#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl5 s THR 2 N 0.00 4.46 0.05 0.00 2.01 -0.27 -4.82 115.64 117.07 1hl5 s THR 2 Ca 0.00 1.35 0.03 0.00 0.31 0.00 0.00 61.69 63.38 1hl5 s THR 2 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1hl5 s THR 2 CO 0.00 -0.45 -0.10 -0.54 -0.69 0.00 0.00 174.62 172.83 1hl5 s LYS 3 N -3.51 0.66 0.21 4.92 1.02 -1.26 -0.73 119.74 121.05 1hl5 s LYS 3 Ca 0.60 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1hl5 s LYS 3 Cb -0.09 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1hl5 s LYS 3 CO 0.20 0.12 0.19 0.00 -0.92 0.00 0.00 175.35 174.94 1hl5 s ALA 4 N -1.18 0.98 0.05 5.17 0.00 -0.22 -1.30 121.76 125.26 1hl5 s ALA 4 Ca -0.05 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 1hl5 s ALA 4 Cb -0.09 1.34 0.03 0.00 0.00 0.00 0.00 23.12 24.40 1hl5 s ALA 4 CO 0.01 -0.63 0.38 0.54 0.00 0.00 0.00 175.76 176.06 1hl5 s VAL 5 N -4.10 0.06 -0.09 0.00 0.11 0.37 -0.86 120.40 115.89 1hl5 s VAL 5 Ca 0.37 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1hl5 s VAL 5 Cb 0.06 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1hl5 s VAL 5 CO 0.12 -0.29 0.21 0.00 -3.33 0.00 0.00 175.10 171.81 1hl5 s VAL 7 N 1.50 4.83 -0.13 0.00 1.01 -1.26 -0.71 120.40 125.64 1hl5 s VAL 7 Ca -0.06 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1hl5 s VAL 7 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1hl5 s VAL 7 CO -0.07 0.07 0.34 -0.76 0.00 0.00 0.00 175.10 174.68 1hl5 s LEU 8 N 1.65 4.28 0.06 3.92 1.02 0.63 -4.00 118.68 126.25 1hl5 s LEU 8 Ca 0.05 0.63 -0.06 0.00 0.02 0.00 0.00 54.13 54.77 1hl5 s LEU 8 Cb -0.17 -2.46 -0.01 0.00 0.02 0.00 0.00 46.19 43.57 1hl5 s LEU 8 CO 0.08 0.11 0.12 -0.54 0.02 0.00 0.00 176.35 176.13 1hl5 s LYS 9 N 0.30 0.70 0.00 1.70 -0.14 -0.49 -1.99 119.74 119.81 1hl5 s LYS 9 Ca 0.19 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 1hl5 s LYS 9 Cb -0.14 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.29 1hl5 s LYS 9 CO 0.06 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 174.87 1hl5 n GLY 10 N 0.32 2.89 0.13 -3.33 0.00 -1.24 -1.38 105.19 102.57 1hl5 n GLY 10 Ca -0.17 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.01 0.61 0.00 1.61 8.00 -1.26 -4.88 116.55 119.62 1hl5 n ASP 11 Ca 0.00 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1hl5 n ASP 11 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.36 4.09 0.24 0.44 0.00 -1.26 -5.03 105.19 105.03 1hl5 n GLY 12 Ca 0.11 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 1.22 -2.69 1.61 -0.04 -1.26 -4.87 135.00 128.97 1hl5 n PRO 13 Ca 0.00 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 1hl5 n PRO 13 Cb 0.00 -1.49 -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 -2.11 4.79 0.05 0.52 1.01 -1.26 -4.20 120.40 119.19 1hl5 s VAL 14 Ca 0.39 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 64.17 1hl5 s VAL 14 Cb 0.21 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1hl5 s VAL 14 CO 0.38 0.01 0.58 0.00 0.00 0.00 0.00 175.10 176.07 1hl5 s GLN 15 N 1.97 1.10 0.00 2.72 -2.07 -0.94 -3.73 119.66 118.72 1hl5 s GLN 15 Ca 0.48 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 1hl5 s GLN 15 Cb -0.18 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 1hl5 s GLN 15 CO 0.18 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 1hl5 n GLY 16 N 0.34 -1.19 2.95 2.60 0.00 -0.84 -0.35 105.19 108.69 1hl5 n GLY 16 Ca -0.18 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.66 0.85 -0.06 -0.61 1.01 -0.79 -0.27 121.20 118.67 1hl5 s ILE 17 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.41 1hl5 s ILE 17 Cb 0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 1hl5 s ILE 17 CO 0.00 0.30 -0.23 -0.63 0.00 0.00 0.00 174.94 174.38 1hl5 s ILE 18 N 0.88 1.90 0.07 2.92 -1.09 0.12 -2.14 121.20 123.87 1hl5 s ILE 18 Ca -0.11 -0.97 0.04 0.00 -2.23 0.00 0.00 60.65 57.38 1hl5 s ILE 18 Cb -0.15 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1hl5 s ILE 18 CO 0.01 0.53 0.02 0.20 -1.23 0.00 0.00 174.94 174.47 1hl5 s ASN 19 N 0.02 5.18 -0.01 3.58 -0.87 0.52 -0.46 114.94 122.90 1hl5 s ASN 19 Ca -0.08 -0.11 0.04 0.00 -1.57 0.00 0.00 52.86 51.15 1hl5 s ASN 19 Cb -0.14 -1.30 -0.01 0.00 -0.02 0.00 0.00 41.25 39.78 1hl5 s ASN 19 CO 0.05 0.19 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.26 1hl5 s PHE 20 N -1.30 1.30 -0.03 2.20 0.40 -0.04 -1.81 117.98 118.70 1hl5 s PHE 20 Ca 0.26 -0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1hl5 s PHE 20 Cb -0.12 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.60 1hl5 s PHE 20 CO 0.18 -0.04 0.06 -2.00 0.70 0.00 0.00 175.22 174.12 1hl5 s GLU 21 N -0.27 -0.01 -0.26 0.44 2.12 -0.13 -1.05 118.70 119.53 1hl5 s GLU 21 Ca 0.04 0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 1hl5 s GLU 21 Cb -0.06 -0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.16 1hl5 s GLU 21 CO -0.00 -0.17 0.02 -1.14 -0.54 0.00 0.00 175.26 173.43 1hl5 s GLN 22 N 1.14 1.12 0.20 4.30 0.74 0.09 -0.67 119.66 126.57 1hl5 s GLN 22 Ca -0.09 -0.99 -0.06 0.00 0.05 0.00 0.00 55.36 54.28 1hl5 s GLN 22 Cb -0.13 -2.37 0.13 0.00 1.10 0.00 0.00 33.01 31.74 1hl5 s GLN 22 CO -0.04 -0.76 1.59 0.87 -0.55 0.00 0.00 175.29 176.40 1hl5 h LYS 23 N 8.02 0.80 -6.24 1.67 1.57 -1.83 -0.71 116.57 119.84 1hl5 h LYS 23 Ca -0.15 -0.35 -0.61 0.00 -1.87 0.00 0.00 60.65 57.67 1hl5 h LYS 23 Cb 1.06 -0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.08 1hl5 h LYS 23 CO 0.43 0.98 -0.85 -1.21 -0.57 0.00 0.00 179.45 178.22 1hl5 s GLU 24 N -4.54 1.53 0.05 3.15 2.02 -1.26 -3.27 118.70 116.38 1hl5 s GLU 24 Ca -0.10 -0.96 -0.35 0.00 0.02 0.00 0.00 54.97 53.58 1hl5 s GLU 24 Cb 0.13 -1.64 -0.14 0.00 0.10 0.00 0.00 34.13 32.57 1hl5 s GLU 24 CO 0.85 0.42 1.59 0.45 0.02 0.00 0.00 175.26 178.59 1hl5 n SER 25 N 1.91 2.72 0.00 -0.19 2.88 -1.26 -0.01 113.62 119.68 1hl5 n SER 25 Ca -0.17 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1hl5 n SER 25 Cb 0.53 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1hl5 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1hl5 n ASN 26 N 4.02 0.00 -3.92 -3.46 4.13 -1.26 -4.99 115.26 109.78 1hl5 n ASN 26 Ca 0.19 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.15 1hl5 n ASN 26 Cb 0.25 -1.15 0.21 0.00 -1.54 0.00 0.00 39.78 37.55 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1hl5 s GLY 27 N -2.00 1.78 0.56 7.41 0.00 0.99 -4.99 107.32 111.06 1hl5 s GLY 27 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.24 1hl5 s GLY 27 CO 0.00 -0.42 1.33 -1.05 0.00 0.00 0.00 173.10 172.96 1hl5 n PRO 28 N -4.04 1.59 -4.15 2.90 -0.02 -1.26 -4.84 135.00 125.18 1hl5 n PRO 28 Ca 0.16 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1hl5 n PRO 28 Cb 0.59 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 1hl5 n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hl5 s VAL 29 N -1.31 3.84 0.05 -1.45 1.01 0.18 -4.30 120.40 118.42 1hl5 s VAL 29 Ca 0.73 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1hl5 s VAL 29 Cb -0.42 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 1hl5 s VAL 29 CO 0.48 0.44 0.67 -0.54 0.00 0.00 0.00 175.10 176.15 1hl5 s LYS 30 N 0.89 4.38 -0.10 2.72 1.02 0.15 -0.94 119.74 127.86 1hl5 s LYS 30 Ca 0.00 0.89 -0.00 0.00 0.02 0.00 0.00 55.97 56.89 1hl5 s LYS 30 Cb -0.14 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1hl5 s LYS 30 CO 0.02 0.42 -0.08 0.08 -0.92 0.00 0.00 175.35 174.87 1hl5 s VAL 31 N -0.46 1.01 0.05 3.17 1.01 0.22 -0.96 120.40 124.44 1hl5 s VAL 31 Ca 0.33 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1hl5 s VAL 31 Cb -0.20 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1hl5 s VAL 31 CO 0.21 0.36 0.56 -1.66 0.00 0.00 0.00 175.10 174.57 1hl5 s TRP 32 N 1.56 -0.48 -5.00 5.22 -2.14 -0.75 -0.73 118.94 116.61 1hl5 s TRP 32 Ca 0.02 0.57 0.00 0.00 2.66 0.00 0.00 56.10 59.35 1hl5 s TRP 32 Cb -0.13 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.63 1hl5 s TRP 32 CO -0.06 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1hl5 n GLY 33 N 0.38 -1.10 3.03 3.67 0.00 -0.86 -0.35 105.19 109.95 1hl5 n GLY 33 Ca -0.18 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 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 1.48 -0.10 1.61 0.15 -0.91 -0.45 113.70 111.48 1hl5 s SER 34 Ca 0.00 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1hl5 s SER 34 Cb 0.00 -0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 63.85 1hl5 s SER 34 CO 0.00 0.07 -0.23 -0.63 1.20 0.00 0.00 173.24 173.65 1hl5 s ILE 35 N 0.26 2.12 0.43 6.45 1.01 -0.42 -1.88 121.20 129.17 1hl5 s ILE 35 Ca -0.05 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.67 1hl5 s ILE 35 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1hl5 s ILE 35 CO 0.01 0.56 0.25 -1.59 0.00 0.00 0.00 174.94 174.17 1hl5 s LYS 36 N 0.35 2.31 0.00 2.79 -2.85 0.52 -0.38 119.74 122.49 1hl5 s LYS 36 Ca -0.18 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.01 1hl5 s LYS 36 Cb -0.18 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1hl5 s LYS 36 CO 0.09 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1hl5 n GLY 37 N -1.37 0.53 3.93 0.59 0.00 -1.00 -2.20 105.19 105.66 1hl5 n GLY 37 Ca -0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 4.18 0.48 0.99 1.43 -0.51 -4.29 118.68 120.95 1hl5 s LEU 38 Ca 0.00 0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 53.32 1hl5 s LEU 38 Cb 0.00 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 1hl5 s LEU 38 CO 0.00 -0.09 1.10 0.42 0.23 0.00 0.00 176.35 178.01 1hl5 s THR 39 N -1.95 3.40 0.30 5.49 -4.23 -1.26 -3.94 115.64 113.45 1hl5 s THR 39 Ca 0.39 0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 1hl5 s THR 39 Cb -0.11 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.17 1hl5 s THR 39 CO 0.30 -0.10 1.47 1.21 -0.54 0.00 0.00 174.62 176.96 1hl5 n GLU 40 N -0.74 2.41 0.00 3.99 2.13 -1.26 -4.59 120.64 122.58 1hl5 n GLU 40 Ca 0.08 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.76 1hl5 n GLU 40 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 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 1.59 0.35 3.78 8.31 0.00 -0.27 -4.92 105.19 114.04 1hl5 n GLY 41 Ca 0.07 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 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 4.51 -0.03 0.99 1.43 -1.26 -0.61 118.68 123.71 1hl5 s LEU 42 Ca 0.00 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1hl5 s LEU 42 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1hl5 s LEU 42 CO 0.00 0.13 0.02 -1.00 0.23 0.00 0.00 176.35 175.73 1hl5 s HIS 43 N -1.30 0.19 0.47 0.29 3.76 -0.16 -3.06 115.29 115.48 1hl5 s HIS 43 Ca 0.40 0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1hl5 s HIS 43 Cb -0.21 -0.35 -0.08 0.00 1.11 0.00 0.00 32.58 33.05 1hl5 s HIS 43 CO 0.25 -0.12 1.22 0.41 -0.85 0.00 0.00 174.74 175.65 1hl5 n GLY 44 N 4.24 0.39 2.77 -2.22 0.00 -0.25 -1.06 105.19 109.05 1hl5 n GLY 44 Ca -0.26 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.27 -0.32 0.04 1.61 5.36 0.02 -0.91 117.98 122.51 1hl5 s PHE 45 Ca 0.66 0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.89 1hl5 s PHE 45 Cb -0.48 -0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.84 1hl5 s PHE 45 CO 0.54 -0.61 0.00 -1.01 -1.46 0.00 0.00 175.22 172.68 1hl5 s HIS 46 N 2.35 0.38 -0.25 10.12 3.76 -0.72 -2.84 115.29 128.08 1hl5 s HIS 46 Ca 0.07 -0.80 -0.16 0.00 -0.15 0.00 0.00 55.06 54.03 1hl5 s HIS 46 Cb -0.16 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1hl5 s HIS 46 CO -0.12 -0.33 0.40 0.08 -0.85 0.00 0.00 174.74 173.91 1hl5 s VAL 47 N -2.99 5.17 0.37 -0.90 1.01 -0.09 -0.82 120.40 122.16 1hl5 s VAL 47 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1hl5 s VAL 47 Cb 0.01 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1hl5 s VAL 47 CO -0.07 0.18 0.58 -1.00 0.00 0.00 0.00 175.10 174.79 1hl5 s HIS 48 N 1.87 3.44 0.12 5.22 3.76 0.19 -1.08 115.29 128.81 1hl5 s HIS 48 Ca 0.17 0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 55.24 1hl5 s HIS 48 Cb -0.15 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 1hl5 s HIS 48 CO 0.09 0.02 1.59 1.49 -0.85 0.00 0.00 174.74 177.08 1hl5 h GLU 49 N 0.67 0.60 -6.18 1.40 4.81 -0.54 -2.79 114.58 112.55 1hl5 h GLU 49 Ca -0.49 -0.16 -0.69 0.00 -0.13 0.00 0.00 59.36 57.89 1hl5 h GLU 49 Cb 1.23 -0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 1hl5 h GLU 49 CO 0.60 0.67 -0.71 -0.06 -0.73 0.00 0.00 179.01 178.79 1hl5 s PHE 50 N -5.16 2.90 -0.63 0.92 0.08 -0.34 -4.66 117.98 111.09 1hl5 s PHE 50 Ca -0.13 -0.00 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 1hl5 s PHE 50 Cb 0.09 -1.69 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1hl5 s PHE 50 CO 0.77 0.31 2.75 0.41 -0.10 0.00 0.00 175.22 179.36 1hl5 n GLY 51 N 2.20 4.44 3.13 4.36 0.00 -1.04 -3.72 105.19 114.57 1hl5 n GLY 51 Ca -0.18 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 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 0.50 4.64 -0.16 1.61 -1.08 -1.26 -4.95 116.67 115.96 1hl5 s ASP 52 Ca 0.59 -1.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.48 1hl5 s ASP 52 Cb 0.33 -1.64 0.57 0.00 -1.46 0.00 0.00 42.92 40.72 1hl5 s ASP 52 CO -0.18 -0.22 1.47 -3.20 0.52 0.00 0.00 175.17 173.57 1hl5 n ASN 53 N 4.54 4.15 0.30 -0.34 5.15 -1.26 -2.93 115.26 124.87 1hl5 n ASN 53 Ca -0.14 -2.84 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 1hl5 n ASN 53 Cb 0.43 -0.53 0.94 0.00 -0.53 0.00 0.00 39.78 40.09 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1hl5 h THR 54 N 2.36 0.36 -0.95 -0.44 1.35 -1.92 -2.34 112.91 111.32 1hl5 h THR 54 Ca 0.00 -0.17 -0.44 0.00 -0.55 0.00 0.00 66.41 65.24 1hl5 h THR 54 Cb 1.45 1.12 -0.41 0.00 -1.73 0.00 0.00 68.15 68.58 1hl5 h THR 54 CO 0.24 0.03 -0.96 0.00 -0.25 0.00 0.00 175.52 174.58 1hl5 n ALA 55 N -2.23 4.07 -0.63 6.62 0.00 -1.26 -5.06 120.51 122.03 1hl5 n ALA 55 Ca -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1hl5 n ALA 55 Cb 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.46 0.41 0.27 0.00 0.00 -0.88 -3.42 105.19 101.10 1hl5 n GLY 56 Ca 0.25 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 1.10 0.00 0.00 2.02 -1.90 -2.23 112.91 111.89 1hl5 h THR 58 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1hl5 h THR 58 Cb 0.55 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1hl5 h THR 58 CO 0.01 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1hl5 n SER 59 N -4.46 0.00 0.10 4.18 3.41 -1.14 -2.92 113.62 112.79 1hl5 n SER 59 Ca 0.09 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.42 1hl5 n SER 59 Cb 0.13 -0.16 0.43 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.16 1.54 -0.17 7.33 0.00 -0.84 -4.45 120.51 122.77 1hl5 n ALA 60 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1hl5 n ALA 60 Cb 0.14 -1.32 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 -0.26 -1.38 0.48 0.00 0.00 -1.15 -1.20 105.19 101.67 1hl5 n GLY 61 Ca 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.13 0.23 -2.07 1.61 -0.04 -1.26 -4.61 135.00 128.74 1hl5 n PRO 62 Ca 0.00 -0.30 -0.40 0.00 -0.04 0.00 0.00 63.50 62.76 1hl5 n PRO 62 Cb 0.00 -0.12 -0.01 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.68 2.85 0.03 0.54 3.76 -1.26 -0.30 115.29 120.23 1hl5 s HIS 63 Ca 0.09 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.11 1hl5 s HIS 63 Cb -0.00 -3.66 -0.08 0.00 1.11 0.00 0.00 32.58 29.94 1hl5 s HIS 63 CO 0.06 -2.04 1.79 0.12 -0.85 0.00 0.00 174.74 173.82 1hl5 s PHE 64 N -1.25 1.85 -0.44 1.40 5.36 -0.24 -4.47 117.98 120.18 1hl5 s PHE 64 Ca 0.56 -0.04 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1hl5 s PHE 64 Cb -0.38 -4.08 0.27 0.00 -0.34 0.00 0.00 43.02 38.49 1hl5 s PHE 64 CO 0.49 -4.62 0.79 -1.71 -1.46 0.00 0.00 175.22 168.72 1hl5 n ASN 65 N 6.73 -1.46 0.29 6.13 5.15 -1.26 -1.47 115.26 129.36 1hl5 n ASN 65 Ca 0.18 -3.15 0.17 0.00 -0.60 0.00 0.00 54.58 51.18 1hl5 n ASN 65 Cb 0.41 0.82 0.83 0.00 -0.53 0.00 0.00 39.78 41.31 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 3.74 0.00 -0.66 1.20 0.13 -1.98 -2.33 132.00 132.09 1hl5 h PRO 66 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1hl5 h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1hl5 h PRO 66 CO 0.36 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 1hl5 n LEU 67 N -3.32 4.59 -3.94 1.56 4.77 -1.26 -4.97 117.00 114.44 1hl5 n LEU 67 Ca -0.01 -2.31 -0.25 0.00 -0.03 0.00 0.00 56.01 53.40 1hl5 n LEU 67 Cb 0.22 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1hl5 n LEU 67 CO 0.27 0.80 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.71 1hl5 n SER 68 N 1.15 -0.37 -5.00 -1.43 7.64 -0.88 -4.98 113.62 109.76 1hl5 n SER 68 Ca 0.25 -1.00 -0.22 0.00 1.01 0.00 0.00 58.87 58.92 1hl5 n SER 68 Cb 0.85 -3.11 0.04 0.00 -1.01 0.00 0.00 64.21 60.98 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 -6.52 2.28 0.48 1.43 0.52 -1.26 -5.12 118.95 110.76 1hl5 s ARG 69 Ca 0.01 -1.76 -0.03 0.00 -0.52 0.00 0.00 55.73 53.43 1hl5 s ARG 69 Cb -0.00 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1hl5 s ARG 69 CO 0.88 -0.80 0.75 0.15 0.02 0.00 0.00 175.30 176.30 1hl5 s LYS 70 N -4.56 3.29 0.33 3.54 1.02 -1.26 -4.76 119.74 117.34 1hl5 s LYS 70 Ca 0.54 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1hl5 s LYS 70 Cb -0.05 -2.44 -0.11 0.00 -0.52 0.00 0.00 37.83 34.72 1hl5 s LYS 70 CO 0.34 -0.27 1.41 -1.58 -0.92 0.00 0.00 175.35 174.33 1hl5 s HIS 71 N -2.68 2.86 0.02 3.18 5.65 0.66 -3.21 115.29 121.77 1hl5 s HIS 71 Ca 0.48 1.23 -0.00 0.00 0.25 0.00 0.00 55.06 57.01 1hl5 s HIS 71 Cb -0.10 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 1hl5 s HIS 71 CO 0.42 -2.50 0.03 0.41 -0.65 0.00 0.00 174.74 172.45 1hl5 n GLY 72 N 0.98 3.16 3.98 1.59 0.00 -1.25 -4.26 105.19 109.38 1hl5 n GLY 72 Ca 0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.14 1.63 0.40 -0.02 0.00 -1.22 -4.60 107.32 102.37 1hl5 s GLY 73 Ca 0.02 -1.30 0.07 0.00 0.00 0.00 0.00 44.72 43.50 1hl5 s GLY 73 CO 0.01 -1.16 2.05 -2.55 0.00 0.00 0.00 173.10 171.46 1hl5 h PRO 74 N 0.60 0.56 0.00 2.90 0.10 -1.86 -2.05 132.00 132.25 1hl5 h PRO 74 Ca -0.45 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1hl5 h PRO 74 Cb 1.26 -0.12 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1hl5 h PRO 74 CO 0.54 0.37 0.00 1.63 0.10 0.00 0.00 178.00 180.64 1hl5 n LYS 75 N -4.47 0.39 -2.92 1.05 4.76 -1.26 -4.87 118.16 110.84 1hl5 n LYS 75 Ca 0.03 0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.16 1hl5 n LYS 75 Cb 0.06 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.68 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 -2.58 6.96 0.09 4.39 1.01 -0.77 -4.98 116.67 120.79 1hl5 s ASP 76 Ca 0.26 1.58 -0.11 0.00 0.71 0.00 0.00 52.55 54.99 1hl5 s ASP 76 Cb 0.19 -2.49 -0.18 0.00 1.01 0.00 0.00 42.92 41.44 1hl5 s ASP 76 CO 0.43 -0.25 1.23 -0.08 0.21 0.00 0.00 175.17 176.71 1hl5 h GLU 77 N 2.27 0.63 -5.78 8.23 4.22 -1.89 -3.38 114.58 118.88 1hl5 h GLU 77 Ca -0.48 -0.66 -0.60 0.00 0.08 0.00 0.00 59.36 57.70 1hl5 h GLU 77 Cb 1.18 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 30.49 1hl5 h GLU 77 CO 0.63 1.26 0.72 -2.00 -2.18 0.00 0.00 179.01 177.44 1hl5 s GLU 78 N -3.34 3.16 0.17 1.92 2.56 -1.26 -4.94 118.70 116.97 1hl5 s GLU 78 Ca -0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 54.97 54.08 1hl5 s GLU 78 Cb 0.08 -4.20 0.06 0.00 2.00 0.00 0.00 34.13 32.07 1hl5 s GLU 78 CO 0.91 -1.90 0.59 -0.98 -0.56 0.00 0.00 175.26 173.32 1hl5 s ARG 79 N 4.61 1.33 0.44 4.30 1.70 -1.20 -3.88 118.95 126.26 1hl5 s ARG 79 Ca 0.27 -0.57 -0.21 0.00 -0.47 0.00 0.00 55.73 54.75 1hl5 s ARG 79 Cb -0.14 0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 1hl5 s ARG 79 CO 0.13 -0.58 0.96 -1.01 -1.08 0.00 0.00 175.30 173.72 1hl5 s HIS 80 N -3.78 3.28 0.32 5.89 3.76 -1.21 -4.71 115.29 118.85 1hl5 s HIS 80 Ca 0.03 1.60 0.05 0.00 -0.15 0.00 0.00 55.06 56.59 1hl5 s HIS 80 Cb -0.01 -2.87 0.70 0.00 1.11 0.00 0.00 32.58 31.51 1hl5 s HIS 80 CO -0.10 -0.22 1.84 0.28 -0.85 0.00 0.00 174.74 175.69 1hl5 h VAL 81 N 1.79 0.85 -0.01 -0.90 2.07 -1.85 -1.70 116.25 116.49 1hl5 h VAL 81 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1hl5 h VAL 81 Cb 1.19 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1hl5 h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1hl5 n GLY 82 N -1.38 -0.96 3.53 2.17 0.00 -0.54 -4.41 105.19 103.59 1hl5 n GLY 82 Ca 0.19 -0.07 -0.42 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 -1.29 6.50 0.00 1.61 1.01 -0.64 -0.91 116.67 122.95 1hl5 s ASP 83 Ca 0.14 -1.52 0.21 0.00 0.71 0.00 0.00 52.55 52.09 1hl5 s ASP 83 Cb 0.07 -2.52 0.53 0.00 1.01 0.00 0.00 42.92 42.01 1hl5 s ASP 83 CO 0.11 -1.41 1.45 0.18 0.21 0.00 0.00 175.17 175.71 1hl5 n LEU 84 N 8.26 3.10 0.00 1.23 4.77 -1.13 -3.51 117.00 129.73 1hl5 n LEU 84 Ca 0.27 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1hl5 n LEU 84 Cb 0.50 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1hl5 n LEU 84 CO 0.62 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 1hl5 n GLY 85 N 1.44 0.30 3.48 -0.72 0.00 -1.21 -4.77 105.19 103.71 1hl5 n GLY 85 Ca 0.19 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 3.74 0.20 1.61 0.01 -1.26 -0.80 114.94 114.44 1hl5 s ASN 86 Ca 0.00 -0.80 0.11 0.00 -0.71 0.00 0.00 52.86 51.46 1hl5 s ASN 86 Cb 0.00 -0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 1hl5 s ASN 86 CO 0.00 0.10 -0.22 0.68 -1.51 0.00 0.00 177.10 176.14 1hl5 s VAL 87 N -1.85 2.44 -0.12 1.60 -7.23 -0.23 -4.91 120.40 110.11 1hl5 s VAL 87 Ca 0.24 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1hl5 s VAL 87 Cb -0.08 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 1hl5 s VAL 87 CO 0.13 -0.13 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.75 1hl5 s THR 88 N -1.71 2.93 -0.07 5.32 2.01 -1.26 -0.99 115.64 121.87 1hl5 s THR 88 Ca 0.22 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1hl5 s THR 88 Cb -0.08 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1hl5 s THR 88 CO 0.11 0.53 0.13 0.00 -0.69 0.00 0.00 174.62 174.69 1hl5 s ALA 89 N 0.33 3.80 0.91 7.40 0.00 0.22 -4.19 121.76 130.23 1hl5 s ALA 89 Ca -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1hl5 s ALA 89 Cb -0.16 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.19 1hl5 s ALA 89 CO 0.06 0.66 0.43 -0.40 0.00 0.00 0.00 175.76 176.51 1hl5 n ASP 90 N 1.61 0.11 0.12 0.00 5.68 -0.28 -1.12 116.55 122.68 1hl5 n ASP 90 Ca -0.16 -1.20 0.12 0.00 -0.50 0.00 0.00 54.79 53.04 1hl5 n ASP 90 Cb 0.54 -0.32 0.48 0.00 -1.14 0.00 0.00 41.12 40.68 1hl5 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1hl5 n LYS 91 N -1.89 0.19 -0.11 0.11 -0.00 -1.26 -1.56 118.16 113.64 1hl5 n LYS 91 Ca 0.06 0.40 0.10 0.00 -0.00 0.00 0.00 58.31 58.86 1hl5 n LYS 91 Cb 0.20 -1.84 0.32 0.00 -0.00 0.00 0.00 35.03 33.70 1hl5 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hl5 n ASP 92 N -2.19 1.88 0.00 -5.58 8.00 -1.26 -4.89 116.55 112.51 1hl5 n ASP 92 Ca 0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1hl5 n ASP 92 Cb 0.24 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.55 3.58 0.44 0.00 -0.60 -4.71 105.19 105.60 1hl5 n GLY 93 Ca 0.16 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 4.73 -0.37 1.61 1.01 -1.26 -1.43 120.40 122.70 1hl5 s VAL 94 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1hl5 s VAL 94 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1hl5 s VAL 94 CO 0.00 0.41 0.22 0.00 0.00 0.00 0.00 175.10 175.73 1hl5 s ALA 95 N 0.81 3.35 -0.97 5.51 0.00 0.49 -1.12 121.76 129.82 1hl5 s ALA 95 Ca 0.04 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.20 1hl5 s ALA 95 Cb -0.13 -2.64 0.15 0.00 0.00 0.00 0.00 23.12 20.50 1hl5 s ALA 95 CO 0.02 -1.28 1.14 -0.51 0.00 0.00 0.00 175.76 175.13 1hl5 s ASP 96 N 1.61 6.75 0.16 0.00 -0.00 -1.26 -1.30 116.67 122.63 1hl5 s ASP 96 Ca 0.04 -2.35 -0.30 0.00 -0.00 0.00 0.00 52.55 49.93 1hl5 s ASP 96 Cb -0.19 -2.37 -0.08 0.00 -0.00 0.00 0.00 42.92 40.28 1hl5 s ASP 96 CO 0.08 -0.92 1.32 -0.69 -0.00 0.00 0.00 175.17 174.96 1hl5 s VAL 97 N 2.03 3.35 -0.27 -1.27 1.01 0.41 -4.90 120.40 120.76 1hl5 s VAL 97 Ca 0.33 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 1hl5 s VAL 97 Cb -0.05 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.80 1hl5 s VAL 97 CO -0.08 0.12 0.38 -0.55 0.00 0.00 0.00 175.10 174.98 1hl5 s SER 98 N 0.65 0.48 0.02 3.32 0.15 -1.25 -2.04 113.70 115.03 1hl5 s SER 98 Ca 0.59 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1hl5 s SER 98 Cb -0.36 1.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1hl5 s SER 98 CO 0.35 -0.33 -0.05 -0.63 1.20 0.00 0.00 173.24 173.77 1hl5 s ILE 99 N 2.52 0.37 -0.08 6.45 1.01 0.09 -5.01 121.20 126.54 1hl5 s ILE 99 Ca 0.11 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1hl5 s ILE 99 Cb -0.14 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 1hl5 s ILE 99 CO -0.23 -0.21 -0.23 -0.70 0.00 0.00 0.00 174.94 173.56 1hl5 s GLU 100 N -0.94 2.74 -0.02 2.79 2.12 -1.26 -0.61 118.70 123.52 1hl5 s GLU 100 Ca -0.06 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.43 1hl5 s GLU 100 Cb -0.06 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.16 1hl5 s GLU 100 CO -0.00 0.25 -0.05 0.34 -0.54 0.00 0.00 175.26 175.26 1hl5 s ASP 101 N 0.16 0.73 0.00 -1.70 2.15 -0.12 -4.94 116.67 112.96 1hl5 s ASP 101 Ca -0.12 -0.10 0.13 0.00 0.43 0.00 0.00 52.55 52.88 1hl5 s ASP 101 Cb -0.16 -0.21 0.35 0.00 -0.30 0.00 0.00 42.92 42.60 1hl5 s ASP 101 CO 0.06 0.02 1.27 -1.20 -0.17 0.00 0.00 175.17 175.15 1hl5 n SER 102 N 3.39 3.03 -0.09 -0.34 7.64 -1.26 0.48 113.62 126.48 1hl5 n SER 102 Ca -0.18 -1.95 -0.21 0.00 1.01 0.00 0.00 58.87 57.54 1hl5 n SER 102 Cb 0.55 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.76 1.57 -1.34 0.44 0.31 -1.26 -4.86 118.33 113.95 1hl5 n VAL 103 Ca 0.14 -0.54 -0.29 0.00 -0.01 0.00 0.00 64.34 63.63 1hl5 n VAL 103 Cb 0.45 -1.59 0.13 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.52 2.55 0.12 2.52 -4.36 -1.26 -4.88 121.20 113.36 1hl5 s ILE 104 Ca -0.32 0.18 -0.17 0.00 -0.26 0.00 0.00 60.65 60.08 1hl5 s ILE 104 Cb 0.09 -2.77 0.04 0.00 1.25 0.00 0.00 42.46 41.06 1hl5 s ILE 104 CO 0.63 -0.23 0.41 -0.55 0.24 0.00 0.00 174.94 175.44 1hl5 s SER 105 N -3.65 -0.26 0.00 4.36 0.15 -0.95 -4.71 113.70 108.65 1hl5 s SER 105 Ca 0.63 -0.27 0.23 0.00 0.70 0.00 0.00 55.95 57.24 1hl5 s SER 105 Cb -0.17 0.48 0.51 0.00 -1.71 0.00 0.00 66.02 65.13 1hl5 s SER 105 CO 0.56 -0.84 1.45 0.18 1.20 0.00 0.00 173.24 175.79 1hl5 n LEU 106 N -0.16 3.53 -1.77 3.45 4.77 -1.26 -1.43 117.00 124.12 1hl5 n LEU 106 Ca -0.16 -1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 54.19 1hl5 n LEU 106 Cb 0.63 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1hl5 n LEU 106 CO 0.17 0.80 0.30 -1.54 -1.33 0.00 0.00 177.39 175.79 1hl5 n SER 107 N 1.49 -0.27 -0.37 -1.43 3.41 -1.26 -4.85 113.62 110.35 1hl5 n SER 107 Ca 0.21 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1hl5 n SER 107 Cb 0.60 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1hl5 n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hl5 n HIS 110 N -0.33 -0.37 -1.88 7.33 -0.00 -1.26 -4.77 115.22 113.93 1hl5 n HIS 110 Ca -0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.18 1hl5 n HIS 110 Cb 0.86 -0.46 -0.03 0.00 -0.00 0.00 0.00 29.99 30.37 1hl5 n HIS 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hl5 n ILE 112 N 3.37 0.24 -2.04 0.00 -5.35 -0.51 -4.93 119.36 110.15 1hl5 n ILE 112 Ca 0.12 -0.62 -0.41 0.00 -0.27 0.00 0.00 62.75 61.57 1hl5 n ILE 112 Cb 0.38 1.09 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.09 2.69 0.00 7.28 -1.09 -1.26 -2.09 121.20 125.65 1hl5 s ILE 113 Ca 0.19 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1hl5 s ILE 113 Cb 0.12 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 1hl5 s ILE 113 CO 0.17 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1hl5 n GLY 114 N 1.97 0.80 1.54 6.18 0.00 0.31 -4.99 105.19 111.00 1hl5 n GLY 114 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.01 1.07 -5.10 1.61 1.74 -0.89 -2.51 116.66 110.59 1hl5 n ARG 115 Ca 0.00 -1.34 -0.32 0.00 -0.77 0.00 0.00 57.85 55.41 1hl5 n ARG 115 Cb 0.00 0.08 -0.16 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 -0.91 2.40 -0.10 0.55 2.01 -1.05 -0.65 115.64 117.88 1hl5 s THR 116 Ca 0.16 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 1hl5 s THR 116 Cb -0.01 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 1hl5 s THR 116 CO 0.10 0.56 0.34 -0.22 -0.69 0.00 0.00 174.62 174.71 1hl5 s LEU 117 N 0.09 4.34 -0.03 4.42 2.96 -0.18 0.55 118.68 130.83 1hl5 s LEU 117 Ca -0.10 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1hl5 s LEU 117 Cb -0.15 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1hl5 s LEU 117 CO 0.06 0.19 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.47 1hl5 s VAL 118 N -0.16 0.99 -0.08 1.68 1.01 -0.00 -1.76 120.40 122.08 1hl5 s VAL 118 Ca 0.20 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1hl5 s VAL 118 Cb -0.14 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1hl5 s VAL 118 CO 0.08 0.30 -0.11 0.54 0.00 0.00 0.00 175.10 175.90 1hl5 s VAL 119 N 0.15 3.29 0.38 2.92 0.11 -0.67 -1.76 120.40 124.81 1hl5 s VAL 119 Ca -0.03 -0.62 0.08 0.00 -2.93 0.00 0.00 61.98 58.47 1hl5 s VAL 119 Cb -0.10 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1hl5 s VAL 119 CO 0.01 0.57 0.35 -1.00 -3.33 0.00 0.00 175.10 171.70 1hl5 s HIS 120 N -0.46 2.80 0.17 1.54 3.76 -0.09 -1.01 115.29 122.01 1hl5 s HIS 120 Ca 0.06 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1hl5 s HIS 120 Cb -0.12 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.59 1hl5 s HIS 120 CO 0.02 0.00 1.57 1.49 -0.85 0.00 0.00 174.74 176.97 1hl5 h GLU 121 N 1.11 0.98 -5.12 1.40 4.81 -0.54 -3.39 114.58 113.83 1hl5 h GLU 121 Ca -0.43 -0.41 -0.62 0.00 -0.13 0.00 0.00 59.36 57.77 1hl5 h GLU 121 Cb 1.26 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1hl5 h GLU 121 CO 0.57 1.08 -0.51 0.15 -0.73 0.00 0.00 179.01 179.57 1hl5 s LYS 122 N -4.69 2.06 0.46 1.92 1.02 -0.17 -4.92 119.74 115.43 1hl5 s LYS 122 Ca -0.11 -2.29 -0.21 0.00 0.02 0.00 0.00 55.97 53.38 1hl5 s LYS 122 Cb 0.12 -1.05 -0.09 0.00 -0.52 0.00 0.00 37.83 36.30 1hl5 s LYS 122 CO 0.87 -0.42 1.04 0.00 -0.92 0.00 0.00 175.35 175.92 1hl5 s ALA 123 N -3.04 2.94 -0.10 5.17 0.00 -1.17 -1.09 121.76 124.46 1hl5 s ALA 123 Ca 0.15 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1hl5 s ALA 123 Cb 0.02 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1hl5 s ALA 123 CO 0.09 -0.28 0.75 0.34 0.00 0.00 0.00 175.76 176.65 1hl5 s ASP 124 N -1.85 6.97 0.00 0.00 -1.08 -1.26 -3.90 116.67 115.55 1hl5 s ASP 124 Ca 0.64 1.18 0.15 0.00 -0.52 0.00 0.00 52.55 54.00 1hl5 s ASP 124 Cb -0.18 -2.43 0.75 0.00 -1.46 0.00 0.00 42.92 39.60 1hl5 s ASP 124 CO 0.22 -0.21 1.50 -0.90 0.52 0.00 0.00 175.17 176.30 1hl5 n ASP 125 N 4.29 0.56 -2.39 -0.34 5.68 0.34 -4.89 116.55 119.80 1hl5 n ASP 125 Ca 0.01 -1.64 -0.21 0.00 -0.50 0.00 0.00 54.79 52.44 1hl5 n ASP 125 Cb 0.50 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.36 -1.97 0.00 -2.12 4.77 -1.26 -1.84 117.00 114.22 1hl5 n LEU 126 Ca 0.12 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1hl5 n LEU 126 Cb 0.14 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 1hl5 n LEU 126 CO 0.09 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1hl5 n GLY 127 N -1.03 0.66 1.27 -0.72 0.00 -1.25 -3.43 105.19 100.69 1hl5 n GLY 127 Ca -0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.64 3.51 0.07 1.61 5.02 -0.77 -4.60 118.16 120.37 1hl5 n LYS 128 Ca 0.00 -2.76 0.13 0.00 -2.02 0.00 0.00 58.31 53.66 1hl5 n LYS 128 Cb 0.00 -1.81 0.42 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.53 -1.61 2.15 0.72 0.00 -1.26 -4.96 105.19 100.75 1hl5 n GLY 129 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 1.36 0.68 3.25 -0.02 0.00 -1.26 -4.98 105.19 104.23 1hl5 n GLY 130 Ca 0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.81 1.10 0.39 1.61 2.20 -1.26 -5.05 114.94 111.13 1hl5 s ASN 131 Ca 0.00 -1.24 0.07 0.00 -0.94 0.00 0.00 52.86 50.75 1hl5 s ASN 131 Cb 0.00 0.15 0.81 0.00 -2.00 0.00 0.00 41.25 40.21 1hl5 s ASN 131 CO 0.00 -0.64 1.99 -0.08 -2.94 0.00 0.00 177.10 175.44 1hl5 h GLU 132 N 2.61 0.45 -0.72 3.55 4.22 -2.00 -2.36 114.58 120.34 1hl5 h GLU 132 Ca -0.37 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 58.98 1hl5 h GLU 132 Cb 1.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1hl5 h GLU 132 CO 0.61 0.39 0.31 1.49 -2.18 0.00 0.00 179.01 179.63 1hl5 h GLU 133 N 0.45 1.04 -1.00 1.92 4.57 -2.00 -2.01 114.58 117.55 1hl5 h GLU 133 Ca 0.11 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1hl5 h GLU 133 Cb 0.12 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 1hl5 h GLU 133 CO -0.01 0.83 0.65 1.03 -1.18 0.00 0.00 179.01 180.34 1hl5 h SER 134 N 1.03 1.07 0.43 1.04 0.87 -1.77 0.34 113.55 116.56 1hl5 h SER 134 Ca 0.24 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1hl5 h SER 134 Cb 0.16 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1hl5 h SER 134 CO -0.02 0.71 0.00 0.35 -0.53 0.00 0.00 176.83 177.33 1hl5 n THR 135 N -4.47 0.34 -0.08 2.23 -2.24 -0.78 -2.00 114.28 107.27 1hl5 n THR 135 Ca 0.14 0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.85 1hl5 n THR 135 Cb 0.14 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.30 0.38 0.00 -0.78 5.02 -0.28 -0.24 118.16 120.95 1hl5 n LYS 136 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1hl5 n LYS 136 Cb 0.18 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -3.92 0.00 -1.09 -0.18 -2.24 -0.05 -4.66 114.28 102.14 1hl5 n THR 137 Ca -0.29 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1hl5 n THR 137 Cb 0.64 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.16 0.53 2.78 3.38 0.00 -0.85 -3.15 105.19 108.04 1hl5 n GLY 138 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.29 -6.05 0.00 1.61 3.02 -1.26 -0.50 115.26 111.79 1hl5 n ASN 139 Ca -0.03 -0.18 0.14 0.00 -0.03 0.00 0.00 54.58 54.48 1hl5 n ASN 139 Cb 0.29 -4.95 0.77 0.00 -0.61 0.00 0.00 39.78 35.28 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 -2.96 2.46 -0.25 5.41 0.00 -1.19 -4.70 120.51 119.28 1hl5 n ALA 140 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1hl5 n ALA 140 Cb 0.65 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.97 -0.41 3.81 0.00 0.00 -1.26 -1.00 105.19 107.30 1hl5 n GLY 141 Ca 0.17 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 5.20 -0.48 1.61 1.04 -1.26 -4.58 113.70 111.23 1hl5 s SER 142 Ca 0.00 1.69 -0.22 0.00 0.48 0.00 0.00 55.95 57.90 1hl5 s SER 142 Cb 0.00 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.65 1hl5 s SER 142 CO 0.00 -1.57 0.74 -0.13 0.98 0.00 0.00 173.24 173.26 1hl5 s ARG 143 N -4.93 3.28 0.07 4.02 0.52 -1.26 -0.20 118.95 120.45 1hl5 s ARG 143 Ca 0.59 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1hl5 s ARG 143 Cb -0.15 -4.00 -0.26 0.00 0.52 0.00 0.00 34.95 31.05 1hl5 s ARG 143 CO 0.54 -1.19 1.13 -0.07 0.02 0.00 0.00 175.30 175.73 1hl5 h LEU 144 N 10.08 0.31 -7.09 2.53 3.38 -1.37 -3.47 115.31 119.68 1hl5 h LEU 144 Ca -0.26 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1hl5 h LEU 144 Cb 1.09 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.54 1hl5 h LEU 144 CO 0.97 1.28 0.10 0.00 0.09 0.00 0.00 178.44 180.87 1hl5 s ALA 145 N -2.66 -1.59 0.25 1.53 0.00 -1.17 -4.15 121.76 113.97 1hl5 s ALA 145 Ca -0.03 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1hl5 s ALA 145 Cb 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1hl5 s ALA 145 CO 0.86 -0.35 0.60 0.00 0.00 0.00 0.00 175.76 176.87 1hl5 s GLY 147 N -2.93 -0.48 0.24 0.00 0.00 -0.72 -1.40 107.32 102.02 1hl5 s GLY 147 Ca 0.14 0.71 -0.27 0.00 0.00 0.00 0.00 44.72 45.30 1hl5 s GLY 147 CO 0.05 0.23 0.88 0.14 0.00 0.00 0.00 173.10 174.40 1hl5 s VAL 148 N -3.38 4.22 -0.26 1.40 1.01 -1.26 -1.01 120.40 121.13 1hl5 s VAL 148 Ca 0.05 1.86 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 1hl5 s VAL 148 Cb -0.01 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1hl5 s VAL 148 CO -0.09 0.39 0.81 -0.63 0.00 0.00 0.00 175.10 175.58 1hl5 s ILE 149 N -1.32 4.83 0.29 2.22 1.01 0.17 -4.49 121.20 123.92 1hl5 s ILE 149 Ca 0.42 1.45 0.10 0.00 0.00 0.00 0.00 60.65 62.62 1hl5 s ILE 149 Cb -0.23 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 1hl5 s ILE 149 CO 0.27 -0.11 -0.03 -0.83 0.00 0.00 0.00 174.94 174.25 1hl5 s GLY 150 N 1.42 1.81 0.16 6.18 0.00 0.31 -0.53 107.32 116.67 1hl5 s GLY 150 Ca 0.34 -1.78 -0.31 0.00 0.00 0.00 0.00 44.72 42.97 1hl5 s GLY 150 CO 0.09 -1.81 1.42 -0.42 0.00 0.00 0.00 173.10 172.38 1hl5 s ILE 151 N -2.41 3.06 0.30 0.90 1.01 -1.26 -0.47 121.20 122.32 1hl5 s ILE 151 Ca 0.32 0.79 0.10 0.00 0.00 0.00 0.00 60.65 61.86 1hl5 s ILE 151 Cb -0.04 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1hl5 s ILE 151 CO 0.19 0.08 -0.04 0.00 0.00 0.00 0.00 174.94 175.17 1hl5 s ALA 152 N 0.81 3.09 -2.00 9.38 0.00 -0.42 -4.79 121.76 127.83 1hl5 s ALA 152 Ca 0.64 -1.83 0.15 0.00 0.00 0.00 0.00 51.96 50.92 1hl5 s ALA 152 Cb -0.39 -0.50 0.90 0.00 0.00 0.00 0.00 23.12 23.13 1hl5 s ALA 152 CO 0.33 0.19 1.31 0.94 0.00 0.00 0.00 175.76 178.53