#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl5 s LYS 3 N 0.00 0.68 0.17 -2.82 1.02 -1.26 -1.88 119.74 115.65 1hl5 s LYS 3 Ca 0.00 -0.92 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 1hl5 s LYS 3 Cb 0.00 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1hl5 s LYS 3 CO 0.00 0.09 0.31 0.00 -0.92 0.00 0.00 175.35 174.83 1hl5 s ALA 4 N -1.66 -0.08 0.06 5.17 0.00 -0.64 -1.46 121.76 123.13 1hl5 s ALA 4 Ca -0.04 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1hl5 s ALA 4 Cb -0.08 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1hl5 s ALA 4 CO 0.01 -0.67 0.37 0.54 0.00 0.00 0.00 175.76 176.01 1hl5 s VAL 5 N -3.96 0.07 -0.10 0.00 0.11 0.28 -0.50 120.40 116.30 1hl5 s VAL 5 Ca 0.17 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1hl5 s VAL 5 Cb 0.03 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1hl5 s VAL 5 CO 0.00 -0.31 0.22 0.00 -3.33 0.00 0.00 175.10 171.68 1hl5 s VAL 7 N 1.54 5.24 -0.20 0.00 1.01 -1.26 -0.73 120.40 125.99 1hl5 s VAL 7 Ca -0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1hl5 s VAL 7 Cb -0.11 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1hl5 s VAL 7 CO -0.08 0.02 0.48 -0.76 0.00 0.00 0.00 175.10 174.76 1hl5 s LEU 8 N 1.72 4.15 0.08 3.92 1.02 0.10 -3.97 118.68 125.69 1hl5 s LEU 8 Ca 0.06 0.62 -0.04 0.00 0.02 0.00 0.00 54.13 54.79 1hl5 s LEU 8 Cb -0.17 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.37 1hl5 s LEU 8 CO 0.10 -0.15 0.07 -0.54 0.02 0.00 0.00 176.35 175.86 1hl5 s LYS 9 N 1.53 0.76 0.00 1.70 1.02 -0.62 -1.92 119.74 122.21 1hl5 s LYS 9 Ca 0.22 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1hl5 s LYS 9 Cb -0.15 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1hl5 s LYS 9 CO 0.09 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1hl5 n GLY 10 N 0.01 4.25 0.41 -3.33 0.00 -1.24 -0.77 105.19 104.51 1hl5 n GLY 10 Ca -0.13 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.90 1hl5 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hl5 n ASP 11 N 0.00 1.55 0.00 1.61 8.00 -1.26 -4.92 116.55 121.53 1hl5 n ASP 11 Ca 0.00 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1hl5 n ASP 11 Cb 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1hl5 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl5 n GLY 12 N 1.35 4.65 0.11 0.44 0.00 -1.26 -5.04 105.19 105.43 1hl5 n GLY 12 Ca 0.12 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 0.75 -2.63 1.61 -0.04 -1.26 -4.91 135.00 128.51 1hl5 n PRO 13 Ca 0.00 -0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 1hl5 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.41 4.65 -0.01 0.52 1.01 -1.26 -4.29 120.40 118.61 1hl5 s VAL 14 Ca 0.31 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 64.12 1hl5 s VAL 14 Cb 0.20 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1hl5 s VAL 14 CO 0.45 0.04 0.20 0.00 0.00 0.00 0.00 175.10 175.79 1hl5 s GLN 15 N 1.78 0.51 0.19 2.72 0.00 -0.46 -3.70 119.66 120.70 1hl5 s GLN 15 Ca 0.51 -0.26 -0.23 0.00 -0.00 0.00 0.00 55.36 55.38 1hl5 s GLN 15 Cb -0.21 0.22 0.06 0.00 0.00 0.00 0.00 33.01 33.09 1hl5 s GLN 15 CO 0.22 -0.13 0.96 0.20 0.00 0.00 0.00 175.29 176.54 1hl5 s GLY 16 N -1.21 -0.08 -0.04 2.60 0.00 -0.81 0.27 107.32 108.06 1hl5 s GLY 16 Ca -0.13 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.50 1hl5 s GLY 16 CO 0.02 0.64 -0.04 -0.42 0.00 0.00 0.00 173.10 173.31 1hl5 s ILE 17 N -2.92 0.45 -0.06 0.90 1.01 -0.68 -0.73 121.20 119.17 1hl5 s ILE 17 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1hl5 s ILE 17 Cb -0.02 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.98 1hl5 s ILE 17 CO 0.04 0.20 -0.12 -0.63 0.00 0.00 0.00 174.94 174.43 1hl5 s ILE 18 N 0.83 1.08 0.01 2.92 -1.09 0.10 -1.74 121.20 123.31 1hl5 s ILE 18 Ca -0.10 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 57.87 1hl5 s ILE 18 Cb -0.13 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.72 1hl5 s ILE 18 CO -0.00 0.34 0.03 0.20 -1.23 0.00 0.00 174.94 174.28 1hl5 s ASN 19 N 0.59 5.32 0.07 3.58 -0.87 0.12 -0.79 114.94 122.96 1hl5 s ASN 19 Ca -0.13 0.03 0.08 0.00 -1.57 0.00 0.00 52.86 51.28 1hl5 s ASN 19 Cb -0.15 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.25 39.62 1hl5 s ASN 19 CO 0.03 0.26 -0.23 -0.36 -2.57 0.00 0.00 177.10 174.24 1hl5 s PHE 20 N -1.16 1.96 -0.11 2.20 0.40 0.34 -1.13 117.98 120.48 1hl5 s PHE 20 Ca 0.22 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1hl5 s PHE 20 Cb -0.12 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.33 1hl5 s PHE 20 CO 0.13 0.17 0.27 -2.00 0.70 0.00 0.00 175.22 174.48 1hl5 s GLU 21 N -1.53 0.24 -0.18 0.44 2.12 -0.30 -1.63 118.70 117.85 1hl5 s GLU 21 Ca 0.09 0.54 -0.02 0.00 0.36 0.00 0.00 54.97 55.93 1hl5 s GLU 21 Cb -0.10 -0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.27 1hl5 s GLU 21 CO 0.03 -0.15 0.02 -1.14 -0.54 0.00 0.00 175.26 173.48 1hl5 s GLN 22 N 1.15 0.78 0.14 4.30 0.74 -0.79 -0.52 119.66 125.46 1hl5 s GLN 22 Ca -0.08 -0.43 -0.09 0.00 0.05 0.00 0.00 55.36 54.81 1hl5 s GLN 22 Cb -0.09 -2.05 -0.06 0.00 1.10 0.00 0.00 33.01 31.91 1hl5 s GLN 22 CO -0.08 -0.59 1.39 0.87 -0.55 0.00 0.00 175.29 176.33 1hl5 h LYS 23 N 8.22 0.74 -5.95 1.67 1.57 -1.84 -3.23 116.57 117.75 1hl5 h LYS 23 Ca -0.17 -0.53 -0.52 0.00 -1.87 0.00 0.00 60.65 57.56 1hl5 h LYS 23 Cb 1.12 0.09 -0.20 0.00 0.08 0.00 0.00 32.23 33.31 1hl5 h LYS 23 CO 0.34 1.15 -0.80 -1.21 -0.57 0.00 0.00 179.45 178.36 1hl5 s GLU 24 N -3.91 1.14 0.11 3.15 2.02 -1.26 -4.84 118.70 115.11 1hl5 s GLU 24 Ca -0.09 -1.24 -0.34 0.00 0.02 0.00 0.00 54.97 53.32 1hl5 s GLU 24 Cb 0.10 -1.27 -0.13 0.00 0.10 0.00 0.00 34.13 32.92 1hl5 s GLU 24 CO 0.88 0.28 1.66 0.45 0.02 0.00 0.00 175.26 178.55 1hl5 n SER 25 N 0.78 3.24 -0.22 -0.19 2.88 -1.26 -0.90 113.62 117.94 1hl5 n SER 25 Ca -0.17 1.05 -0.03 0.00 -1.33 0.00 0.00 58.87 58.40 1hl5 n SER 25 Cb 0.55 -1.42 -0.01 0.00 -0.75 0.00 0.00 64.21 62.57 1hl5 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hl5 n ASN 26 N 4.21 -5.05 -4.37 -3.46 2.85 -1.26 -4.97 115.26 103.20 1hl5 n ASN 26 Ca 0.18 0.07 -0.22 0.00 -0.11 0.00 0.00 54.58 54.50 1hl5 n ASN 26 Cb 0.29 -2.81 0.12 0.00 1.24 0.00 0.00 39.78 38.63 1hl5 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hl5 n GLY 27 N -0.37 0.47 3.76 8.20 0.00 -0.08 -5.04 105.19 112.13 1hl5 n GLY 27 Ca -0.03 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 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 -5.04 3.48 -0.20 1.61 0.02 -1.26 -4.86 135.00 128.74 1hl5 s PRO 28 Ca 0.64 2.18 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 1hl5 s PRO 28 Cb -0.03 -2.44 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 1hl5 s PRO 28 CO 0.43 -0.90 -0.03 0.08 -0.33 0.00 0.00 177.00 176.24 1hl5 s VAL 29 N -1.32 3.62 0.03 3.83 1.01 0.58 -4.29 120.40 123.86 1hl5 s VAL 29 Ca 0.66 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1hl5 s VAL 29 Cb -0.39 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1hl5 s VAL 29 CO 0.47 0.44 0.70 -0.54 0.00 0.00 0.00 175.10 176.17 1hl5 s LYS 30 N 1.10 4.43 -0.10 2.72 1.02 0.32 -1.01 119.74 128.22 1hl5 s LYS 30 Ca 0.02 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1hl5 s LYS 30 Cb -0.15 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1hl5 s LYS 30 CO 0.00 0.32 -0.09 0.14 -0.92 0.00 0.00 175.35 174.81 1hl5 s VAL 31 N -0.14 1.03 0.05 3.17 -7.23 0.24 -1.15 120.40 116.37 1hl5 s VAL 31 Ca 0.36 -0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 60.03 1hl5 s VAL 31 Cb -0.20 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.76 1hl5 s VAL 31 CO 0.21 0.36 0.39 -1.66 -0.31 0.00 0.00 175.10 174.08 1hl5 s TRP 32 N 1.39 -0.23 -5.00 2.82 -2.14 -0.28 0.13 118.94 115.62 1hl5 s TRP 32 Ca -0.01 0.14 0.00 0.00 2.66 0.00 0.00 56.10 58.89 1hl5 s TRP 32 Cb -0.14 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1hl5 s TRP 32 CO -0.05 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 1hl5 n GLY 33 N 0.44 -0.40 3.10 3.67 0.00 -0.29 0.12 105.19 111.82 1hl5 n GLY 33 Ca -0.18 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.05 -0.04 1.61 0.15 -0.71 -0.61 113.70 110.04 1hl5 s SER 34 Ca 0.00 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.66 1hl5 s SER 34 Cb 0.00 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1hl5 s SER 34 CO 0.00 -0.28 -0.10 -0.63 1.20 0.00 0.00 173.24 173.43 1hl5 s ILE 35 N -0.91 0.91 0.39 6.45 1.01 -0.45 -1.69 121.20 126.90 1hl5 s ILE 35 Ca -0.10 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1hl5 s ILE 35 Cb -0.05 -0.83 -0.08 0.00 0.01 0.00 0.00 42.46 41.51 1hl5 s ILE 35 CO 0.01 0.29 -0.01 -1.59 0.00 0.00 0.00 174.94 173.65 1hl5 s LYS 36 N 0.47 1.90 0.00 2.79 -2.85 0.14 -0.25 119.74 121.94 1hl5 s LYS 36 Ca -0.09 -2.06 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1hl5 s LYS 36 Cb -0.12 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 1hl5 s LYS 36 CO 0.02 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1hl5 n GLY 37 N -0.91 0.56 3.93 0.59 0.00 -0.98 -1.36 105.19 107.02 1hl5 n GLY 37 Ca -0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 4.34 0.48 0.99 1.43 -0.87 -4.21 118.68 120.83 1hl5 s LEU 38 Ca 0.00 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1hl5 s LEU 38 Cb 0.00 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 1hl5 s LEU 38 CO 0.00 0.11 1.12 0.42 0.23 0.00 0.00 176.35 178.23 1hl5 s THR 39 N -1.62 3.32 0.36 5.49 -4.23 -1.26 -4.03 115.64 113.66 1hl5 s THR 39 Ca 0.35 0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 61.50 1hl5 s THR 39 Cb -0.12 -3.43 -0.12 0.00 1.34 0.00 0.00 72.50 70.17 1hl5 s THR 39 CO 0.28 -0.08 1.38 1.21 -0.54 0.00 0.00 174.62 176.86 1hl5 n GLU 40 N -0.73 2.37 0.00 3.99 2.13 -1.26 -4.63 120.64 122.51 1hl5 n GLU 40 Ca 0.08 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.74 1hl5 n GLU 40 Cb 0.50 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.73 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 0.63 0.14 3.83 8.31 0.00 -0.59 -4.93 105.19 112.58 1hl5 n GLY 41 Ca 0.03 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 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 4.35 -0.03 0.99 1.43 -1.26 -0.81 118.68 123.34 1hl5 s LEU 42 Ca 0.00 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1hl5 s LEU 42 Cb 0.00 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1hl5 s LEU 42 CO 0.00 0.07 0.05 -1.00 0.23 0.00 0.00 176.35 175.71 1hl5 s HIS 43 N -1.48 0.02 0.55 0.29 3.76 -0.37 -2.98 115.29 115.08 1hl5 s HIS 43 Ca 0.40 0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 55.32 1hl5 s HIS 43 Cb -0.16 -0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.15 1hl5 s HIS 43 CO 0.20 -0.14 1.09 0.41 -0.85 0.00 0.00 174.74 175.45 1hl5 n GLY 44 N 4.66 0.03 2.69 -2.22 0.00 -0.53 -1.03 105.19 108.80 1hl5 n GLY 44 Ca -0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 0.04 1.61 5.36 0.40 -0.80 117.98 123.09 1hl5 s PHE 45 Ca 0.72 -0.02 -0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1hl5 s PHE 45 Cb -0.44 -0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.71 1hl5 s PHE 45 CO 0.49 -0.59 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.62 1hl5 s HIS 46 N 2.26 0.46 -0.26 10.12 3.76 -0.64 -2.47 115.29 128.52 1hl5 s HIS 46 Ca 0.05 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 53.97 1hl5 s HIS 46 Cb -0.16 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 1hl5 s HIS 46 CO -0.13 -0.27 0.48 0.08 -0.85 0.00 0.00 174.74 174.06 1hl5 s VAL 47 N -2.81 5.09 0.34 -0.90 1.01 0.20 -0.39 120.40 122.94 1hl5 s VAL 47 Ca -0.02 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1hl5 s VAL 47 Cb -0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1hl5 s VAL 47 CO -0.06 0.10 0.52 -1.00 0.00 0.00 0.00 175.10 174.67 1hl5 s HIS 48 N 2.26 3.44 0.09 5.22 3.76 0.18 -1.00 115.29 129.25 1hl5 s HIS 48 Ca 0.20 0.24 -0.19 0.00 -0.15 0.00 0.00 55.06 55.16 1hl5 s HIS 48 Cb -0.16 -1.89 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 1hl5 s HIS 48 CO 0.09 0.12 1.58 1.49 -0.85 0.00 0.00 174.74 177.18 1hl5 h GLU 49 N 0.79 0.41 -5.92 1.40 4.81 -0.61 -2.62 114.58 112.84 1hl5 h GLU 49 Ca -0.50 -0.10 -0.67 0.00 -0.13 0.00 0.00 59.36 57.96 1hl5 h GLU 49 Cb 1.23 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1hl5 h GLU 49 CO 0.60 0.52 -0.58 -0.06 -0.73 0.00 0.00 179.01 178.76 1hl5 s PHE 50 N -5.27 3.28 -0.55 0.92 0.08 -0.23 -4.63 117.98 111.58 1hl5 s PHE 50 Ca -0.14 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 1hl5 s PHE 50 Cb 0.08 -1.80 0.13 0.00 -0.57 0.00 0.00 43.02 40.85 1hl5 s PHE 50 CO 0.73 0.54 2.60 0.41 -0.10 0.00 0.00 175.22 179.41 1hl5 n GLY 51 N 1.84 4.62 3.18 4.36 0.00 -1.05 -3.53 105.19 114.62 1hl5 n GLY 51 Ca -0.17 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 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 0.03 5.04 -0.08 1.61 -1.08 -1.26 -4.96 116.67 115.96 1hl5 s ASP 52 Ca 0.57 -1.39 0.16 0.00 -0.52 0.00 0.00 52.55 51.38 1hl5 s ASP 52 Cb 0.40 -1.76 0.55 0.00 -1.46 0.00 0.00 42.92 40.64 1hl5 s ASP 52 CO -0.27 -0.33 1.46 -3.20 0.52 0.00 0.00 175.17 173.36 1hl5 n ASN 53 N 4.65 3.95 0.11 -0.34 4.05 -1.26 -2.65 115.26 123.77 1hl5 n ASN 53 Ca -0.11 -2.40 0.04 0.00 0.45 0.00 0.00 54.58 52.57 1hl5 n ASN 53 Cb 0.43 -0.46 0.47 0.00 1.23 0.00 0.00 39.78 41.45 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 2.97 1.10 -1.03 -0.44 1.35 -1.93 -2.14 112.91 112.80 1hl5 h THR 54 Ca 0.00 -0.36 -0.60 0.00 -0.55 0.00 0.00 66.41 64.90 1hl5 h THR 54 Cb 1.19 0.89 -0.39 0.00 -1.73 0.00 0.00 68.15 68.12 1hl5 h THR 54 CO 0.14 0.13 -0.32 0.00 -0.25 0.00 0.00 175.52 175.22 1hl5 n ALA 55 N -2.50 5.41 -0.53 6.62 0.00 -1.26 -5.05 120.51 123.20 1hl5 n ALA 55 Ca 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1hl5 n ALA 55 Cb 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.70 0.25 0.23 0.00 0.00 -0.80 -3.50 105.19 100.67 1hl5 n GLY 56 Ca 0.48 -0.88 0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 1.21 0.00 0.00 2.02 -1.89 -2.56 112.91 111.69 1hl5 h THR 58 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1hl5 h THR 58 Cb 0.53 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1hl5 h THR 58 CO 0.00 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.63 1hl5 n SER 59 N -4.28 0.00 0.09 4.18 3.41 -1.12 -2.78 113.62 113.12 1hl5 n SER 59 Ca 0.03 -0.54 0.11 0.00 -0.26 0.00 0.00 58.87 58.20 1hl5 n SER 59 Cb 0.23 -0.09 0.44 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.09 1.72 -0.19 7.33 0.00 -0.96 -4.44 120.51 122.88 1hl5 n ALA 60 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1hl5 n ALA 60 Cb 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.13 -1.26 2.63 0.00 0.00 -1.12 -1.06 105.19 104.51 1hl5 n GLY 61 Ca 0.03 -1.25 -0.19 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 -0.10 -0.61 -1.96 1.61 -0.04 -1.26 -4.60 135.00 128.03 1hl5 n PRO 62 Ca 0.00 -1.52 -0.39 0.00 -0.04 0.00 0.00 63.50 61.55 1hl5 n PRO 62 Cb 0.00 -0.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.72 2.60 -0.08 0.54 3.76 -1.26 -0.61 115.29 117.51 1hl5 s HIS 63 Ca 0.50 1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 56.51 1hl5 s HIS 63 Cb -0.02 -3.70 -0.06 0.00 1.11 0.00 0.00 32.58 29.90 1hl5 s HIS 63 CO 0.34 -2.39 1.91 0.12 -0.85 0.00 0.00 174.74 173.87 1hl5 s PHE 64 N -1.31 1.51 -0.41 1.40 5.36 -0.17 -4.49 117.98 119.86 1hl5 s PHE 64 Ca 0.63 0.02 0.09 0.00 -0.96 0.00 0.00 56.93 56.72 1hl5 s PHE 64 Cb -0.38 -4.08 0.31 0.00 -0.34 0.00 0.00 43.02 38.53 1hl5 s PHE 64 CO 0.47 -4.54 0.82 -1.71 -1.46 0.00 0.00 175.22 168.80 1hl5 n ASN 65 N 8.50 -0.60 0.24 6.13 5.15 -1.26 -1.54 115.26 131.87 1hl5 n ASN 65 Ca 0.21 -3.18 0.16 0.00 -0.60 0.00 0.00 54.58 51.18 1hl5 n ASN 65 Cb 0.43 0.36 0.73 0.00 -0.53 0.00 0.00 39.78 40.77 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 3.31 0.00 -0.59 1.20 0.13 -1.93 -1.87 132.00 132.25 1hl5 h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1hl5 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1hl5 h PRO 66 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 1hl5 n LEU 67 N -2.75 3.39 -3.87 1.56 4.77 -1.26 -4.97 117.00 113.87 1hl5 n LEU 67 Ca 0.00 -1.65 -0.25 0.00 -0.03 0.00 0.00 56.01 54.08 1hl5 n LEU 67 Cb 0.20 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1hl5 n LEU 67 CO 0.21 0.83 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.75 1hl5 n SER 68 N 1.37 -0.99 -4.99 -1.43 7.64 -0.70 -4.99 113.62 109.53 1hl5 n SER 68 Ca 0.21 -0.93 -0.19 0.00 1.01 0.00 0.00 58.87 58.98 1hl5 n SER 68 Cb 0.55 -3.45 0.02 0.00 -1.01 0.00 0.00 64.21 60.31 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 -6.36 2.59 0.56 1.43 0.52 -1.26 -5.12 118.95 111.31 1hl5 s ARG 69 Ca 0.07 -1.45 -0.08 0.00 -0.52 0.00 0.00 55.73 53.76 1hl5 s ARG 69 Cb -0.04 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1hl5 s ARG 69 CO 0.86 -0.46 0.90 0.15 0.02 0.00 0.00 175.30 176.77 1hl5 s LYS 70 N -4.41 3.43 0.38 3.54 1.02 -1.26 -4.74 119.74 117.71 1hl5 s LYS 70 Ca 0.55 0.37 -0.27 0.00 0.02 0.00 0.00 55.97 56.64 1hl5 s LYS 70 Cb -0.07 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1hl5 s LYS 70 CO 0.33 -0.45 1.40 -1.58 -0.92 0.00 0.00 175.35 174.14 1hl5 s HIS 71 N -2.96 2.73 0.37 3.18 5.65 -0.10 -3.30 115.29 120.86 1hl5 s HIS 71 Ca 0.51 1.29 -0.04 0.00 0.25 0.00 0.00 55.06 57.08 1hl5 s HIS 71 Cb -0.11 -3.86 0.01 0.00 -1.18 0.00 0.00 32.58 27.45 1hl5 s HIS 71 CO 0.48 -2.53 0.54 0.20 -0.65 0.00 0.00 174.74 172.79 1hl5 s GLY 72 N -0.40 1.38 0.61 1.59 0.00 -1.25 -4.33 107.32 104.93 1hl5 s GLY 72 Ca 0.54 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 1hl5 s GLY 72 CO 0.57 -0.90 0.91 -0.32 0.00 0.00 0.00 173.10 173.36 1hl5 s GLY 73 N -3.23 1.65 0.51 0.20 0.00 -1.18 -4.69 107.32 100.58 1hl5 s GLY 73 Ca 0.28 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.36 1hl5 s GLY 73 CO 0.20 -0.54 2.03 -0.56 0.00 0.00 0.00 173.10 174.23 1hl5 h PRO 74 N -0.24 0.08 0.00 2.90 0.13 -1.87 -1.55 132.00 131.45 1hl5 h PRO 74 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hl5 h PRO 74 Cb 1.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hl5 h PRO 74 CO 0.59 0.05 -0.22 1.63 -0.23 0.00 0.00 178.00 179.83 1hl5 n LYS 75 N -4.43 0.05 -2.66 0.86 5.02 -1.26 -4.88 118.16 110.86 1hl5 n LYS 75 Ca 0.07 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 1hl5 n LYS 75 Cb 0.44 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1hl5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hl5 s ASP 76 N -3.27 7.52 0.19 4.39 1.01 -0.59 -4.95 116.67 120.97 1hl5 s ASP 76 Ca 0.12 2.05 -0.09 0.00 0.71 0.00 0.00 52.55 55.34 1hl5 s ASP 76 Cb 0.17 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.59 1hl5 s ASP 76 CO 0.61 0.05 1.70 -0.08 0.21 0.00 0.00 175.17 177.66 1hl5 h GLU 77 N 4.09 1.09 -5.43 8.23 4.57 -1.90 -3.35 114.58 121.89 1hl5 h GLU 77 Ca -0.45 -0.27 -0.63 0.00 -1.18 0.00 0.00 59.36 56.82 1hl5 h GLU 77 Cb 1.20 -0.14 -0.15 0.00 -0.16 0.00 0.00 28.75 29.51 1hl5 h GLU 77 CO 0.68 0.97 0.63 -2.00 -1.18 0.00 0.00 179.01 178.12 1hl5 s GLU 78 N -5.30 3.20 0.21 1.92 2.56 -1.26 -4.96 118.70 115.08 1hl5 s GLU 78 Ca -0.12 -0.96 -0.17 0.00 0.00 0.00 0.00 54.97 53.72 1hl5 s GLU 78 Cb 0.14 -4.37 0.02 0.00 2.00 0.00 0.00 34.13 31.93 1hl5 s GLU 78 CO 0.84 -1.83 0.53 -0.98 -0.56 0.00 0.00 175.26 173.26 1hl5 s ARG 79 N 3.94 1.46 0.41 4.30 1.70 -1.21 -3.84 118.95 125.71 1hl5 s ARG 79 Ca 0.25 -0.96 -0.20 0.00 -0.47 0.00 0.00 55.73 54.35 1hl5 s ARG 79 Cb -0.14 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.65 1hl5 s ARG 79 CO 0.07 -0.62 0.91 -1.01 -1.08 0.00 0.00 175.30 173.57 1hl5 s HIS 80 N -3.91 3.32 0.27 5.89 3.76 -1.22 -4.66 115.29 118.74 1hl5 s HIS 80 Ca 0.12 1.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.58 1hl5 s HIS 80 Cb -0.01 -2.80 0.62 0.00 1.11 0.00 0.00 32.58 31.50 1hl5 s HIS 80 CO 0.01 -0.07 1.72 0.28 -0.85 0.00 0.00 174.74 175.82 1hl5 h VAL 81 N 1.92 0.57 0.00 -0.90 2.07 -1.86 -2.05 116.25 116.00 1hl5 h VAL 81 Ca -0.49 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1hl5 h VAL 81 Cb 1.18 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1hl5 h VAL 81 CO 0.62 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1hl5 n GLY 82 N -1.33 -0.96 3.55 2.17 0.00 -0.59 -4.32 105.19 103.70 1hl5 n GLY 82 Ca 0.19 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.44 6.24 -0.12 1.61 1.01 -0.77 -0.63 116.67 122.58 1hl5 s ASP 83 Ca 0.19 -0.72 0.16 0.00 0.71 0.00 0.00 52.55 52.89 1hl5 s ASP 83 Cb 0.09 -2.56 0.60 0.00 1.01 0.00 0.00 42.92 42.06 1hl5 s ASP 83 CO 0.15 -1.74 1.51 0.18 0.21 0.00 0.00 175.17 175.48 1hl5 n LEU 84 N 9.17 4.25 0.00 1.23 4.77 -1.03 -3.60 117.00 131.79 1hl5 n LEU 84 Ca 0.10 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 1hl5 n LEU 84 Cb 0.49 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1hl5 n LEU 84 CO 0.69 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1hl5 n GLY 85 N 0.55 0.78 3.27 -0.72 0.00 -1.18 -4.78 105.19 103.11 1hl5 n GLY 85 Ca 0.22 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 2.57 0.25 1.61 0.01 -1.26 -0.45 114.94 113.66 1hl5 s ASN 86 Ca 0.00 -0.59 0.07 0.00 -0.71 0.00 0.00 52.86 51.64 1hl5 s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1hl5 s ASN 86 CO 0.00 0.13 0.15 0.68 -1.51 0.00 0.00 177.10 176.56 1hl5 s VAL 87 N -0.93 4.25 -0.19 1.60 -7.23 -0.19 -4.89 120.40 112.82 1hl5 s VAL 87 Ca 0.08 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1hl5 s VAL 87 Cb -0.09 -3.29 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1hl5 s VAL 87 CO 0.03 -0.34 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.39 1hl5 s THR 88 N -2.15 2.07 0.00 5.32 2.01 -1.26 -1.23 115.64 120.39 1hl5 s THR 88 Ca 0.32 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1hl5 s THR 88 Cb -0.08 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 1hl5 s THR 88 CO 0.24 0.48 0.51 0.00 -0.69 0.00 0.00 174.62 175.16 1hl5 s ALA 89 N 1.27 3.58 0.93 7.40 0.00 0.00 -4.16 121.76 130.79 1hl5 s ALA 89 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1hl5 s ALA 89 Cb -0.14 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1hl5 s ALA 89 CO -0.12 0.31 0.25 -0.40 0.00 0.00 0.00 175.76 175.80 1hl5 n ASP 90 N 2.29 0.05 0.29 0.00 5.68 0.61 -1.54 116.55 123.94 1hl5 n ASP 90 Ca -0.10 -1.11 0.17 0.00 -0.50 0.00 0.00 54.79 53.25 1hl5 n ASP 90 Cb 0.51 -0.19 0.88 0.00 -1.14 0.00 0.00 41.12 41.18 1hl5 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1hl5 h LYS 91 N 0.00 0.00 -0.22 0.11 5.09 -1.97 -0.64 116.57 118.94 1hl5 h LYS 91 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1hl5 h LYS 91 Cb 0.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.56 1hl5 h LYS 91 CO 0.06 0.05 0.00 -0.25 -2.09 0.00 0.00 179.45 177.22 1hl5 n ASP 92 N -3.35 1.85 0.00 7.07 8.00 -1.26 -4.88 116.55 123.98 1hl5 n ASP 92 Ca -0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1hl5 n ASP 92 Cb 0.20 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1hl5 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl5 n GLY 93 N 1.15 0.40 3.50 0.44 0.00 -0.25 -4.75 105.19 105.68 1hl5 n GLY 93 Ca 0.16 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 4.02 -0.27 1.61 1.01 -1.26 -2.05 120.40 121.47 1hl5 s VAL 94 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1hl5 s VAL 94 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1hl5 s VAL 94 CO 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.56 1hl5 s ALA 95 N 0.53 2.83 -0.08 5.51 0.00 0.65 -0.28 121.76 130.92 1hl5 s ALA 95 Ca -0.02 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1hl5 s ALA 95 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1hl5 s ALA 95 CO 0.02 -0.89 0.54 -0.51 0.00 0.00 0.00 175.76 174.92 1hl5 s ASP 96 N 1.37 6.80 -0.12 0.00 -0.00 -1.26 -1.35 116.67 122.12 1hl5 s ASP 96 Ca 0.00 0.95 0.02 0.00 -0.00 0.00 0.00 52.55 53.52 1hl5 s ASP 96 Cb -0.17 -2.32 -0.01 0.00 -0.00 0.00 0.00 42.92 40.42 1hl5 s ASP 96 CO -0.02 0.01 -0.17 -0.69 -0.00 0.00 0.00 175.17 174.29 1hl5 s VAL 97 N 0.46 2.68 -0.39 -1.27 1.01 0.22 -4.76 120.40 118.35 1hl5 s VAL 97 Ca 0.29 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1hl5 s VAL 97 Cb -0.16 -2.09 0.16 0.00 0.00 0.00 0.00 36.38 34.29 1hl5 s VAL 97 CO 0.13 0.54 0.44 -0.55 0.00 0.00 0.00 175.10 175.66 1hl5 s SER 98 N 0.32 0.61 0.20 3.32 0.15 -1.25 -1.14 113.70 115.91 1hl5 s SER 98 Ca -0.13 -1.61 0.09 0.00 0.70 0.00 0.00 55.95 55.00 1hl5 s SER 98 Cb -0.17 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1hl5 s SER 98 CO 0.07 -0.22 -0.07 -0.63 1.20 0.00 0.00 173.24 173.58 1hl5 s ILE 99 N 1.33 3.27 -0.04 6.45 1.01 0.12 -4.98 121.20 128.35 1hl5 s ILE 99 Ca 0.19 -1.70 0.03 0.00 0.00 0.00 0.00 60.65 59.17 1hl5 s ILE 99 Cb -0.11 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1hl5 s ILE 99 CO -0.04 -0.16 -0.11 -0.70 0.00 0.00 0.00 174.94 173.92 1hl5 s GLU 100 N -3.00 1.33 -0.02 2.79 2.12 -1.26 -0.60 118.70 120.06 1hl5 s GLU 100 Ca 0.26 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 1hl5 s GLU 100 Cb -0.08 -1.17 0.01 0.00 0.26 0.00 0.00 34.13 33.14 1hl5 s GLU 100 CO 0.16 0.11 0.05 0.34 -0.54 0.00 0.00 175.26 175.38 1hl5 s ASP 101 N 0.31 -0.04 0.00 -1.70 2.15 -0.18 -4.95 116.67 112.25 1hl5 s ASP 101 Ca -0.06 0.09 0.10 0.00 0.43 0.00 0.00 52.55 53.11 1hl5 s ASP 101 Cb -0.11 0.09 0.23 0.00 -0.30 0.00 0.00 42.92 42.82 1hl5 s ASP 101 CO 0.02 -0.02 1.13 -1.20 -0.17 0.00 0.00 175.17 174.92 1hl5 n SER 102 N 3.13 2.59 -0.08 -0.34 7.64 -1.26 -0.31 113.62 124.99 1hl5 n SER 102 Ca -0.13 -1.85 -0.22 0.00 1.01 0.00 0.00 58.87 57.68 1hl5 n SER 102 Cb 0.59 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.45 1.61 -1.12 0.44 0.31 -1.26 -4.89 118.33 113.87 1hl5 n VAL 103 Ca 0.09 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.63 1hl5 n VAL 103 Cb 0.37 -1.69 0.14 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.51 2.72 0.16 2.52 -4.36 -1.26 -4.83 121.20 113.64 1hl5 s ILE 104 Ca -0.30 0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.19 1hl5 s ILE 104 Cb 0.09 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 41.16 1hl5 s ILE 104 CO 0.64 -0.30 0.37 -0.55 0.24 0.00 0.00 174.94 175.34 1hl5 s SER 105 N -3.28 -0.08 -0.06 4.36 0.15 -0.99 -4.72 113.70 109.09 1hl5 s SER 105 Ca 0.64 -0.66 0.14 0.00 0.70 0.00 0.00 55.95 56.76 1hl5 s SER 105 Cb -0.19 0.48 0.43 0.00 -1.71 0.00 0.00 66.02 65.03 1hl5 s SER 105 CO 0.57 -0.93 1.35 0.18 1.20 0.00 0.00 173.24 175.62 1hl5 n LEU 106 N -0.25 3.43 -3.73 3.45 4.77 -1.26 -1.79 117.00 121.61 1hl5 n LEU 106 Ca -0.10 -2.30 -0.10 0.00 -0.03 0.00 0.00 56.01 53.48 1hl5 n LEU 106 Cb 0.63 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1hl5 n LEU 106 CO 0.21 0.74 0.07 -0.44 -1.33 0.00 0.00 177.39 176.64 1hl5 s SER 107 N -1.22 -0.11 0.00 -1.43 0.01 -1.26 -4.88 113.70 104.82 1hl5 s SER 107 Ca 0.32 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1hl5 s SER 107 Cb 0.21 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1hl5 s SER 107 CO 0.16 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.59 1hl5 n GLY 108 N -0.18 -1.69 0.24 3.44 0.00 -1.26 -3.70 105.19 102.03 1hl5 n GLY 108 Ca -0.15 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.63 1.61 5.19 -2.00 -2.43 116.42 118.16 1hl5 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hl5 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1hl5 h ASP 109 CO 0.00 0.10 0.00 1.41 -3.12 0.00 0.00 179.24 177.63 1hl5 n HIS 110 N -3.19 1.14 -1.67 4.55 8.25 -1.26 -4.97 115.22 118.07 1hl5 n HIS 110 Ca 0.01 -0.50 -0.46 0.00 -0.26 0.00 0.00 57.72 56.52 1hl5 n HIS 110 Cb 0.43 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 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 3.48 0.12 -2.09 0.00 -5.35 -0.74 -4.93 119.36 109.84 1hl5 n ILE 112 Ca 0.17 -0.56 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 1hl5 n ILE 112 Cb 0.29 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.21 2.87 0.00 7.28 -1.09 -1.26 -1.82 121.20 125.97 1hl5 s ILE 113 Ca 0.19 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1hl5 s ILE 113 Cb 0.13 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1hl5 s ILE 113 CO 0.19 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1hl5 n GLY 114 N 2.26 0.81 1.11 6.18 0.00 0.11 -4.99 105.19 110.68 1hl5 n GLY 114 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.32 0.92 -5.16 1.61 1.74 -0.76 -2.51 116.66 110.18 1hl5 n ARG 115 Ca 0.00 -0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 55.86 1hl5 n ARG 115 Cb 0.00 -0.06 -0.16 0.00 -1.02 0.00 0.00 32.46 31.22 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 -0.09 2.22 -0.06 0.55 2.01 -0.99 -0.65 115.64 118.64 1hl5 s THR 116 Ca 0.17 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 1hl5 s THR 116 Cb -0.01 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1hl5 s THR 116 CO 0.11 0.56 0.49 -0.22 -0.69 0.00 0.00 174.62 174.86 1hl5 s LEU 117 N 0.26 4.37 -0.02 4.42 2.96 -0.41 0.51 118.68 130.78 1hl5 s LEU 117 Ca -0.15 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 1hl5 s LEU 117 Cb -0.17 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1hl5 s LEU 117 CO 0.08 0.12 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.41 1hl5 s VAL 118 N -0.06 0.98 -0.08 1.68 1.01 0.48 -1.95 120.40 122.46 1hl5 s VAL 118 Ca 0.26 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1hl5 s VAL 118 Cb -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1hl5 s VAL 118 CO 0.13 0.29 -0.16 0.54 0.00 0.00 0.00 175.10 175.89 1hl5 s VAL 119 N -0.13 2.87 0.37 2.92 0.11 -0.77 -1.62 120.40 124.15 1hl5 s VAL 119 Ca 0.02 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 1hl5 s VAL 119 Cb -0.06 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 1hl5 s VAL 119 CO 0.00 0.56 0.37 -1.00 -3.33 0.00 0.00 175.10 171.70 1hl5 s HIS 120 N -0.25 2.84 0.14 1.54 3.76 0.02 -1.36 115.29 121.99 1hl5 s HIS 120 Ca 0.01 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 1hl5 s HIS 120 Cb -0.13 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1hl5 s HIS 120 CO 0.03 -0.01 1.67 1.49 -0.85 0.00 0.00 174.74 177.07 1hl5 h GLU 121 N 1.07 0.71 -5.42 1.40 4.81 -0.92 -3.37 114.58 112.86 1hl5 h GLU 121 Ca -0.43 -0.15 -0.60 0.00 -0.13 0.00 0.00 59.36 58.05 1hl5 h GLU 121 Cb 1.26 -0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.41 1hl5 h GLU 121 CO 0.56 0.67 -0.58 0.15 -0.73 0.00 0.00 179.01 179.09 1hl5 s LYS 122 N -5.42 1.94 0.45 1.92 1.02 -0.33 -4.90 119.74 114.43 1hl5 s LYS 122 Ca -0.13 -2.14 -0.23 0.00 0.02 0.00 0.00 55.97 53.49 1hl5 s LYS 122 Cb 0.11 -1.37 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 1hl5 s LYS 122 CO 0.77 -0.18 1.15 0.00 -0.92 0.00 0.00 175.35 176.17 1hl5 s ALA 123 N -2.91 2.98 -0.15 5.17 0.00 -1.16 -1.45 121.76 124.24 1hl5 s ALA 123 Ca 0.28 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 1hl5 s ALA 123 Cb 0.07 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1hl5 s ALA 123 CO 0.14 -0.59 0.95 0.34 0.00 0.00 0.00 175.76 176.60 1hl5 s ASP 124 N -1.40 7.13 0.00 0.00 -1.08 -1.26 -4.06 116.67 115.99 1hl5 s ASP 124 Ca 0.63 1.39 0.02 0.00 -0.52 0.00 0.00 52.55 54.07 1hl5 s ASP 124 Cb -0.27 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 38.74 1hl5 s ASP 124 CO 0.33 -0.47 1.06 -0.90 0.52 0.00 0.00 175.17 175.71 1hl5 n ASP 125 N 5.29 0.17 -1.16 -0.34 5.68 0.47 -4.88 116.55 121.78 1hl5 n ASP 125 Ca 0.08 -1.97 -0.15 0.00 -0.50 0.00 0.00 54.79 52.24 1hl5 n ASP 125 Cb 0.48 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.42 -1.01 0.00 -2.12 4.77 -1.26 -2.10 117.00 114.87 1hl5 n LEU 126 Ca 0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1hl5 n LEU 126 Cb 0.03 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 38.71 1hl5 n LEU 126 CO 0.01 -0.89 0.00 0.61 -1.33 0.00 0.00 177.39 175.79 1hl5 n GLY 127 N -0.73 0.59 0.41 -0.72 0.00 -1.26 -3.09 105.19 100.40 1hl5 n GLY 127 Ca -0.15 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.77 1.59 0.00 1.61 4.76 -0.89 -4.51 118.16 117.94 1hl5 n LYS 128 Ca 0.00 -2.89 0.14 0.00 -2.87 0.00 0.00 58.31 52.70 1hl5 n LYS 128 Cb 0.00 -1.60 0.68 0.00 -1.84 0.00 0.00 35.03 32.27 1hl5 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hl5 n GLY 129 N -1.22 -1.19 2.06 0.72 0.00 -1.26 -4.93 105.19 99.36 1hl5 n GLY 129 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.31 0.25 3.32 -0.02 0.00 -1.26 -5.01 105.19 103.79 1hl5 n GLY 130 Ca 0.13 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.85 0.08 0.24 1.61 2.20 -1.26 -5.06 114.94 109.91 1hl5 s ASN 131 Ca 0.01 -0.97 -0.07 0.00 -0.94 0.00 0.00 52.86 50.90 1hl5 s ASN 131 Cb -0.00 0.42 0.23 0.00 -2.00 0.00 0.00 41.25 39.90 1hl5 s ASN 131 CO 0.01 -0.89 1.89 -0.08 -2.94 0.00 0.00 177.10 175.10 1hl5 h GLU 132 N 2.57 1.29 -0.72 3.55 4.81 -2.00 -2.35 114.58 121.74 1hl5 h GLU 132 Ca -0.32 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1hl5 h GLU 132 Cb 1.23 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1hl5 h GLU 132 CO 0.49 0.90 0.40 1.49 -0.73 0.00 0.00 179.01 181.56 1hl5 h GLU 133 N 1.31 0.99 -1.00 1.92 4.57 -2.00 -1.15 114.58 119.22 1hl5 h GLU 133 Ca 0.34 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1hl5 h GLU 133 Cb -0.06 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 28.26 1hl5 h GLU 133 CO -0.06 0.72 0.64 1.03 -1.18 0.00 0.00 179.01 180.16 1hl5 h SER 134 N 1.00 1.01 0.36 1.04 0.87 -1.77 0.27 113.55 116.32 1hl5 h SER 134 Ca 0.26 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1hl5 h SER 134 Cb 0.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1hl5 h SER 134 CO -0.04 0.62 0.00 0.35 -0.53 0.00 0.00 176.83 177.22 1hl5 n THR 135 N -4.54 0.12 -0.08 2.23 -2.24 -0.45 -1.34 114.28 107.97 1hl5 n THR 135 Ca 0.16 0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.80 1hl5 n THR 135 Cb 0.23 -0.60 -0.06 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 -1.21 0.35 0.00 -0.78 5.02 -0.10 -0.92 118.16 120.52 1hl5 n LYS 136 Ca 0.15 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1hl5 n LYS 136 Cb 0.18 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 -3.71 0.00 -0.99 -0.18 -2.24 -0.12 -4.68 114.28 102.36 1hl5 n THR 137 Ca -0.32 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1hl5 n THR 137 Cb 0.73 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 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 0.33 0.48 3.38 3.38 0.00 -0.45 -3.48 105.19 108.84 1hl5 n GLY 138 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.12 -5.34 -0.03 1.61 3.02 -1.26 -0.39 115.26 112.75 1hl5 n ASN 139 Ca 0.00 -0.45 0.15 0.00 -0.03 0.00 0.00 54.58 54.24 1hl5 n ASN 139 Cb 0.06 -4.30 0.75 0.00 -0.61 0.00 0.00 39.78 35.68 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 -4.03 2.57 -0.42 5.41 0.00 -1.23 -4.74 120.51 118.08 1hl5 n ALA 140 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1hl5 n ALA 140 Cb 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.25 0.04 3.68 0.00 0.00 -1.26 -1.19 105.19 107.71 1hl5 n GLY 141 Ca 0.16 -0.95 -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 3.17 -0.36 1.61 1.04 -1.26 -4.64 113.70 109.26 1hl5 s SER 142 Ca 0.00 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 1hl5 s SER 142 Cb 0.00 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1hl5 s SER 142 CO 0.00 -2.86 0.24 -0.13 0.98 0.00 0.00 173.24 171.47 1hl5 s ARG 143 N -4.81 3.30 0.00 4.02 0.52 -1.26 -0.73 118.95 119.99 1hl5 s ARG 143 Ca 0.64 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 55.03 1hl5 s ARG 143 Cb -0.20 -3.82 -0.28 0.00 0.52 0.00 0.00 34.95 31.17 1hl5 s ARG 143 CO 0.58 -0.54 0.86 -0.07 0.02 0.00 0.00 175.30 176.16 1hl5 h LEU 144 N 8.51 0.42 -7.12 2.53 3.38 -1.52 -3.47 115.31 118.03 1hl5 h LEU 144 Ca -0.30 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 1hl5 h LEU 144 Cb 1.14 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 1hl5 h LEU 144 CO 0.66 1.48 0.09 0.00 0.09 0.00 0.00 178.44 180.75 1hl5 s ALA 145 N -2.62 -1.49 0.28 1.53 0.00 -1.21 -4.07 121.76 114.19 1hl5 s ALA 145 Ca -0.09 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 1hl5 s ALA 145 Cb 0.07 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1hl5 s ALA 145 CO 0.86 -0.45 0.64 0.00 0.00 0.00 0.00 175.76 176.81 1hl5 s GLY 147 N -2.98 -0.47 0.08 0.00 0.00 -0.82 -1.59 107.32 101.55 1hl5 s GLY 147 Ca 0.16 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.42 1hl5 s GLY 147 CO 0.09 0.26 0.78 0.14 0.00 0.00 0.00 173.10 174.36 1hl5 s VAL 148 N -3.29 4.62 -0.19 1.40 1.01 -1.26 -1.28 120.40 121.41 1hl5 s VAL 148 Ca 0.05 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1hl5 s VAL 148 Cb -0.01 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1hl5 s VAL 148 CO -0.08 0.41 1.04 -0.63 0.00 0.00 0.00 175.10 175.84 1hl5 s ILE 149 N -0.36 4.68 0.22 2.22 1.01 0.18 -4.51 121.20 124.63 1hl5 s ILE 149 Ca 0.38 2.00 0.11 0.00 0.00 0.00 0.00 60.65 63.15 1hl5 s ILE 149 Cb -0.21 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 1hl5 s ILE 149 CO 0.24 -0.12 -0.22 -0.83 0.00 0.00 0.00 174.94 174.01 1hl5 s GLY 150 N 1.21 1.75 0.22 6.18 0.00 0.32 0.07 107.32 117.06 1hl5 s GLY 150 Ca 0.46 -1.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 1hl5 s GLY 150 CO 0.10 -1.76 1.39 -0.42 0.00 0.00 0.00 173.10 172.42 1hl5 s ILE 151 N -1.97 2.91 0.25 0.90 1.01 -1.26 -0.56 121.20 122.48 1hl5 s ILE 151 Ca 0.23 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.74 1hl5 s ILE 151 Cb -0.07 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1hl5 s ILE 151 CO 0.11 0.11 -0.13 0.00 0.00 0.00 0.00 174.94 175.03 1hl5 s ALA 152 N 0.15 2.88 -2.00 9.38 0.00 -0.54 -4.78 121.76 126.85 1hl5 s ALA 152 Ca 0.59 -1.73 0.24 0.00 0.00 0.00 0.00 51.96 51.06 1hl5 s ALA 152 Cb -0.40 -0.49 1.46 0.00 0.00 0.00 0.00 23.12 23.69 1hl5 s ALA 152 CO 0.40 0.31 1.82 0.94 0.00 0.00 0.00 175.76 179.23