 0.00 0.00 2.02 -1.88 -2.59 112.91 111.72 1hl5 h THR 58 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1hl5 h THR 58 Cb 0.36 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1hl5 h THR 58 CO 0.00 0.35 0.00 -1.54 0.37 0.00 0.00 175.52 174.70 1hl5 n SER 59 N -4.27 0.00 0.08 4.18 3.41 -1.14 -2.49 113.62 113.39 1hl5 n SER 59 Ca 0.06 0.18 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1hl5 n SER 59 Cb 0.21 -0.34 0.41 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.34 1.57 -0.24 7.33 0.00 -0.98 -4.54 120.51 122.32 1hl5 n ALA 60 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1hl5 n ALA 60 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.21 -1.01 0.93 0.00 0.00 -1.04 -0.83 105.19 103.04 1hl5 n GLY 61 Ca 0.02 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.05 0.01 -1.97 1.61 -0.04 -1.26 -4.61 135.00 128.70 1hl5 n PRO 62 Ca 0.00 -0.56 -0.39 0.00 -0.04 0.00 0.00 63.50 62.51 1hl5 n PRO 62 Cb 0.00 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.21 2.59 -0.09 0.54 3.76 -1.26 -0.26 115.29 119.36 1hl5 s HIS 63 Ca 0.17 1.41 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1hl5 s HIS 63 Cb -0.01 -3.68 -0.06 0.00 1.11 0.00 0.00 32.58 29.94 1hl5 s HIS 63 CO 0.12 -2.37 1.92 0.12 -0.85 0.00 0.00 174.74 173.68 1hl5 s PHE 64 N -1.33 1.50 -0.40 1.40 5.36 -0.52 -4.45 117.98 119.53 1hl5 s PHE 64 Ca 0.64 0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.78 1hl5 s PHE 64 Cb -0.37 -4.07 0.31 0.00 -0.34 0.00 0.00 43.02 38.54 1hl5 s PHE 64 CO 0.46 -4.45 0.77 -1.71 -1.46 0.00 0.00 175.22 168.83 1hl5 n ASN 65 N 8.72 -0.30 0.10 6.13 5.15 -1.26 -1.27 115.26 132.52 1hl5 n ASN 65 Ca 0.22 -3.10 0.10 0.00 -0.60 0.00 0.00 54.58 51.20 1hl5 n ASN 65 Cb 0.43 0.11 0.43 0.00 -0.53 0.00 0.00 39.78 40.22 1hl5 n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1hl5 n PRO 66 N 0.69 0.13 -0.08 1.20 -0.04 -1.26 -2.10 135.00 133.54 1hl5 n PRO 66 Ca 0.19 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 64.18 1hl5 n PRO 66 Cb 0.63 -1.78 0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1hl5 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hl5 n LEU 67 N -2.02 2.88 -3.65 1.53 4.77 -1.26 -4.99 117.00 114.26 1hl5 n LEU 67 Ca 0.02 -1.24 -0.22 0.00 -0.03 0.00 0.00 56.01 54.53 1hl5 n LEU 67 Cb 0.16 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1hl5 n LEU 67 CO 0.15 0.57 0.07 -1.20 -1.33 0.00 0.00 177.39 175.64 1hl5 n SER 68 N 1.16 -2.96 -4.97 -1.43 7.64 -0.89 -5.00 113.62 107.16 1hl5 n SER 68 Ca 0.14 -0.71 -0.19 0.00 1.01 0.00 0.00 58.87 59.11 1hl5 n SER 68 Cb 0.51 -4.47 0.04 0.00 -1.01 0.00 0.00 64.21 59.28 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 -5.99 2.49 0.50 1.43 1.81 -1.26 -5.12 118.95 112.81 1hl5 s ARG 69 Ca 0.23 -1.24 -0.07 0.00 -1.72 0.00 0.00 55.73 52.93 1hl5 s ARG 69 Cb -0.11 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.73 1hl5 s ARG 69 CO 0.78 -0.67 0.83 0.15 -0.68 0.00 0.00 175.30 175.72 1hl5 s LYS 70 N -4.62 3.58 0.41 3.54 1.02 -1.26 -4.73 119.74 117.67 1hl5 s LYS 70 Ca 0.59 0.33 -0.26 0.00 0.02 0.00 0.00 55.97 56.65 1hl5 s LYS 70 Cb -0.08 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1hl5 s LYS 70 CO 0.37 -0.26 1.32 -1.58 -0.92 0.00 0.00 175.35 174.28 1hl5 s HIS 71 N -2.79 2.79 0.10 3.18 5.65 -0.28 -3.36 115.29 120.58 1hl5 s HIS 71 Ca 0.49 1.39 -0.02 0.00 0.25 0.00 0.00 55.06 57.17 1hl5 s HIS 71 Cb -0.10 -3.70 0.01 0.00 -1.18 0.00 0.00 32.58 27.60 1hl5 s HIS 71 CO 0.45 -2.18 0.17 0.41 -0.65 0.00 0.00 174.74 172.94 1hl5 n GLY 72 N 0.66 2.45 3.95 1.59 0.00 -1.25 -4.31 105.19 108.28 1hl5 n GLY 72 Ca 0.04 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.60 1.65 0.47 -0.02 0.00 -1.21 -4.67 107.32 101.95 1hl5 s GLY 73 Ca 0.07 -1.08 0.15 0.00 0.00 0.00 0.00 44.72 43.86 1hl5 s GLY 73 CO 0.05 -0.85 2.06 -0.56 0.00 0.00 0.00 173.10 173.79 1hl5 h PRO 74 N 0.19 0.24 -0.00 2.90 0.13 -1.85 -1.67 132.00 131.94 1hl5 h PRO 74 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hl5 h PRO 74 Cb 1.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1hl5 h PRO 74 CO 0.56 0.16 -0.10 1.63 -0.23 0.00 0.00 178.00 180.03 1hl5 n LYS 75 N -4.48 0.82 -2.97 0.86 4.76 -1.26 -4.84 118.16 111.05 1hl5 n LYS 75 Ca 0.04 -0.29 -0.35 0.00 -2.87 0.00 0.00 58.31 54.84 1hl5 n LYS 75 Cb 0.24 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.39 7.02 0.11 4.39 1.01 -0.63 -4.96 116.67 121.23 1hl5 s ASP 76 Ca 0.31 1.54 -0.02 0.00 0.71 0.00 0.00 52.55 55.09 1hl5 s ASP 76 Cb 0.20 -2.47 -0.17 0.00 1.01 0.00 0.00 42.92 41.49 1hl5 s ASP 76 CO 0.45 -0.14 1.24 -0.08 0.21 0.00 0.00 175.17 176.85 1hl5 h GLU 77 N 2.70 0.29 -5.63 8.23 4.22 -1.88 -3.38 114.58 119.14 1hl5 h GLU 77 Ca -0.48 -0.39 -0.61 0.00 0.08 0.00 0.00 59.36 57.96 1hl5 h GLU 77 Cb 1.18 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 1hl5 h GLU 77 CO 0.64 1.12 0.71 -2.00 -2.18 0.00 0.00 179.01 177.30 1hl5 s GLU 78 N -2.96 3.18 0.13 1.92 2.56 -1.26 -4.96 118.70 117.32 1hl5 s GLU 78 Ca -0.04 -0.80 -0.19 0.00 0.00 0.00 0.00 54.97 53.95 1hl5 s GLU 78 Cb 0.08 -4.32 0.05 0.00 2.00 0.00 0.00 34.13 31.94 1hl5 s GLU 78 CO 0.86 -1.90 0.48 -0.98 -0.56 0.00 0.00 175.26 173.16 1hl5 s ARG 79 N 4.34 1.14 0.43 4.30 1.04 -1.21 -3.76 118.95 125.24 1hl5 s ARG 79 Ca 0.27 -0.60 -0.22 0.00 -1.04 0.00 0.00 55.73 54.14 1hl5 s ARG 79 Cb -0.13 0.51 -0.09 0.00 -2.04 0.00 0.00 34.95 33.20 1hl5 s ARG 79 CO 0.09 -0.47 1.03 -1.01 -0.04 0.00 0.00 175.30 174.90 1hl5 s HIS 80 N -3.71 3.19 0.31 5.89 3.76 -1.22 -4.69 115.29 118.81 1hl5 s HIS 80 Ca 0.02 1.62 0.04 0.00 -0.15 0.00 0.00 55.06 56.59 1hl5 s HIS 80 Cb 0.01 -3.06 0.66 0.00 1.11 0.00 0.00 32.58 31.30 1hl5 s HIS 80 CO -0.12 -0.60 1.83 0.28 -0.85 0.00 0.00 174.74 175.28 1hl5 h VAL 81 N 1.93 0.85 0.00 -0.90 2.07 -1.83 -1.57 116.25 116.81 1hl5 h VAL 81 Ca -0.49 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1hl5 h VAL 81 Cb 1.21 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1hl5 h VAL 81 CO 0.61 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1hl5 n GLY 82 N -1.37 -0.66 3.52 2.17 0.00 -0.40 -4.38 105.19 104.07 1hl5 n GLY 82 Ca 0.20 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.84 6.39 0.00 1.61 1.01 -0.59 -1.41 116.67 121.83 1hl5 s ASP 83 Ca 0.24 -1.24 0.22 0.00 0.71 0.00 0.00 52.55 52.48 1hl5 s ASP 83 Cb 0.11 -2.51 0.54 0.00 1.01 0.00 0.00 42.92 42.07 1hl5 s ASP 83 CO 0.19 -1.50 1.46 0.18 0.21 0.00 0.00 175.17 175.71 1hl5 n LEU 84 N 8.40 3.41 0.00 1.23 4.77 -1.12 -3.60 117.00 130.09 1hl5 n LEU 84 Ca 0.18 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1hl5 n LEU 84 Cb 0.49 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1hl5 n LEU 84 CO 0.64 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1hl5 n GLY 85 N 1.52 0.38 3.53 -0.72 0.00 -1.21 -4.75 105.19 103.92 1hl5 n GLY 85 Ca 0.21 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 3.97 0.33 1.61 0.01 -1.26 -0.57 114.94 115.02 1hl5 s ASN 86 Ca 0.00 -0.75 0.09 0.00 -0.71 0.00 0.00 52.86 51.49 1hl5 s ASN 86 Cb 0.00 -0.54 -0.05 0.00 0.41 0.00 0.00 41.25 41.07 1hl5 s ASN 86 CO 0.00 0.08 0.02 0.68 -1.51 0.00 0.00 177.10 176.36 1hl5 s VAL 87 N -1.98 2.80 -0.16 1.60 -7.23 -0.27 -4.89 120.40 110.28 1hl5 s VAL 87 Ca 0.26 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1hl5 s VAL 87 Cb -0.07 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1hl5 s VAL 87 CO 0.15 -0.23 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.66 1hl5 s THR 88 N -2.47 2.62 -0.05 5.32 2.01 -1.26 -1.46 115.64 120.34 1hl5 s THR 88 Ca 0.34 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1hl5 s THR 88 Cb -0.02 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1hl5 s THR 88 CO 0.20 0.51 0.12 0.00 -0.69 0.00 0.00 174.62 174.76 1hl5 s ALA 89 N 0.91 3.74 0.99 7.40 0.00 0.30 -3.97 121.76 131.12 1hl5 s ALA 89 Ca -0.04 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 1hl5 s ALA 89 Cb -0.15 -1.77 0.21 0.00 0.00 0.00 0.00 23.12 21.42 1hl5 s ALA 89 CO -0.02 0.67 1.27 -0.25 0.00 0.00 0.00 175.76 177.43 1hl5 n ASP 90 N 1.51 0.14 0.23 0.00 9.92 0.11 -1.60 116.55 126.84 1hl5 n ASP 90 Ca -0.15 -1.48 0.09 0.00 -0.53 0.00 0.00 54.79 52.71 1hl5 n ASP 90 Cb 0.54 -0.97 0.64 0.00 -0.64 0.00 0.00 41.12 40.69 1hl5 n ASP 90 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1hl5 h LYS 91 N 0.00 0.01 -0.49 -1.24 3.64 -1.96 0.40 116.57 116.93 1hl5 h LYS 91 Ca -0.41 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1hl5 h LYS 91 Cb 1.14 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1hl5 h LYS 91 CO 0.29 0.01 0.77 0.22 -2.27 0.00 0.00 179.45 178.47 1hl5 h ASP 92 N 0.01 0.00 0.00 4.20 1.82 -1.93 -3.45 116.42 117.07 1hl5 h ASP 92 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1hl5 h ASP 92 Cb 0.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1hl5 h ASP 92 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1hl5 n GLY 93 N -1.52 0.84 3.55 -0.78 0.00 0.13 -4.75 105.19 102.67 1hl5 n GLY 93 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.32 4.15 -0.28 1.61 1.01 -1.26 0.39 120.40 122.71 1hl5 s VAL 94 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1hl5 s VAL 94 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1hl5 s VAL 94 CO 0.00 0.50 0.03 0.00 0.00 0.00 0.00 175.10 175.63 1hl5 s ALA 95 N 0.22 2.94 -0.23 5.51 0.00 0.70 0.04 121.76 130.94 1hl5 s ALA 95 Ca -0.01 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.31 1hl5 s ALA 95 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1hl5 s ALA 95 CO 0.02 -0.88 0.57 -0.51 0.00 0.00 0.00 175.76 174.96 1hl5 s ASP 96 N 1.44 6.56 -0.15 0.00 -0.00 -1.25 -1.41 116.67 121.86 1hl5 s ASP 96 Ca 0.02 0.68 -0.07 0.00 -0.00 0.00 0.00 52.55 53.18 1hl5 s ASP 96 Cb -0.17 -2.31 -0.04 0.00 -0.00 0.00 0.00 42.92 40.40 1hl5 s ASP 96 CO 0.00 -0.28 0.08 -0.69 -0.00 0.00 0.00 175.17 174.28 1hl5 s VAL 97 N 2.08 4.96 -0.29 -1.27 1.01 0.70 -4.74 120.40 122.85 1hl5 s VAL 97 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1hl5 s VAL 97 Cb -0.16 -3.20 0.18 0.00 0.00 0.00 0.00 36.38 33.21 1hl5 s VAL 97 CO 0.09 0.52 0.57 -0.55 0.00 0.00 0.00 175.10 175.73 1hl5 s SER 98 N -0.18 -1.17 0.02 3.32 0.15 -1.26 -1.96 113.70 112.62 1hl5 s SER 98 Ca 0.08 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.43 1hl5 s SER 98 Cb -0.12 2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 66.18 1hl5 s SER 98 CO 0.01 -0.27 0.01 -0.63 1.20 0.00 0.00 173.24 173.56 1hl5 s ILE 99 N 2.81 0.10 -0.05 6.45 1.01 -0.26 -5.03 121.20 126.25 1hl5 s ILE 99 Ca 0.19 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1hl5 s ILE 99 Cb -0.15 -0.32 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 1hl5 s ILE 99 CO -0.21 -0.47 -0.16 -0.70 0.00 0.00 0.00 174.94 173.40 1hl5 s GLU 100 N -1.47 1.72 -0.04 2.79 2.12 -1.26 -0.57 118.70 121.99 1hl5 s GLU 100 Ca -0.15 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 1hl5 s GLU 100 Cb -0.09 -1.48 0.02 0.00 0.26 0.00 0.00 34.13 32.84 1hl5 s GLU 100 CO -0.00 0.20 0.11 0.34 -0.54 0.00 0.00 175.26 175.36 1hl5 s ASP 101 N 0.15 -0.09 0.00 -1.70 2.15 -0.51 -4.93 116.67 111.74 1hl5 s ASP 101 Ca -0.06 0.21 0.13 0.00 0.43 0.00 0.00 52.55 53.26 1hl5 s ASP 101 Cb -0.12 0.17 0.35 0.00 -0.30 0.00 0.00 42.92 43.02 1hl5 s ASP 101 CO 0.02 -0.08 1.29 -1.20 -0.17 0.00 0.00 175.17 175.03 1hl5 n SER 102 N 3.53 3.06 -0.10 -0.34 7.64 -1.26 -0.31 113.62 125.85 1hl5 n SER 102 Ca -0.19 -1.99 -0.24 0.00 1.01 0.00 0.00 58.87 57.47 1hl5 n SER 102 Cb 0.56 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 1hl5 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1hl5 n VAL 103 N 0.70 1.57 -1.36 0.44 0.31 -1.26 -4.90 118.33 113.83 1hl5 n VAL 103 Ca 0.14 -0.32 -0.32 0.00 -0.01 0.00 0.00 64.34 63.82 1hl5 n VAL 103 Cb 0.45 -1.85 0.09 0.00 -0.91 0.00 0.00 33.84 31.62 1hl5 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hl5 s ILE 104 N -2.47 2.89 0.16 2.52 -4.36 -1.26 -4.86 121.20 113.82 1hl5 s ILE 104 Ca -0.32 0.36 -0.09 0.00 -0.26 0.00 0.00 60.65 60.34 1hl5 s ILE 104 Cb 0.09 -2.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.00 1hl5 s ILE 104 CO 0.59 -0.31 0.28 -0.55 0.24 0.00 0.00 174.94 175.18 1hl5 s SER 105 N -2.75 0.04 0.00 4.36 0.15 -0.96 -4.71 113.70 109.83 1hl5 s SER 105 Ca 0.66 -0.85 0.16 0.00 0.70 0.00 0.00 55.95 56.63 1hl5 s SER 105 Cb -0.21 0.43 0.38 0.00 -1.71 0.00 0.00 66.02 64.91 1hl5 s SER 105 CO 0.50 -0.88 1.30 0.18 1.20 0.00 0.00 173.24 175.54 1hl5 n LEU 106 N -0.20 3.16 -3.56 3.45 4.77 -1.26 -0.63 117.00 122.73 1hl5 n LEU 106 Ca -0.08 -1.76 -0.16 0.00 -0.03 0.00 0.00 56.01 53.98 1hl5 n LEU 106 Cb 0.63 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1hl5 n LEU 106 CO 0.24 0.75 0.34 -0.94 -1.33 0.00 0.00 177.39 176.45 1hl5 s SER 107 N -1.10 -0.53 0.00 -1.43 1.04 -1.26 -4.80 113.70 105.62 1hl5 s SER 107 Ca 0.31 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1hl5 s SER 107 Cb 0.17 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1hl5 s SER 107 CO 0.23 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1hl5 n GLY 108 N 0.68 -1.78 0.24 7.32 0.00 -1.26 -4.11 105.19 106.28 1hl5 n GLY 108 Ca -0.19 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.00 1hl5 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl5 h ASP 109 N 0.00 0.00 -0.56 1.61 -0.00 -2.01 -2.16 116.42 113.31 1hl5 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1hl5 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1hl5 h ASP 109 CO 0.00 0.12 0.00 1.41 -0.00 0.00 0.00 179.24 180.77 1hl5 n HIS 110 N -4.29 1.86 -1.93 0.28 8.25 -1.26 -4.99 115.22 113.14 1hl5 n HIS 110 Ca -0.03 -0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 56.36 1hl5 n HIS 110 Cb 0.19 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 2.68 0.21 -1.84 0.00 -5.35 0.20 -4.90 119.36 110.36 1hl5 n ILE 112 Ca 0.09 -0.61 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 1hl5 n ILE 112 Cb 0.39 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 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 -1.34 2.31 0.00 7.28 -1.09 -1.26 -1.93 121.20 125.17 1hl5 s ILE 113 Ca 0.23 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1hl5 s ILE 113 Cb 0.15 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1hl5 s ILE 113 CO 0.22 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 1hl5 n GLY 114 N 3.59 0.70 2.83 6.18 0.00 0.11 -5.00 105.19 113.60 1hl5 n GLY 114 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.53 0.75 -5.00 1.61 1.74 -0.81 -2.20 116.66 110.21 1hl5 n ARG 115 Ca 0.00 -2.31 -0.32 0.00 -0.77 0.00 0.00 57.85 54.44 1hl5 n ARG 115 Cb 0.00 -0.10 -0.15 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.68 2.59 -0.07 0.55 2.01 -1.04 -0.33 115.64 117.67 1hl5 s THR 116 Ca 0.40 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 1hl5 s THR 116 Cb -0.03 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1hl5 s THR 116 CO 0.26 0.55 0.46 -0.22 -0.69 0.00 0.00 174.62 174.97 1hl5 s LEU 117 N 0.22 4.35 -0.04 4.42 2.96 -0.38 0.59 118.68 130.80 1hl5 s LEU 117 Ca -0.12 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1hl5 s LEU 117 Cb -0.16 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1hl5 s LEU 117 CO 0.06 0.12 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 1hl5 s VAL 118 N 0.01 0.94 -0.12 1.68 1.01 0.13 -1.85 120.40 122.19 1hl5 s VAL 118 Ca 0.25 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1hl5 s VAL 118 Cb -0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1hl5 s VAL 118 CO 0.12 0.29 -0.04 0.54 0.00 0.00 0.00 175.10 176.01 1hl5 s VAL 119 N 0.27 3.94 0.27 2.92 0.11 -0.62 -1.67 120.40 125.61 1hl5 s VAL 119 Ca -0.05 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1hl5 s VAL 119 Cb -0.10 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 1hl5 s VAL 119 CO 0.01 0.54 0.32 -1.00 -3.33 0.00 0.00 175.10 171.64 1hl5 s HIS 120 N -0.11 3.24 0.20 1.54 3.76 -0.13 -0.74 115.29 123.05 1hl5 s HIS 120 Ca 0.02 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 1hl5 s HIS 120 Cb -0.13 -1.62 0.14 0.00 1.11 0.00 0.00 32.58 32.09 1hl5 s HIS 120 CO 0.02 0.36 1.78 1.49 -0.85 0.00 0.00 174.74 177.55 1hl5 h GLU 121 N 1.22 1.11 -5.28 1.40 4.81 -0.84 -3.38 114.58 113.63 1hl5 h GLU 121 Ca -0.49 -0.18 -0.63 0.00 -0.13 0.00 0.00 59.36 57.92 1hl5 h GLU 121 Cb 1.24 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1hl5 h GLU 121 CO 0.59 0.89 -0.54 0.15 -0.73 0.00 0.00 179.01 179.37 1hl5 s LYS 122 N -5.63 2.05 0.38 1.92 1.02 0.29 -4.94 119.74 114.84 1hl5 s LYS 122 Ca -0.13 -2.26 -0.27 0.00 0.02 0.00 0.00 55.97 53.33 1hl5 s LYS 122 Cb 0.15 -1.36 -0.10 0.00 -0.52 0.00 0.00 37.83 36.01 1hl5 s LYS 122 CO 0.82 -0.29 1.35 0.00 -0.92 0.00 0.00 175.35 176.31 1hl5 s ALA 123 N -2.93 3.39 -0.08 5.17 0.00 -1.12 -1.16 121.76 125.03 1hl5 s ALA 123 Ca 0.18 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1hl5 s ALA 123 Cb 0.04 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1hl5 s ALA 123 CO 0.09 -0.84 1.11 0.34 0.00 0.00 0.00 175.76 176.46 1hl5 s ASP 124 N -0.53 7.14 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.95 1hl5 s ASP 124 Ca 0.54 1.67 0.12 0.00 -0.52 0.00 0.00 52.55 54.36 1hl5 s ASP 124 Cb -0.41 -2.56 0.65 0.00 -1.46 0.00 0.00 42.92 39.14 1hl5 s ASP 124 CO 0.53 -0.52 1.43 -0.90 0.52 0.00 0.00 175.17 176.23 1hl5 n ASP 125 N 5.14 0.29 -2.11 -0.34 5.68 0.35 -4.88 116.55 120.68 1hl5 n ASP 125 Ca 0.10 -1.68 -0.20 0.00 -0.50 0.00 0.00 54.79 52.51 1hl5 n ASP 125 Cb 0.47 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.49 -1.81 -0.14 -2.12 4.77 -1.26 -1.77 117.00 114.17 1hl5 n LEU 126 Ca 0.09 0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1hl5 n LEU 126 Cb 0.08 -2.81 -0.01 0.00 -2.33 0.00 0.00 43.42 38.35 1hl5 n LEU 126 CO 0.07 -0.38 -0.02 0.61 -1.33 0.00 0.00 177.39 176.34 1hl5 n GLY 127 N -0.92 0.54 1.16 -0.72 0.00 -1.26 -3.33 105.19 100.66 1hl5 n GLY 127 Ca -0.23 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.74 3.24 0.00 1.61 5.02 -0.73 -4.56 118.16 120.00 1hl5 n LYS 128 Ca -0.02 -2.61 0.14 0.00 -2.02 0.00 0.00 58.31 53.79 1hl5 n LYS 128 Cb 0.08 -1.67 0.47 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.69 -0.34 3.47 0.72 0.00 -1.26 -4.95 105.19 103.52 1hl5 n GLY 129 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.25 1.35 3.91 -0.02 0.00 -1.26 -4.94 105.19 105.48 1hl5 n GLY 130 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.01 5.00 0.21 1.61 4.22 -1.26 -5.03 114.94 116.67 1hl5 s ASN 131 Ca 0.00 -0.86 -0.10 0.00 -2.14 0.00 0.00 52.86 49.76 1hl5 s ASN 131 Cb 0.00 -0.21 0.18 0.00 1.28 0.00 0.00 41.25 42.49 1hl5 s ASN 131 CO 0.00 -0.87 1.86 -0.33 -2.04 0.00 0.00 177.10 175.72 1hl5 h GLU 132 N 0.81 0.88 -0.64 3.55 5.08 -2.01 -2.36 114.58 119.89 1hl5 h GLU 132 Ca -0.38 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1hl5 h GLU 132 Cb 1.28 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1hl5 h GLU 132 CO 0.54 0.58 0.35 1.49 -1.00 0.00 0.00 179.01 180.97 1hl5 h GLU 133 N 0.90 0.88 -0.73 2.33 4.57 -1.98 -2.10 114.58 118.45 1hl5 h GLU 133 Ca 0.28 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1hl5 h GLU 133 Cb -0.02 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 1hl5 h GLU 133 CO -0.09 0.65 0.48 1.03 -1.18 0.00 0.00 179.01 179.90 1hl5 h SER 134 N 0.89 0.74 0.43 1.04 0.87 -1.76 -0.23 113.55 115.53 1hl5 h SER 134 Ca 0.23 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1hl5 h SER 134 Cb 0.02 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1hl5 h SER 134 CO -0.04 0.50 0.00 0.35 -0.53 0.00 0.00 176.83 177.11 1hl5 n THR 135 N -4.46 0.15 -0.05 2.23 -2.24 -0.79 -2.22 114.28 106.89 1hl5 n THR 135 Ca 0.10 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1hl5 n THR 135 Cb 0.16 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.25 0.31 0.00 -0.78 5.02 -0.30 -1.12 118.16 120.03 1hl5 n LYS 136 Ca 0.13 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1hl5 n LYS 136 Cb 0.19 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 -3.86 0.23 -1.31 -0.18 -2.24 -0.25 -4.71 114.28 101.97 1hl5 n THR 137 Ca -0.19 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 1hl5 n THR 137 Cb 0.50 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.12 1.14 2.58 3.38 0.00 -0.94 -2.81 105.19 108.41 1hl5 n GLY 138 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.37 -4.86 0.00 1.61 3.02 -1.25 -0.49 115.26 112.92 1hl5 n ASN 139 Ca -0.11 0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.59 1hl5 n ASN 139 Cb 0.43 -4.06 0.68 0.00 -0.61 0.00 0.00 39.78 36.23 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 -2.43 2.35 -0.35 5.41 0.00 -1.12 -4.74 120.51 119.62 1hl5 n ALA 140 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1hl5 n ALA 140 Cb 0.63 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.94 0.04 3.76 0.00 0.00 -1.26 -0.55 105.19 108.13 1hl5 n GLY 141 Ca 0.13 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 3.50 -0.40 1.61 1.04 -1.26 -4.62 113.70 109.57 1hl5 s SER 142 Ca 0.00 1.13 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 1hl5 s SER 142 Cb 0.00 -1.77 0.02 0.00 0.10 0.00 0.00 66.02 64.37 1hl5 s SER 142 CO 0.00 -2.58 0.28 -0.13 0.98 0.00 0.00 173.24 171.79 1hl5 s ARG 143 N -5.15 2.99 0.03 4.02 0.52 -1.26 -0.72 118.95 119.38 1hl5 s ARG 143 Ca 0.63 -1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 1hl5 s ARG 143 Cb -0.16 -3.93 -0.30 0.00 0.52 0.00 0.00 34.95 31.08 1hl5 s ARG 143 CO 0.55 -0.72 0.98 -0.07 0.02 0.00 0.00 175.30 176.06 1hl5 h LEU 144 N 8.59 0.54 -7.21 2.53 3.38 -1.23 -3.47 115.31 118.44 1hl5 h LEU 144 Ca -0.27 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.01 1hl5 h LEU 144 Cb 1.12 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1hl5 h LEU 144 CO 0.71 1.51 0.04 0.00 0.09 0.00 0.00 178.44 180.79 1hl5 s ALA 145 N -2.62 -1.31 0.24 1.53 0.00 -1.15 -4.09 121.76 114.36 1hl5 s ALA 145 Ca -0.08 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1hl5 s ALA 145 Cb 0.06 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1hl5 s ALA 145 CO 0.89 -0.52 0.60 0.00 0.00 0.00 0.00 175.76 176.73 1hl5 s GLY 147 N -2.93 -0.60 0.13 0.00 0.00 -0.77 -1.04 107.32 102.11 1hl5 s GLY 147 Ca 0.13 0.70 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 1hl5 s GLY 147 CO 0.04 0.33 0.89 0.14 0.00 0.00 0.00 173.10 174.51 1hl5 s VAL 148 N -3.19 4.46 -0.31 1.40 1.01 -1.26 -1.25 120.40 121.26 1hl5 s VAL 148 Ca -0.01 1.93 -0.28 0.00 0.00 0.00 0.00 61.98 63.62 1hl5 s VAL 148 Cb -0.01 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1hl5 s VAL 148 CO -0.08 0.39 1.00 -0.63 0.00 0.00 0.00 175.10 175.77 1hl5 s ILE 149 N -0.37 4.60 0.22 2.22 1.01 0.56 -4.56 121.20 124.87 1hl5 s ILE 149 Ca 0.43 1.63 0.11 0.00 0.00 0.00 0.00 60.65 62.81 1hl5 s ILE 149 Cb -0.23 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1hl5 s ILE 149 CO 0.28 -0.39 -0.15 -0.83 0.00 0.00 0.00 174.94 173.85 1hl5 s GLY 150 N 1.60 1.75 0.23 6.18 0.00 -0.60 0.08 107.32 116.56 1hl5 s GLY 150 Ca 0.42 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 1hl5 s GLY 150 CO 0.14 -1.71 1.50 -0.42 0.00 0.00 0.00 173.10 172.61 1hl5 s ILE 151 N -2.00 2.56 0.30 0.90 1.01 -1.26 -0.56 121.20 122.14 1hl5 s ILE 151 Ca 0.26 0.45 0.10 0.00 0.00 0.00 0.00 60.65 61.45 1hl5 s ILE 151 Cb -0.07 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1hl5 s ILE 151 CO 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 174.94 175.11 1hl5 s ALA 152 N 0.33 3.11 -2.15 9.38 0.00 -0.39 -4.76 121.76 127.28 1hl5 s ALA 152 Ca 0.63 -1.82 0.31 0.00 0.00 0.00 0.00 51.96 51.08 1hl5 s ALA 152 Cb -0.43 -0.52 1.66 0.00 0.00 0.00 0.00 23.12 23.83 1hl5 s ALA 152 CO 0.40 0.18 2.09 0.94 0.00 0.00 0.00 175.76 179.38