#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 4.54 0.05 0.00 2.01 -0.66 -4.92 115.64 116.66 1hl5 s THR 2 Ca 0.00 2.06 0.05 0.00 0.31 0.00 0.00 61.69 64.11 1hl5 s THR 2 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1hl5 s THR 2 CO 0.00 0.30 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.56 1hl5 s LYS 3 N 0.09 0.86 0.15 4.92 1.02 -1.26 -0.84 119.74 124.68 1hl5 s LYS 3 Ca 0.47 -0.84 -0.06 0.00 0.02 0.00 0.00 55.97 55.56 1hl5 s LYS 3 Cb -0.23 -0.87 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 1hl5 s LYS 3 CO 0.30 0.20 0.20 0.00 -0.92 0.00 0.00 175.35 175.13 1hl5 s ALA 4 N -1.05 0.30 0.07 5.17 0.00 -0.34 -1.42 121.76 124.48 1hl5 s ALA 4 Ca -0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1hl5 s ALA 4 Cb -0.09 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1hl5 s ALA 4 CO 0.02 -0.59 0.28 0.54 0.00 0.00 0.00 175.76 176.01 1hl5 s VAL 5 N -3.99 0.10 -0.10 0.00 0.11 0.00 -0.90 120.40 115.61 1hl5 s VAL 5 Ca 0.19 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.38 1hl5 s VAL 5 Cb 0.05 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1hl5 s VAL 5 CO 0.00 -0.45 0.23 0.00 -3.33 0.00 0.00 175.10 171.56 1hl5 s VAL 7 N 1.25 5.21 -0.20 0.00 1.01 -1.26 -0.84 120.40 125.57 1hl5 s VAL 7 Ca -0.09 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1hl5 s VAL 7 Cb -0.10 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1hl5 s VAL 7 CO -0.08 -0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.71 1hl5 s LEU 8 N 1.92 4.15 0.04 3.92 1.43 0.31 -3.90 118.68 126.55 1hl5 s LEU 8 Ca 0.10 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1hl5 s LEU 8 Cb -0.17 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1hl5 s LEU 8 CO 0.11 -0.18 -0.01 -0.54 0.23 0.00 0.00 176.35 175.96 1hl5 s LYS 9 N 1.63 0.50 0.00 1.70 1.02 -0.70 -1.77 119.74 122.12 1hl5 s LYS 9 Ca 0.24 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1hl5 s LYS 9 Cb -0.15 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1hl5 s LYS 9 CO 0.10 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1hl5 n GLY 10 N 0.74 3.40 0.00 -3.33 0.00 -1.25 -1.16 105.19 103.58 1hl5 n GLY 10 Ca -0.18 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.19 0.00 1.61 8.00 -1.26 -4.89 116.55 120.20 1hl5 n ASP 11 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1hl5 n ASP 11 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.50 5.06 0.22 0.44 0.00 -1.26 -5.02 105.19 106.12 1hl5 n GLY 12 Ca 0.07 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 0.96 -2.34 1.61 -0.04 -1.26 -4.86 135.00 129.07 1hl5 n PRO 13 Ca 0.00 -0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 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 -2.35 3.98 0.01 0.52 1.01 -1.26 -4.38 120.40 117.94 1hl5 s VAL 14 Ca 0.31 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.43 1hl5 s VAL 14 Cb 0.20 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1hl5 s VAL 14 CO 0.45 -0.01 0.40 0.00 0.00 0.00 0.00 175.10 175.94 1hl5 s GLN 15 N 2.41 0.84 0.05 2.72 -2.07 -0.90 -3.85 119.66 118.87 1hl5 s GLN 15 Ca 0.60 -0.24 -0.27 0.00 -1.82 0.00 0.00 55.36 53.62 1hl5 s GLN 15 Cb -0.28 0.38 0.10 0.00 -1.09 0.00 0.00 33.01 32.12 1hl5 s GLN 15 CO 0.24 -0.27 1.19 0.20 -1.32 0.00 0.00 175.29 175.33 1hl5 s GLY 16 N -1.68 -0.19 -0.05 2.60 0.00 -0.73 -0.06 107.32 107.21 1hl5 s GLY 16 Ca -0.09 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1hl5 s GLY 16 CO 0.01 2.21 -0.08 -0.42 0.00 0.00 0.00 173.10 174.83 1hl5 s ILE 17 N -2.36 0.78 -0.06 0.90 1.01 -0.70 -0.53 121.20 120.24 1hl5 s ILE 17 Ca 0.20 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1hl5 s ILE 17 Cb 0.01 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1hl5 s ILE 17 CO -0.00 0.27 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 1hl5 s ILE 18 N 0.69 1.48 0.04 2.92 -1.09 -0.02 -2.20 121.20 123.02 1hl5 s ILE 18 Ca -0.11 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.61 1hl5 s ILE 18 Cb -0.14 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.41 1hl5 s ILE 18 CO 0.02 0.43 0.06 0.20 -1.23 0.00 0.00 174.94 174.41 1hl5 s ASN 19 N 0.27 5.45 -0.03 3.58 -0.87 0.83 -0.61 114.94 123.56 1hl5 s ASN 19 Ca -0.10 0.03 0.04 0.00 -1.57 0.00 0.00 52.86 51.26 1hl5 s ASN 19 Cb -0.14 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.25 39.61 1hl5 s ASN 19 CO 0.04 0.22 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.28 1hl5 s PHE 20 N -1.26 1.49 -0.04 2.20 0.40 -0.08 -1.19 117.98 119.50 1hl5 s PHE 20 Ca 0.25 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1hl5 s PHE 20 Cb -0.12 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1hl5 s PHE 20 CO 0.17 -0.10 0.09 -2.00 0.70 0.00 0.00 175.22 174.08 1hl5 s GLU 21 N -0.10 0.07 -0.21 0.44 2.12 -0.23 -1.20 118.70 119.59 1hl5 s GLU 21 Ca 0.00 0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.48 1hl5 s GLU 21 Cb -0.09 -0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.32 1hl5 s GLU 21 CO 0.01 -0.07 0.07 -1.14 -0.54 0.00 0.00 175.26 173.59 1hl5 s GLN 22 N 0.45 0.40 0.28 4.30 0.74 -0.02 -0.64 119.66 125.17 1hl5 s GLN 22 Ca -0.03 -0.40 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 1hl5 s GLN 22 Cb -0.05 -1.87 0.39 0.00 1.10 0.00 0.00 33.01 32.59 1hl5 s GLN 22 CO -0.02 -0.74 1.78 0.87 -0.55 0.00 0.00 175.29 176.62 1hl5 h LYS 23 N 8.31 0.71 -4.18 1.67 6.56 -1.83 -1.02 116.57 126.78 1hl5 h LYS 23 Ca -0.16 -0.19 -0.24 0.00 -1.06 0.00 0.00 60.65 58.99 1hl5 h LYS 23 Cb 1.10 -0.08 -0.24 0.00 -0.57 0.00 0.00 32.23 32.44 1hl5 h LYS 23 CO 0.35 0.74 -0.72 -1.21 -2.06 0.00 0.00 179.45 176.55 1hl5 s GLU 24 N -4.92 0.34 0.43 3.15 0.41 -1.26 -2.78 118.70 114.07 1hl5 s GLU 24 Ca -0.09 -0.46 0.30 0.00 -0.41 0.00 0.00 54.97 54.31 1hl5 s GLU 24 Cb 0.15 -0.14 1.49 0.00 -1.78 0.00 0.00 34.13 33.84 1hl5 s GLU 24 CO 0.80 0.02 1.91 0.66 -0.49 0.00 0.00 175.26 178.16 1hl5 h SER 25 N 5.15 0.00 -0.28 -0.19 4.64 -1.98 0.14 113.55 121.03 1hl5 h SER 25 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1hl5 h SER 25 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hl5 h SER 25 CO 0.45 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.95 1hl5 n ASN 26 N -2.60 3.20 -4.99 4.97 6.94 -1.26 -4.92 115.26 116.59 1hl5 n ASN 26 Ca -0.01 -1.97 -0.19 0.00 -0.02 0.00 0.00 54.58 52.40 1hl5 n ASN 26 Cb 0.13 -0.18 0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1hl5 s GLY 27 N -1.63 1.86 0.74 4.83 0.00 0.47 -5.08 107.32 108.51 1hl5 s GLY 27 Ca 0.36 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 1hl5 s GLY 27 CO 0.31 -1.47 1.10 -4.14 0.00 0.00 0.00 173.10 168.90 1hl5 s PRO 28 N -4.54 2.38 -0.19 2.90 0.02 -1.26 -4.87 135.00 129.43 1hl5 s PRO 28 Ca 0.58 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.81 1hl5 s PRO 28 Cb -0.09 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1hl5 s PRO 28 CO 0.36 -1.56 0.03 0.08 -0.33 0.00 0.00 177.00 175.57 1hl5 s VAL 29 N -2.68 4.29 0.01 3.83 1.01 0.37 -4.43 120.40 122.80 1hl5 s VAL 29 Ca 0.64 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1hl5 s VAL 29 Cb -0.19 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1hl5 s VAL 29 CO 0.51 0.44 0.57 -0.54 0.00 0.00 0.00 175.10 176.08 1hl5 s LYS 30 N 0.74 4.27 -0.13 2.72 1.02 0.19 -1.09 119.74 127.46 1hl5 s LYS 30 Ca 0.01 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.71 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 0.43 -0.14 0.08 -0.92 0.00 0.00 175.35 174.83 1hl5 s VAL 31 N -0.40 1.48 -0.06 3.17 1.01 0.34 -1.07 120.40 124.88 1hl5 s VAL 31 Ca 0.30 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 1hl5 s VAL 31 Cb -0.18 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.86 1hl5 s VAL 31 CO 0.17 0.44 0.59 -1.66 0.00 0.00 0.00 175.10 174.64 1hl5 s TRP 32 N 1.37 -0.56 -3.94 5.22 -2.14 -0.33 -0.08 118.94 118.49 1hl5 s TRP 32 Ca 0.02 1.01 0.00 0.00 2.66 0.00 0.00 56.10 59.79 1hl5 s TRP 32 Cb -0.13 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.56 1hl5 s TRP 32 CO -0.08 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1hl5 n GLY 33 N 1.21 -0.81 3.05 3.67 0.00 -0.77 -0.12 105.19 111.41 1hl5 n GLY 33 Ca -0.19 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 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 1.54 -0.10 1.61 0.15 -0.94 -0.66 113.70 111.31 1hl5 s SER 34 Ca 0.00 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.43 1hl5 s SER 34 Cb 0.00 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.90 1hl5 s SER 34 CO 0.00 0.09 -0.17 -0.63 1.20 0.00 0.00 173.24 173.73 1hl5 s ILE 35 N 0.15 1.60 0.38 6.45 1.01 -0.19 -1.72 121.20 128.89 1hl5 s ILE 35 Ca -0.04 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1hl5 s ILE 35 Cb -0.10 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1hl5 s ILE 35 CO 0.01 0.46 0.30 -0.54 0.00 0.00 0.00 174.94 175.18 1hl5 s LYS 36 N 0.79 2.53 0.00 2.79 3.01 0.91 -0.28 119.74 129.49 1hl5 s LYS 36 Ca -0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 55.97 53.35 1hl5 s LYS 36 Cb -0.16 -2.34 0.00 0.00 -1.01 0.00 0.00 37.83 34.33 1hl5 s LYS 36 CO 0.01 -0.07 0.00 0.41 0.51 0.00 0.00 175.35 176.21 1hl5 n GLY 37 N -1.42 0.61 3.91 -3.33 0.00 -0.97 -2.11 105.19 101.87 1hl5 n GLY 37 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 3.60 0.55 0.99 1.43 -0.47 -4.33 118.68 120.45 1hl5 s LEU 38 Ca 0.00 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 1hl5 s LEU 38 Cb 0.00 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 1hl5 s LEU 38 CO 0.00 -0.61 1.05 0.42 0.23 0.00 0.00 176.35 177.44 1hl5 s THR 39 N -2.76 3.85 0.29 5.49 -4.23 -1.26 -4.12 115.64 112.90 1hl5 s THR 39 Ca 0.48 0.97 -0.30 0.00 -1.18 0.00 0.00 61.69 61.66 1hl5 s THR 39 Cb -0.10 -3.43 -0.11 0.00 1.34 0.00 0.00 72.50 70.20 1hl5 s THR 39 CO 0.45 -0.43 1.47 -0.70 -0.54 0.00 0.00 174.62 174.88 1hl5 s GLU 40 N -3.79 4.21 0.00 3.99 2.12 -1.26 -4.56 118.70 119.41 1hl5 s GLU 40 Ca 0.65 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.38 1hl5 s GLU 40 Cb -0.16 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1hl5 s GLU 40 CO 0.31 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1hl5 n GLY 41 N 1.76 0.52 3.77 -1.50 0.00 -0.57 -4.92 105.19 104.24 1hl5 n GLY 41 Ca 0.05 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 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 4.61 -0.03 0.99 1.43 -1.26 -0.92 118.68 123.50 1hl5 s LEU 42 Ca 0.00 1.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.89 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 0.17 0.02 -1.00 0.23 0.00 0.00 176.35 175.77 1hl5 s HIS 43 N -1.19 0.16 0.61 0.29 3.76 -0.01 -2.93 115.29 115.99 1hl5 s HIS 43 Ca 0.39 0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 55.19 1hl5 s HIS 43 Cb -0.24 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.07 1hl5 s HIS 43 CO 0.29 -0.12 1.32 0.20 -0.85 0.00 0.00 174.74 175.57 1hl5 s GLY 44 N 1.20 2.87 -0.21 -2.22 0.00 -0.27 -0.79 107.32 107.91 1hl5 s GLY 44 Ca -0.07 1.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.86 1hl5 s GLY 44 CO -0.03 1.71 0.24 -0.12 0.00 0.00 0.00 173.10 174.91 1hl5 s PHE 45 N -1.36 -0.33 0.05 1.90 5.36 -0.14 -1.00 117.98 122.44 1hl5 s PHE 45 Ca 0.79 0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 57.02 1hl5 s PHE 45 Cb -0.38 -0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 41.95 1hl5 s PHE 45 CO 0.42 -0.61 0.02 -1.01 -1.46 0.00 0.00 175.22 172.58 1hl5 s HIS 46 N 2.35 0.37 -0.28 10.12 3.76 -0.54 -3.00 115.29 128.07 1hl5 s HIS 46 Ca 0.07 -0.81 -0.16 0.00 -0.15 0.00 0.00 55.06 54.01 1hl5 s HIS 46 Cb -0.16 -0.27 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1hl5 s HIS 46 CO -0.12 -0.37 0.42 0.08 -0.85 0.00 0.00 174.74 173.90 1hl5 s VAL 47 N -3.27 5.13 0.23 -0.90 1.01 -0.13 -0.43 120.40 122.04 1hl5 s VAL 47 Ca 0.01 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1hl5 s VAL 47 Cb 0.03 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1hl5 s VAL 47 CO -0.08 0.09 0.38 -1.00 0.00 0.00 0.00 175.10 174.49 1hl5 s HIS 48 N 2.16 3.47 0.17 5.22 3.76 0.16 -1.14 115.29 129.08 1hl5 s HIS 48 Ca 0.17 0.12 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 1hl5 s HIS 48 Cb -0.16 -1.69 0.06 0.00 1.11 0.00 0.00 32.58 31.91 1hl5 s HIS 48 CO 0.10 0.40 1.69 1.49 -0.85 0.00 0.00 174.74 177.57 1hl5 h GLU 49 N 1.47 0.91 -5.71 1.40 4.81 -0.65 -2.78 114.58 114.02 1hl5 h GLU 49 Ca -0.50 -0.20 -0.66 0.00 -0.13 0.00 0.00 59.36 57.86 1hl5 h GLU 49 Cb 1.21 -0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.26 1hl5 h GLU 49 CO 0.64 0.83 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.99 1hl5 s PHE 50 N -5.37 2.95 -0.12 0.92 0.08 -0.18 -4.67 117.98 111.60 1hl5 s PHE 50 Ca -0.13 -0.19 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 1hl5 s PHE 50 Cb 0.13 -1.82 -0.18 0.00 -0.57 0.00 0.00 43.02 40.57 1hl5 s PHE 50 CO 0.81 0.12 3.38 0.41 -0.10 0.00 0.00 175.22 179.83 1hl5 n GLY 51 N 2.90 3.35 3.15 4.36 0.00 -1.02 -3.72 105.19 114.21 1hl5 n GLY 51 Ca -0.18 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 1.56 4.43 -0.16 1.61 -1.08 -1.26 -4.96 116.67 116.81 1hl5 s ASP 52 Ca 0.64 -1.13 0.17 0.00 -0.52 0.00 0.00 52.55 51.71 1hl5 s ASP 52 Cb 0.33 -1.63 0.46 0.00 -1.46 0.00 0.00 42.92 40.63 1hl5 s ASP 52 CO -0.06 -0.18 1.35 -3.20 0.52 0.00 0.00 175.17 173.60 1hl5 n ASN 53 N 4.58 3.48 0.19 -0.34 4.05 -1.26 -2.62 115.26 123.34 1hl5 n ASN 53 Ca -0.15 -3.01 0.06 0.00 0.45 0.00 0.00 54.58 51.93 1hl5 n ASN 53 Cb 0.45 -0.51 0.56 0.00 1.23 0.00 0.00 39.78 41.51 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 1.35 1.05 -0.93 -0.44 1.35 -1.93 -1.74 112.91 111.62 1hl5 h THR 54 Ca 0.00 -0.16 -0.58 0.00 -0.55 0.00 0.00 66.41 65.12 1hl5 h THR 54 Cb 1.32 0.94 -0.41 0.00 -1.73 0.00 0.00 68.15 68.28 1hl5 h THR 54 CO 0.16 0.06 -0.55 0.00 -0.25 0.00 0.00 175.52 174.94 1hl5 n ALA 55 N -2.52 5.23 -0.59 6.62 0.00 -1.26 -5.05 120.51 122.94 1hl5 n ALA 55 Ca -0.02 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1hl5 n ALA 55 Cb 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.26 0.28 0.00 0.00 -0.66 -3.36 105.19 101.01 1hl5 n GLY 56 Ca 0.46 -0.89 0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.11 0.00 0.00 2.02 -1.89 -2.56 112.91 111.59 1hl5 h THR 58 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1hl5 h THR 58 Cb 0.45 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1hl5 h THR 58 CO 0.00 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1hl5 n SER 59 N -4.45 0.00 0.00 4.18 3.41 -1.06 -3.08 113.62 112.61 1hl5 n SER 59 Ca 0.08 -0.93 0.07 0.00 -0.26 0.00 0.00 58.87 57.84 1hl5 n SER 59 Cb 0.11 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.00 1.72 -0.29 7.33 0.00 -0.96 -4.49 120.51 122.82 1hl5 n ALA 60 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1hl5 n ALA 60 Cb 0.10 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.09 -0.91 0.27 0.00 0.00 -1.18 -1.01 105.19 102.46 1hl5 n GLY 61 Ca 0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.06 0.20 -2.23 1.61 -0.04 -1.26 -4.62 135.00 128.59 1hl5 n PRO 62 Ca 0.00 -0.16 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1hl5 n PRO 62 Cb 0.00 -0.07 -0.02 0.00 -0.04 0.00 0.00 33.50 33.37 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 -0.67 3.01 0.01 0.54 3.76 -1.26 -0.51 115.29 120.17 1hl5 s HIS 63 Ca 0.05 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 1hl5 s HIS 63 Cb -0.00 -3.47 -0.08 0.00 1.11 0.00 0.00 32.58 30.14 1hl5 s HIS 63 CO 0.03 -1.51 1.97 0.12 -0.85 0.00 0.00 174.74 174.51 1hl5 s PHE 64 N -1.36 1.30 -0.42 1.40 5.36 -0.29 -4.48 117.98 119.49 1hl5 s PHE 64 Ca 0.57 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 56.28 1hl5 s PHE 64 Cb -0.33 -4.20 0.30 0.00 -0.34 0.00 0.00 43.02 38.45 1hl5 s PHE 64 CO 0.42 -5.35 0.81 -1.71 -1.46 0.00 0.00 175.22 167.92 1hl5 n ASN 65 N 7.90 -0.89 0.09 6.13 5.15 -1.26 -1.35 115.26 131.03 1hl5 n ASN 65 Ca 0.21 -3.17 0.10 0.00 -0.60 0.00 0.00 54.58 51.11 1hl5 n ASN 65 Cb 0.42 0.53 0.43 0.00 -0.53 0.00 0.00 39.78 40.62 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 0.84 0.13 -0.14 1.20 -0.04 -1.26 -1.97 135.00 133.77 1hl5 n PRO 66 Ca 0.16 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1hl5 n PRO 66 Cb 0.63 -1.76 0.24 0.00 -0.04 0.00 0.00 33.50 32.57 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 -2.00 3.02 -3.68 1.53 4.77 -1.26 -4.98 117.00 114.39 1hl5 n LEU 67 Ca 0.02 -1.24 -0.25 0.00 -0.03 0.00 0.00 56.01 54.52 1hl5 n LEU 67 Cb 0.20 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1hl5 n LEU 67 CO 0.17 0.62 0.15 -1.20 -1.33 0.00 0.00 177.39 175.80 1hl5 n SER 68 N 1.23 -4.62 -5.02 -1.43 7.64 -0.83 -5.02 113.62 105.57 1hl5 n SER 68 Ca 0.18 -0.66 -0.18 0.00 1.01 0.00 0.00 58.87 59.22 1hl5 n SER 68 Cb 0.55 -4.58 0.03 0.00 -1.01 0.00 0.00 64.21 59.21 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 -6.23 2.56 0.49 1.43 0.52 -1.26 -5.12 118.95 111.34 1hl5 s ARG 69 Ca 0.45 -1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1hl5 s ARG 69 Cb -0.21 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 1hl5 s ARG 69 CO 0.77 -0.56 0.75 0.15 0.02 0.00 0.00 175.30 176.43 1hl5 s LYS 70 N -4.50 3.18 0.47 3.54 -0.14 -1.26 -4.75 119.74 116.28 1hl5 s LYS 70 Ca 0.58 -0.17 -0.23 0.00 -1.36 0.00 0.00 55.97 54.78 1hl5 s LYS 70 Cb -0.08 -2.45 -0.07 0.00 -1.68 0.00 0.00 37.83 33.56 1hl5 s LYS 70 CO 0.36 -0.33 1.22 -1.58 -0.76 0.00 0.00 175.35 174.26 1hl5 s HIS 71 N -2.70 2.76 0.03 3.18 5.65 -0.67 -3.40 115.29 120.15 1hl5 s HIS 71 Ca 0.49 1.49 -0.01 0.00 0.25 0.00 0.00 55.06 57.28 1hl5 s HIS 71 Cb -0.10 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.81 1hl5 s HIS 71 CO 0.41 -1.84 0.06 0.41 -0.65 0.00 0.00 174.74 173.13 1hl5 n GLY 72 N 0.54 2.16 3.94 1.59 0.00 -1.24 -4.46 105.19 107.72 1hl5 n GLY 72 Ca 0.07 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.16 1.69 0.57 -0.02 0.00 -1.23 -4.76 107.32 102.41 1hl5 s GLY 73 Ca 0.01 -0.99 0.33 0.00 0.00 0.00 0.00 44.72 44.07 1hl5 s GLY 73 CO 0.01 -0.68 2.17 -0.56 0.00 0.00 0.00 173.10 174.05 1hl5 h PRO 74 N -0.20 0.00 -0.00 2.90 0.13 -1.86 -1.65 132.00 131.32 1hl5 h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1hl5 h PRO 74 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1hl5 h PRO 74 CO 0.58 0.05 -0.23 1.63 -0.23 0.00 0.00 178.00 179.80 1hl5 n LYS 75 N -3.49 0.01 -2.87 0.86 5.02 -1.26 -4.89 118.16 111.53 1hl5 n LYS 75 Ca -0.02 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1hl5 n LYS 75 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 -3.00 7.27 0.17 4.39 1.01 -0.62 -4.97 116.67 120.93 1hl5 s ASP 76 Ca 0.13 1.72 -0.10 0.00 0.71 0.00 0.00 52.55 55.01 1hl5 s ASP 76 Cb 0.18 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.63 1hl5 s ASP 76 CO 0.61 -0.03 1.63 -0.08 0.21 0.00 0.00 175.17 177.51 1hl5 h GLU 77 N 3.27 1.02 -5.15 8.23 4.22 -1.90 -3.35 114.58 120.92 1hl5 h GLU 77 Ca -0.47 -0.32 -0.67 0.00 0.08 0.00 0.00 59.36 57.98 1hl5 h GLU 77 Cb 1.19 -0.09 -0.17 0.00 0.50 0.00 0.00 28.75 30.18 1hl5 h GLU 77 CO 0.65 1.01 0.67 -2.00 -2.18 0.00 0.00 179.01 177.16 1hl5 s GLU 78 N -5.03 3.38 0.10 1.92 2.56 -1.26 -4.96 118.70 115.41 1hl5 s GLU 78 Ca -0.12 -1.39 -0.13 0.00 0.00 0.00 0.00 54.97 53.34 1hl5 s GLU 78 Cb 0.13 -4.62 0.02 0.00 2.00 0.00 0.00 34.13 31.66 1hl5 s GLU 78 CO 0.85 -1.77 0.30 -0.98 -0.56 0.00 0.00 175.26 173.10 1hl5 s ARG 79 N 3.19 0.95 0.53 4.30 1.70 -1.22 -3.67 118.95 124.73 1hl5 s ARG 79 Ca 0.27 -0.81 -0.18 0.00 -0.47 0.00 0.00 55.73 54.54 1hl5 s ARG 79 Cb -0.11 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.61 1hl5 s ARG 79 CO -0.01 -0.34 1.02 -1.01 -1.08 0.00 0.00 175.30 173.88 1hl5 s HIS 80 N -3.77 3.13 0.43 5.89 3.76 -1.22 -4.71 115.29 118.80 1hl5 s HIS 80 Ca 0.03 1.53 0.11 0.00 -0.15 0.00 0.00 55.06 56.58 1hl5 s HIS 80 Cb 0.03 -2.96 0.97 0.00 1.11 0.00 0.00 32.58 31.73 1hl5 s HIS 80 CO -0.11 -0.76 2.05 0.28 -0.85 0.00 0.00 174.74 175.34 1hl5 h VAL 81 N 1.02 1.02 0.00 -0.90 2.07 -1.84 -1.73 116.25 115.89 1hl5 h VAL 81 Ca -0.48 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1hl5 h VAL 81 Cb 1.21 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1hl5 h VAL 81 CO 0.59 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1hl5 n GLY 82 N -1.50 -0.95 3.55 2.17 0.00 -0.45 -4.36 105.19 103.65 1hl5 n GLY 82 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.78 6.63 0.00 1.61 1.01 -0.65 -0.95 116.67 122.53 1hl5 s ASP 83 Ca 0.35 -1.84 0.13 0.00 0.71 0.00 0.00 52.55 51.90 1hl5 s ASP 83 Cb 0.16 -2.55 0.39 0.00 1.01 0.00 0.00 42.92 41.94 1hl5 s ASP 83 CO 0.27 -1.34 1.32 0.18 0.21 0.00 0.00 175.17 175.81 1hl5 n LEU 84 N 8.38 2.07 0.00 1.23 4.77 -1.16 -3.42 117.00 128.86 1hl5 n LEU 84 Ca 0.36 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1hl5 n LEU 84 Cb 0.49 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1hl5 n LEU 84 CO 0.67 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1hl5 n GLY 85 N 1.13 0.33 3.52 -0.72 0.00 -1.23 -4.78 105.19 103.43 1hl5 n GLY 85 Ca 0.14 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 3.93 0.30 1.61 0.01 -1.26 -0.97 114.94 114.57 1hl5 s ASN 86 Ca 0.00 -0.74 0.10 0.00 -0.71 0.00 0.00 52.86 51.52 1hl5 s ASN 86 Cb 0.00 -0.53 -0.05 0.00 0.41 0.00 0.00 41.25 41.08 1hl5 s ASN 86 CO 0.00 0.09 -0.08 0.68 -1.51 0.00 0.00 177.10 176.28 1hl5 s VAL 87 N -1.86 2.73 -0.15 1.60 -7.23 0.03 -4.90 120.40 110.62 1hl5 s VAL 87 Ca 0.25 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1hl5 s VAL 87 Cb -0.08 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1hl5 s VAL 87 CO 0.14 -0.31 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.54 1hl5 s THR 88 N -2.48 1.90 0.06 5.32 2.01 -1.26 -0.83 115.64 120.35 1hl5 s THR 88 Ca 0.32 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1hl5 s THR 88 Cb -0.03 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 1hl5 s THR 88 CO 0.18 0.52 0.43 0.00 -0.69 0.00 0.00 174.62 175.05 1hl5 s ALA 89 N 1.13 3.69 0.99 7.40 0.00 -0.10 -4.21 121.76 130.67 1hl5 s ALA 89 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1hl5 s ALA 89 Cb -0.14 -2.36 0.15 0.00 0.00 0.00 0.00 23.12 20.77 1hl5 s ALA 89 CO -0.07 0.51 0.89 -0.40 0.00 0.00 0.00 175.76 176.69 1hl5 n ASP 90 N 1.29 0.08 0.18 0.00 5.68 0.41 -1.51 116.55 122.68 1hl5 n ASP 90 Ca -0.10 -1.33 0.05 0.00 -0.50 0.00 0.00 54.79 52.91 1hl5 n ASP 90 Cb 0.52 -0.68 0.51 0.00 -1.14 0.00 0.00 41.12 40.33 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 0.14 0.00 0.11 5.09 -1.97 0.44 116.57 120.38 1hl5 h LYS 91 Ca -0.29 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.43 1hl5 h LYS 91 Cb 0.80 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.10 1hl5 h LYS 91 CO 0.21 0.19 0.00 -0.25 -2.09 0.00 0.00 179.45 177.51 1hl5 n ASP 92 N -4.41 0.00 0.00 7.07 8.00 -1.26 -4.76 116.55 121.19 1hl5 n ASP 92 Ca -0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1hl5 n ASP 92 Cb 0.17 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.54 0.60 3.50 0.44 0.00 0.15 -4.74 105.19 105.67 1hl5 n GLY 93 Ca 0.13 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 4.13 -0.33 1.61 1.01 -1.26 -1.37 120.40 122.19 1hl5 s VAL 94 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1hl5 s VAL 94 Cb 0.00 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 1hl5 s VAL 94 CO 0.00 0.45 0.19 0.00 0.00 0.00 0.00 175.10 175.74 1hl5 s ALA 95 N 0.69 3.34 -0.86 5.51 0.00 0.61 -0.44 121.76 130.61 1hl5 s ALA 95 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 1hl5 s ALA 95 Cb -0.14 -2.50 0.14 0.00 0.00 0.00 0.00 23.12 20.62 1hl5 s ALA 95 CO 0.02 -1.00 1.01 -0.51 0.00 0.00 0.00 175.76 175.28 1hl5 s ASP 96 N 1.64 6.58 0.15 0.00 -0.00 -1.26 -1.02 116.67 122.75 1hl5 s ASP 96 Ca 0.05 -2.02 -0.30 0.00 -0.00 0.00 0.00 52.55 50.28 1hl5 s ASP 96 Cb -0.17 -2.36 -0.07 0.00 -0.00 0.00 0.00 42.92 40.31 1hl5 s ASP 96 CO 0.08 -1.01 1.15 -0.69 -0.00 0.00 0.00 175.17 174.69 1hl5 s VAL 97 N 2.36 3.83 -0.27 -1.27 1.01 0.17 -4.90 120.40 121.32 1hl5 s VAL 97 Ca 0.27 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 1hl5 s VAL 97 Cb -0.08 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.50 1hl5 s VAL 97 CO -0.06 0.22 0.45 -0.55 0.00 0.00 0.00 175.10 175.15 1hl5 s SER 98 N 0.22 -0.17 0.06 3.32 0.15 -1.25 -1.86 113.70 114.18 1hl5 s SER 98 Ca 0.52 0.15 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1hl5 s SER 98 Cb -0.30 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1hl5 s SER 98 CO 0.34 -0.31 -0.11 -0.63 1.20 0.00 0.00 173.24 173.73 1hl5 s ILE 99 N 2.63 0.85 -0.06 6.45 1.01 0.89 -5.00 121.20 127.97 1hl5 s ILE 99 Ca 0.13 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.54 1hl5 s ILE 99 Cb -0.14 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1hl5 s ILE 99 CO -0.22 -0.35 -0.18 -0.70 0.00 0.00 0.00 174.94 173.49 1hl5 s GLU 100 N -1.87 2.10 -0.00 2.79 2.12 -1.26 -0.50 118.70 122.08 1hl5 s GLU 100 Ca -0.04 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1hl5 s GLU 100 Cb -0.09 -1.73 -0.00 0.00 0.26 0.00 0.00 34.13 32.57 1hl5 s GLU 100 CO 0.01 0.18 -0.02 0.34 -0.54 0.00 0.00 175.26 175.23 1hl5 s ASP 101 N 0.26 0.23 0.00 -1.70 2.15 -0.25 -4.95 116.67 112.41 1hl5 s ASP 101 Ca -0.10 -0.04 0.12 0.00 0.43 0.00 0.00 52.55 52.96 1hl5 s ASP 101 Cb -0.14 -0.02 0.21 0.00 -0.30 0.00 0.00 42.92 42.66 1hl5 s ASP 101 CO 0.04 0.02 1.07 -1.20 -0.17 0.00 0.00 175.17 174.93 1hl5 n SER 102 N 3.01 2.48 -0.11 -0.34 7.64 -1.26 -0.48 113.62 124.56 1hl5 n SER 102 Ca -0.12 -1.73 -0.23 0.00 1.01 0.00 0.00 58.87 57.79 1hl5 n SER 102 Cb 0.59 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.67 1.55 -1.15 0.44 0.31 -1.26 -4.91 118.33 113.98 1hl5 n VAL 103 Ca 0.10 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.67 1hl5 n VAL 103 Cb 0.37 -1.70 0.12 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.50 2.87 0.14 2.52 -4.36 -1.26 -4.85 121.20 113.76 1hl5 s ILE 104 Ca -0.34 0.28 -0.15 0.00 -0.26 0.00 0.00 60.65 60.19 1hl5 s ILE 104 Cb 0.10 -2.70 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1hl5 s ILE 104 CO 0.59 -0.37 0.40 -0.55 0.24 0.00 0.00 174.94 175.25 1hl5 s SER 105 N -3.29 -0.18 0.00 4.36 0.15 -1.02 -4.67 113.70 109.05 1hl5 s SER 105 Ca 0.63 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.03 1hl5 s SER 105 Cb -0.18 0.48 0.56 0.00 -1.71 0.00 0.00 66.02 65.17 1hl5 s SER 105 CO 0.57 -0.90 1.47 0.18 1.20 0.00 0.00 173.24 175.76 1hl5 n LEU 106 N -0.24 3.72 -3.92 3.45 4.77 -1.26 -1.61 117.00 121.90 1hl5 n LEU 106 Ca -0.13 -1.91 -0.09 0.00 -0.03 0.00 0.00 56.01 53.84 1hl5 n LEU 106 Cb 0.63 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1hl5 n LEU 106 CO 0.18 0.91 0.24 -0.94 -1.33 0.00 0.00 177.39 176.46 1hl5 s SER 107 N -1.07 -0.15 0.13 -1.43 1.04 -1.26 -4.83 113.70 106.13 1hl5 s SER 107 Ca 0.43 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1hl5 s SER 107 Cb 0.23 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1hl5 s SER 107 CO 0.30 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1hl5 n GLY 108 N -0.38 -1.47 0.29 7.32 0.00 -1.26 -3.69 105.19 106.00 1hl5 n GLY 108 Ca -0.04 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.33 1.61 3.45 -2.01 -2.37 116.42 116.77 1hl5 h ASP 109 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1hl5 h ASP 109 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1hl5 h ASP 109 CO 0.00 0.02 0.01 1.41 -1.57 0.00 0.00 179.24 179.11 1hl5 n HIS 110 N -3.90 1.19 -1.83 4.55 8.25 -1.26 -4.97 115.22 117.25 1hl5 n HIS 110 Ca -0.03 -0.91 -0.42 0.00 -0.26 0.00 0.00 57.72 56.10 1hl5 n HIS 110 Cb 0.10 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 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 3.99 0.05 -1.93 0.00 -5.35 -0.64 -4.93 119.36 110.55 1hl5 n ILE 112 Ca 0.15 -0.52 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1hl5 n ILE 112 Cb 0.37 1.36 -0.02 0.00 -1.74 0.00 0.00 39.64 39.60 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 -1.56 2.46 0.00 7.28 -1.09 -1.26 -1.59 121.20 125.45 1hl5 s ILE 113 Ca 0.23 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1hl5 s ILE 113 Cb 0.16 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1hl5 s ILE 113 CO 0.24 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1hl5 n GLY 114 N 2.30 0.87 2.33 6.18 0.00 0.12 -4.98 105.19 112.01 1hl5 n GLY 114 Ca 0.08 0.00 -0.12 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 -2.17 0.72 -4.77 1.61 1.74 -0.62 -2.43 116.66 110.74 1hl5 n ARG 115 Ca 0.00 -1.85 -0.33 0.00 -0.77 0.00 0.00 57.85 54.90 1hl5 n ARG 115 Cb 0.00 -0.17 -0.14 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.20 3.10 -0.03 0.55 2.01 -1.05 -0.42 115.64 118.59 1hl5 s THR 116 Ca 0.37 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 1hl5 s THR 116 Cb -0.03 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1hl5 s THR 116 CO 0.23 0.53 0.51 -0.22 -0.69 0.00 0.00 174.62 174.98 1hl5 s LEU 117 N 0.26 4.40 -0.05 4.42 2.96 -0.55 0.40 118.68 130.52 1hl5 s LEU 117 Ca -0.09 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 1hl5 s LEU 117 Cb -0.15 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.78 1hl5 s LEU 117 CO 0.05 0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.39 1hl5 s VAL 118 N -0.26 1.29 -0.14 1.68 1.01 0.43 -1.96 120.40 122.45 1hl5 s VAL 118 Ca 0.27 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1hl5 s VAL 118 Cb -0.17 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1hl5 s VAL 118 CO 0.14 0.38 0.02 0.54 0.00 0.00 0.00 175.10 176.18 1hl5 s VAL 119 N 0.32 4.45 0.38 2.92 0.11 -0.48 -1.47 120.40 126.63 1hl5 s VAL 119 Ca -0.09 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1hl5 s VAL 119 Cb -0.13 -2.94 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 1hl5 s VAL 119 CO 0.03 0.53 0.36 -1.00 -3.33 0.00 0.00 175.10 171.69 1hl5 s HIS 120 N -0.12 2.81 0.15 1.54 3.76 -0.17 -0.90 115.29 122.35 1hl5 s HIS 120 Ca 0.05 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.42 1hl5 s HIS 120 Cb -0.12 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.56 1hl5 s HIS 120 CO 0.02 -0.02 1.66 1.49 -0.85 0.00 0.00 174.74 177.04 1hl5 h GLU 121 N 1.08 0.75 0.00 1.40 4.81 -0.71 -3.38 114.58 118.53 1hl5 h GLU 121 Ca -0.43 -0.17 -0.56 0.00 -0.13 0.00 0.00 59.36 58.08 1hl5 h GLU 121 Cb 1.26 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.42 1hl5 h GLU 121 CO 0.57 0.72 -0.45 1.63 -0.73 0.00 0.00 179.01 180.75 1hl5 n LYS 122 N -4.51 0.65 -2.16 1.92 5.02 0.06 -4.92 118.16 114.23 1hl5 n LYS 122 Ca 0.01 -3.35 -0.39 0.00 -2.02 0.00 0.00 58.31 52.56 1hl5 n LYS 122 Cb 0.20 1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 36.79 1hl5 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hl5 s ALA 123 N -3.00 3.18 -0.13 7.82 0.00 -1.15 -1.11 121.76 127.36 1hl5 s ALA 123 Ca 0.15 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 1hl5 s ALA 123 Cb 0.01 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1hl5 s ALA 123 CO 0.11 -0.70 1.11 0.34 0.00 0.00 0.00 175.76 176.62 1hl5 s ASP 124 N -0.96 7.10 0.00 0.00 -1.08 -1.26 -3.83 116.67 116.65 1hl5 s ASP 124 Ca 0.58 1.60 0.14 0.00 -0.52 0.00 0.00 52.55 54.34 1hl5 s ASP 124 Cb -0.34 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.12 1hl5 s ASP 124 CO 0.43 -0.60 1.39 -0.90 0.52 0.00 0.00 175.17 176.02 1hl5 n ASP 125 N 5.68 1.11 -1.82 -0.34 5.68 0.64 -4.89 116.55 122.61 1hl5 n ASP 125 Ca 0.11 -1.79 -0.20 0.00 -0.50 0.00 0.00 54.79 52.41 1hl5 n ASP 125 Cb 0.47 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.02 -1.63 0.00 -2.12 4.77 -1.26 -1.56 117.00 115.22 1hl5 n LEU 126 Ca 0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1hl5 n LEU 126 Cb 0.21 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 1hl5 n LEU 126 CO 0.09 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 1hl5 n GLY 127 N -0.76 0.71 1.25 -0.72 0.00 -1.25 -3.57 105.19 100.86 1hl5 n GLY 127 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.57 2.54 0.00 1.61 5.02 -0.60 -4.63 118.16 119.53 1hl5 n LYS 128 Ca 0.00 -3.03 0.13 0.00 -2.02 0.00 0.00 58.31 53.39 1hl5 n LYS 128 Cb 0.00 -1.91 0.34 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.77 0.22 2.14 0.72 0.00 -1.26 -4.97 105.19 101.27 1hl5 n GLY 129 Ca 0.32 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 1.27 0.61 3.51 -0.02 0.00 -1.26 -4.95 105.19 104.34 1hl5 n GLY 130 Ca 0.16 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.89 0.41 0.25 1.61 2.20 -1.26 -5.05 114.94 110.21 1hl5 s ASN 131 Ca 0.00 -1.25 -0.03 0.00 -0.94 0.00 0.00 52.86 50.64 1hl5 s ASN 131 Cb 0.00 0.61 0.30 0.00 -2.00 0.00 0.00 41.25 40.16 1hl5 s ASN 131 CO 0.00 -1.21 1.77 -0.08 -2.94 0.00 0.00 177.10 174.65 1hl5 h GLU 132 N 2.21 0.91 -0.87 3.55 4.81 -2.00 -2.63 114.58 120.57 1hl5 h GLU 132 Ca -0.28 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1hl5 h GLU 132 Cb 1.25 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1hl5 h GLU 132 CO 0.39 0.84 0.57 1.49 -0.73 0.00 0.00 179.01 181.57 1hl5 h GLU 133 N 0.86 1.09 -0.92 1.92 4.57 -1.99 -1.68 114.58 118.44 1hl5 h GLU 133 Ca 0.18 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.38 1hl5 h GLU 133 Cb 0.36 -0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 28.64 1hl5 h GLU 133 CO 0.01 0.72 0.57 1.03 -1.18 0.00 0.00 179.01 180.15 1hl5 h SER 134 N 1.12 0.87 0.00 1.04 0.87 -1.81 0.19 113.55 115.83 1hl5 h SER 134 Ca 0.33 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1hl5 h SER 134 Cb -0.04 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1hl5 h SER 134 CO -0.09 0.52 0.00 0.35 -0.53 0.00 0.00 176.83 177.08 1hl5 n THR 135 N -4.62 0.00 -0.04 2.23 -2.24 -0.65 -2.12 114.28 106.84 1hl5 n THR 135 Ca 0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1hl5 n THR 135 Cb 0.24 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.98 0.19 0.00 -0.78 5.02 -0.06 -1.66 118.16 119.89 1hl5 n LYS 136 Ca 0.20 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1hl5 n LYS 136 Cb 0.09 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -3.44 0.00 -1.22 -0.18 -2.24 0.47 -4.70 114.28 102.97 1hl5 n THR 137 Ca -0.17 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1hl5 n THR 137 Cb 0.58 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.05 0.88 2.63 3.38 0.00 -0.90 -3.14 105.19 108.09 1hl5 n GLY 138 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 -5.55 0.00 1.61 3.02 -1.25 -0.26 115.26 112.48 1hl5 n ASN 139 Ca -0.08 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.52 1hl5 n ASN 139 Cb 0.38 -4.59 0.69 0.00 -0.61 0.00 0.00 39.78 35.65 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 -2.56 2.35 -0.41 5.41 0.00 -1.19 -4.71 120.51 119.39 1hl5 n ALA 140 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1hl5 n ALA 140 Cb 0.65 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.71 0.09 3.70 0.00 0.00 -1.26 -0.76 105.19 107.67 1hl5 n GLY 141 Ca 0.15 -0.93 -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 3.45 -0.50 1.61 1.04 -1.26 -4.57 113.70 109.47 1hl5 s SER 142 Ca 0.00 1.83 -0.18 0.00 0.48 0.00 0.00 55.95 58.09 1hl5 s SER 142 Cb 0.00 -2.43 0.07 0.00 0.10 0.00 0.00 66.02 63.75 1hl5 s SER 142 CO 0.00 -2.71 0.54 -0.13 0.98 0.00 0.00 173.24 171.92 1hl5 s ARG 143 N -4.79 3.06 0.11 4.02 0.52 -1.26 -0.62 118.95 119.99 1hl5 s ARG 143 Ca 0.64 -1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1hl5 s ARG 143 Cb -0.20 -4.13 -0.15 0.00 0.52 0.00 0.00 34.95 30.99 1hl5 s ARG 143 CO 0.58 -1.17 1.25 -0.07 0.02 0.00 0.00 175.30 175.91 1hl5 h LEU 144 N 9.33 0.43 -7.18 2.53 3.38 -1.32 -3.47 115.31 119.02 1hl5 h LEU 144 Ca -0.28 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.25 1hl5 h LEU 144 Cb 1.10 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 1hl5 h LEU 144 CO 0.94 1.23 0.06 0.00 0.09 0.00 0.00 178.44 180.76 1hl5 s ALA 145 N -3.00 -1.36 0.27 1.53 0.00 -1.14 -4.00 121.76 114.05 1hl5 s ALA 145 Ca -0.04 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1hl5 s ALA 145 Cb 0.08 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1hl5 s ALA 145 CO 0.87 -0.53 0.65 0.00 0.00 0.00 0.00 175.76 176.74 1hl5 s GLY 147 N -2.94 -0.38 0.15 0.00 0.00 -0.83 -1.73 107.32 101.60 1hl5 s GLY 147 Ca 0.13 0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 1hl5 s GLY 147 CO 0.06 0.10 0.80 0.14 0.00 0.00 0.00 173.10 174.21 1hl5 s VAL 148 N -3.57 4.42 -0.27 1.40 1.01 -1.26 -1.47 120.40 120.65 1hl5 s VAL 148 Ca 0.06 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 1hl5 s VAL 148 Cb -0.02 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1hl5 s VAL 148 CO -0.04 0.48 1.08 -0.63 0.00 0.00 0.00 175.10 175.99 1hl5 s ILE 149 N -0.87 4.56 0.26 2.22 1.01 0.43 -4.53 121.20 124.29 1hl5 s ILE 149 Ca 0.37 1.85 0.10 0.00 0.00 0.00 0.00 60.65 62.97 1hl5 s ILE 149 Cb -0.23 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1hl5 s ILE 149 CO 0.26 -0.32 -0.04 -0.83 0.00 0.00 0.00 174.94 174.02 1hl5 s GLY 150 N 1.49 1.69 0.18 6.18 0.00 0.01 0.15 107.32 117.03 1hl5 s GLY 150 Ca 0.46 -1.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.20 1hl5 s GLY 150 CO 0.11 -1.73 1.39 -0.42 0.00 0.00 0.00 173.10 172.45 1hl5 s ILE 151 N -2.29 3.04 0.27 0.90 1.01 -1.26 -0.82 121.20 122.04 1hl5 s ILE 151 Ca 0.31 0.81 0.11 0.00 0.00 0.00 0.00 60.65 61.88 1hl5 s ILE 151 Cb -0.06 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1hl5 s ILE 151 CO 0.19 0.10 -0.13 0.00 0.00 0.00 0.00 174.94 175.09 1hl5 s ALA 152 N 0.49 2.88 -2.00 9.38 0.00 -0.51 -4.77 121.76 127.23 1hl5 s ALA 152 Ca 0.61 -1.77 0.21 0.00 0.00 0.00 0.00 51.96 51.01 1hl5 s ALA 152 Cb -0.39 -0.46 1.27 0.00 0.00 0.00 0.00 23.12 23.54 1hl5 s ALA 152 CO 0.36 0.29 1.65 0.94 0.00 0.00 0.00 175.76 179.00