#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 1.52 0.02 0.00 -1.32 0.72 -4.99 115.64 111.59 1hl5 s THR 2 Ca 0.00 -1.09 0.05 0.00 -1.21 0.00 0.00 61.69 59.44 1hl5 s THR 2 Cb 0.00 -1.32 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 1hl5 s THR 2 CO 0.00 0.20 -0.16 -0.54 -2.21 0.00 0.00 174.62 171.92 1hl5 s LYS 3 N -1.04 1.14 0.15 7.08 1.02 -1.26 -0.90 119.74 125.93 1hl5 s LYS 3 Ca 0.06 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 1hl5 s LYS 3 Cb -0.08 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1hl5 s LYS 3 CO 0.01 0.30 0.09 0.00 -0.92 0.00 0.00 175.35 174.83 1hl5 s ALA 4 N -0.60 0.86 0.06 5.17 0.00 -0.36 -0.51 121.76 126.37 1hl5 s ALA 4 Ca 0.05 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1hl5 s ALA 4 Cb -0.07 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1hl5 s ALA 4 CO 0.00 -0.52 0.27 0.54 0.00 0.00 0.00 175.76 176.05 1hl5 s VAL 5 N -4.07 0.10 -0.08 0.00 0.11 0.23 -0.69 120.40 116.00 1hl5 s VAL 5 Ca 0.27 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1hl5 s VAL 5 Cb 0.07 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1hl5 s VAL 5 CO 0.04 -0.44 0.18 0.00 -3.33 0.00 0.00 175.10 171.54 1hl5 s VAL 7 N 1.51 5.27 -0.09 0.00 1.01 -1.26 -0.88 120.40 125.96 1hl5 s VAL 7 Ca -0.06 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1hl5 s VAL 7 Cb -0.11 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1hl5 s VAL 7 CO -0.07 0.11 0.46 -0.76 0.00 0.00 0.00 175.10 174.84 1hl5 s LEU 8 N 1.81 4.32 0.03 3.92 1.02 0.04 -3.89 118.68 125.93 1hl5 s LEU 8 Ca 0.08 0.84 -0.05 0.00 0.02 0.00 0.00 54.13 55.02 1hl5 s LEU 8 Cb -0.17 -2.66 -0.01 0.00 0.02 0.00 0.00 46.19 43.37 1hl5 s LEU 8 CO 0.11 0.08 0.09 -0.54 0.02 0.00 0.00 176.35 176.11 1hl5 s LYS 9 N 0.23 0.56 0.00 1.70 1.02 -0.20 -1.87 119.74 121.18 1hl5 s LYS 9 Ca 0.25 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1hl5 s LYS 9 Cb -0.15 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1hl5 s LYS 9 CO 0.11 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1hl5 n GLY 10 N 0.85 3.94 0.06 -3.33 0.00 -1.24 -1.21 105.19 104.26 1hl5 n GLY 10 Ca -0.19 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.43 0.37 0.00 1.61 8.00 -1.26 -4.90 116.55 119.94 1hl5 n ASP 11 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1hl5 n ASP 11 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.39 5.75 0.00 0.44 0.00 -1.26 -5.03 105.19 106.48 1hl5 n GLY 12 Ca 0.10 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 0.48 -2.49 1.61 -0.04 -1.26 -4.86 135.00 128.44 1hl5 n PRO 13 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 1hl5 n PRO 13 Cb 0.00 -1.50 -0.02 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 -2.51 4.35 0.04 0.52 1.01 -1.26 -4.37 120.40 118.18 1hl5 s VAL 14 Ca 0.30 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 1hl5 s VAL 14 Cb 0.20 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1hl5 s VAL 14 CO 0.45 -0.05 0.31 0.00 0.00 0.00 0.00 175.10 175.81 1hl5 s GLN 15 N 2.57 0.80 0.15 2.72 -2.07 -0.89 -3.70 119.66 119.24 1hl5 s GLN 15 Ca 0.54 -0.47 -0.24 0.00 -1.82 0.00 0.00 55.36 53.37 1hl5 s GLN 15 Cb -0.23 0.35 0.08 0.00 -1.09 0.00 0.00 33.01 32.12 1hl5 s GLN 15 CO 0.19 -0.25 1.05 0.20 -1.32 0.00 0.00 175.29 175.15 1hl5 s GLY 16 N -1.99 -0.04 -0.05 2.60 0.00 -0.78 -0.64 107.32 106.41 1hl5 s GLY 16 Ca -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.56 1hl5 s GLY 16 CO -0.03 1.59 -0.01 -0.42 0.00 0.00 0.00 173.10 174.24 1hl5 s ILE 17 N -2.53 0.34 -0.07 0.90 1.01 -0.67 -0.78 121.20 119.40 1hl5 s ILE 17 Ca 0.19 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1hl5 s ILE 17 Cb -0.01 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1hl5 s ILE 17 CO 0.03 0.22 -0.21 -0.63 0.00 0.00 0.00 174.94 174.36 1hl5 s ILE 18 N 1.56 1.79 0.13 2.92 -1.09 -0.06 -1.82 121.20 124.63 1hl5 s ILE 18 Ca -0.02 -0.90 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1hl5 s ILE 18 Cb -0.13 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 1hl5 s ILE 18 CO -0.03 0.50 0.13 0.20 -1.23 0.00 0.00 174.94 174.51 1hl5 s ASN 19 N 0.16 5.61 -0.02 3.58 -0.87 0.18 -0.68 114.94 122.88 1hl5 s ASN 19 Ca -0.10 -0.05 0.02 0.00 -1.57 0.00 0.00 52.86 51.16 1hl5 s ASN 19 Cb -0.15 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.58 1hl5 s ASN 19 CO 0.05 0.11 -0.08 -0.36 -2.57 0.00 0.00 177.10 174.25 1hl5 s PHE 20 N -1.60 0.89 -0.02 2.20 0.40 0.14 -1.10 117.98 118.89 1hl5 s PHE 20 Ca 0.31 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1hl5 s PHE 20 Cb -0.11 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1hl5 s PHE 20 CO 0.23 -0.10 0.04 -2.00 0.70 0.00 0.00 175.22 174.09 1hl5 s GLU 21 N 0.21 -0.00 -0.07 0.44 2.12 0.00 -1.23 118.70 120.18 1hl5 s GLU 21 Ca -0.03 0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1hl5 s GLU 21 Cb -0.08 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.20 1hl5 s GLU 21 CO 0.00 -0.10 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.45 1hl5 s GLN 22 N 0.64 0.89 -0.01 4.30 0.74 -0.08 -1.13 119.66 125.01 1hl5 s GLN 22 Ca -0.05 -0.05 0.02 0.00 0.05 0.00 0.00 55.36 55.32 1hl5 s GLN 22 Cb -0.08 -1.05 -0.26 0.00 1.10 0.00 0.00 33.01 32.73 1hl5 s GLN 22 CO -0.02 -0.21 0.82 0.87 -0.55 0.00 0.00 175.29 176.20 1hl5 h LYS 23 N 7.86 0.16 -4.87 1.67 1.57 -1.84 0.21 116.57 121.32 1hl5 h LYS 23 Ca -0.28 -0.27 -0.28 0.00 -1.87 0.00 0.00 60.65 57.94 1hl5 h LYS 23 Cb 1.14 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 1hl5 h LYS 23 CO 0.37 0.96 -0.70 -1.21 -0.57 0.00 0.00 179.45 178.30 1hl5 s GLU 24 N -2.62 0.99 0.25 3.15 0.41 -1.26 -3.71 118.70 115.91 1hl5 s GLU 24 Ca -0.08 -1.43 -0.31 0.00 -0.41 0.00 0.00 54.97 52.75 1hl5 s GLU 24 Cb 0.07 -0.41 -0.11 0.00 -1.78 0.00 0.00 34.13 31.90 1hl5 s GLU 24 CO 0.83 0.00 1.57 0.45 -0.49 0.00 0.00 175.26 177.62 1hl5 s SER 25 N -3.13 6.48 0.00 -0.19 0.15 -1.26 -1.24 113.70 114.51 1hl5 s SER 25 Ca 0.16 2.81 0.00 0.00 0.70 0.00 0.00 55.95 59.62 1hl5 s SER 25 Cb 0.04 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1hl5 s SER 25 CO -0.01 -0.85 0.00 0.59 1.20 0.00 0.00 173.24 174.17 1hl5 n ASN 26 N 2.77 -3.52 -4.33 5.45 5.03 -1.26 -4.98 115.26 114.41 1hl5 n ASN 26 Ca 0.10 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.26 1hl5 n ASN 26 Cb 0.38 -2.62 0.16 0.00 -1.02 0.00 0.00 39.78 36.68 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1hl5 s GLY 27 N -2.00 1.75 0.61 7.41 0.00 -0.38 -5.02 107.32 109.68 1hl5 s GLY 27 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 1hl5 s GLY 27 CO 0.00 -0.44 1.18 -4.14 0.00 0.00 0.00 173.10 169.70 1hl5 s PRO 28 N -5.76 2.93 -0.15 2.90 0.02 -1.26 -4.81 135.00 128.86 1hl5 s PRO 28 Ca 0.71 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 1hl5 s PRO 28 Cb -0.05 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 1hl5 s PRO 28 CO 0.51 -1.21 -0.11 0.08 -0.33 0.00 0.00 177.00 175.95 1hl5 s VAL 29 N -1.76 3.16 -0.03 3.83 1.01 -0.06 -4.33 120.40 122.23 1hl5 s VAL 29 Ca 0.75 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1hl5 s VAL 29 Cb -0.28 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1hl5 s VAL 29 CO 0.34 0.50 0.57 -0.54 0.00 0.00 0.00 175.10 175.97 1hl5 s LYS 30 N 0.63 4.30 -0.16 2.72 1.02 -0.29 -1.50 119.74 126.46 1hl5 s LYS 30 Ca -0.06 0.67 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1hl5 s LYS 30 Cb -0.15 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1hl5 s LYS 30 CO 0.03 0.33 -0.15 0.08 -0.92 0.00 0.00 175.35 174.72 1hl5 s VAL 31 N -0.03 1.68 -0.01 3.17 1.01 0.00 -0.82 120.40 125.41 1hl5 s VAL 31 Ca 0.30 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1hl5 s VAL 31 Cb -0.17 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1hl5 s VAL 31 CO 0.16 0.44 0.38 -1.66 0.00 0.00 0.00 175.10 174.42 1hl5 s TRP 32 N 1.43 -0.26 -3.99 5.22 -2.14 -0.25 -0.81 118.94 118.14 1hl5 s TRP 32 Ca 0.04 0.37 0.00 0.00 2.66 0.00 0.00 56.10 59.17 1hl5 s TRP 32 Cb -0.13 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1hl5 s TRP 32 CO -0.11 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.13 1hl5 n GLY 33 N 1.04 -0.55 3.13 3.67 0.00 -0.62 0.47 105.19 112.33 1hl5 n GLY 33 Ca -0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1hl5 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hl5 s SER 34 N -4.00 -0.26 -0.05 1.61 0.15 -0.76 -0.33 113.70 110.07 1hl5 s SER 34 Ca 0.00 0.50 0.02 0.00 0.70 0.00 0.00 55.95 57.18 1hl5 s SER 34 Cb 0.00 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1hl5 s SER 34 CO 0.00 -0.09 -0.12 -0.63 1.20 0.00 0.00 173.24 173.60 1hl5 s ILE 35 N 0.19 1.05 0.38 6.45 1.01 -0.14 -1.67 121.20 128.46 1hl5 s ILE 35 Ca -0.00 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1hl5 s ILE 35 Cb -0.02 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 1hl5 s ILE 35 CO -0.00 0.33 0.01 -1.59 0.00 0.00 0.00 174.94 173.69 1hl5 s LYS 36 N 0.50 1.99 0.00 2.79 -2.85 0.19 0.45 119.74 122.80 1hl5 s LYS 36 Ca -0.10 -1.97 0.00 0.00 -1.00 0.00 0.00 55.97 52.90 1hl5 s LYS 36 Cb -0.14 -1.76 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1hl5 s LYS 36 CO 0.03 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.90 1hl5 n GLY 37 N -0.97 0.65 3.90 0.59 0.00 -0.88 -2.11 105.19 106.39 1hl5 n GLY 37 Ca -0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 3.95 0.56 0.99 1.43 -0.81 -4.38 118.68 120.41 1hl5 s LEU 38 Ca 0.00 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 1hl5 s LEU 38 Cb 0.00 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 1hl5 s LEU 38 CO 0.00 -0.30 1.06 0.42 0.23 0.00 0.00 176.35 177.76 1hl5 s THR 39 N -2.26 3.67 0.25 5.49 -4.23 -1.26 -4.15 115.64 113.16 1hl5 s THR 39 Ca 0.46 0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 1hl5 s THR 39 Cb -0.10 -3.37 -0.11 0.00 1.34 0.00 0.00 72.50 70.26 1hl5 s THR 39 CO 0.33 -0.36 1.52 -0.70 -0.54 0.00 0.00 174.62 174.87 1hl5 s GLU 40 N -3.69 4.21 0.00 3.99 2.12 -1.26 -4.60 118.70 119.46 1hl5 s GLU 40 Ca 0.66 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1hl5 s GLU 40 Cb -0.17 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1hl5 s GLU 40 CO 0.30 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1hl5 n GLY 41 N 2.45 0.45 3.80 -1.50 0.00 -0.23 -4.94 105.19 105.22 1hl5 n GLY 41 Ca 0.08 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 4.34 -0.02 0.99 1.02 -1.26 -1.27 118.68 122.48 1hl5 s LEU 42 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 54.13 55.69 1hl5 s LEU 42 Cb 0.00 -3.71 0.03 0.00 0.02 0.00 0.00 46.19 42.53 1hl5 s LEU 42 CO 0.00 0.00 0.02 -1.00 0.02 0.00 0.00 176.35 175.40 1hl5 s HIS 43 N -1.55 0.09 0.60 0.29 3.76 -0.07 -3.11 115.29 115.30 1hl5 s HIS 43 Ca 0.45 0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 55.26 1hl5 s HIS 43 Cb -0.17 -0.27 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 1hl5 s HIS 43 CO 0.22 -0.10 1.30 0.20 -0.85 0.00 0.00 174.74 175.51 1hl5 s GLY 44 N 1.04 2.85 -0.22 -2.22 0.00 -0.40 -0.59 107.32 107.77 1hl5 s GLY 44 Ca -0.09 1.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 1hl5 s GLY 44 CO -0.03 1.67 0.32 -0.12 0.00 0.00 0.00 173.10 174.95 1hl5 s PHE 45 N -1.40 -0.62 0.05 1.90 5.36 -0.15 -0.98 117.98 122.13 1hl5 s PHE 45 Ca 0.77 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 57.37 1hl5 s PHE 45 Cb -0.37 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.18 1hl5 s PHE 45 CO 0.41 -0.66 0.03 -1.01 -1.46 0.00 0.00 175.22 172.53 1hl5 s HIS 46 N 2.47 0.35 -0.28 10.12 3.76 -0.79 -2.86 115.29 128.05 1hl5 s HIS 46 Ca 0.10 -0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 54.09 1hl5 s HIS 46 Cb -0.15 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 1hl5 s HIS 46 CO -0.14 -0.37 0.36 0.08 -0.85 0.00 0.00 174.74 173.82 1hl5 s VAL 47 N -3.17 5.18 0.31 -0.90 1.01 -0.57 -0.65 120.40 121.61 1hl5 s VAL 47 Ca -0.00 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1hl5 s VAL 47 Cb 0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1hl5 s VAL 47 CO -0.07 0.13 0.50 -1.00 0.00 0.00 0.00 175.10 174.65 1hl5 s HIS 48 N 2.05 3.49 0.10 5.22 3.76 0.14 -1.12 115.29 128.92 1hl5 s HIS 48 Ca 0.14 0.29 -0.22 0.00 -0.15 0.00 0.00 55.06 55.11 1hl5 s HIS 48 Cb -0.16 -1.83 -0.12 0.00 1.11 0.00 0.00 32.58 31.57 1hl5 s HIS 48 CO 0.10 0.21 1.73 1.49 -0.85 0.00 0.00 174.74 177.43 1hl5 h GLU 49 N 0.99 0.01 -6.12 1.40 4.81 -0.57 -2.65 114.58 112.45 1hl5 h GLU 49 Ca -0.50 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.07 1hl5 h GLU 49 Cb 1.22 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 1hl5 h GLU 49 CO 0.62 0.01 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.23 1hl5 s PHE 50 N -6.19 3.16 -0.47 0.92 0.08 0.14 -4.62 117.98 111.01 1hl5 s PHE 50 Ca -0.13 0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 1hl5 s PHE 50 Cb 0.07 -1.68 0.14 0.00 -0.57 0.00 0.00 43.02 40.98 1hl5 s PHE 50 CO 0.67 0.51 2.52 0.41 -0.10 0.00 0.00 175.22 179.22 1hl5 n GLY 51 N 1.09 4.47 3.20 4.36 0.00 -1.08 -3.68 105.19 113.55 1hl5 n GLY 51 Ca -0.13 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 0.09 4.46 -0.16 1.61 -1.08 -1.26 -4.95 116.67 115.37 1hl5 s ASP 52 Ca 0.53 -0.95 0.17 0.00 -0.52 0.00 0.00 52.55 51.78 1hl5 s ASP 52 Cb 0.36 -1.68 0.41 0.00 -1.46 0.00 0.00 42.92 40.56 1hl5 s ASP 52 CO -0.18 -0.16 1.29 -3.20 0.52 0.00 0.00 175.17 173.44 1hl5 n ASN 53 N 4.66 3.01 0.11 -0.34 5.15 -1.26 -2.53 115.26 124.06 1hl5 n ASN 53 Ca -0.16 -3.12 0.06 0.00 -0.60 0.00 0.00 54.58 50.76 1hl5 n ASN 53 Cb 0.46 -0.49 0.51 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.87 1.06 -0.52 -0.44 1.35 -1.93 -0.94 112.91 112.37 1hl5 h THR 54 Ca 0.01 -0.11 -0.36 0.00 -0.55 0.00 0.00 66.41 65.39 1hl5 h THR 54 Cb 1.23 0.71 -0.26 0.00 -1.73 0.00 0.00 68.15 68.09 1hl5 h THR 54 CO 0.12 0.06 -0.52 0.00 -0.25 0.00 0.00 175.52 174.93 1hl5 n ALA 55 N -2.50 4.67 -0.07 6.62 0.00 -1.26 -5.08 120.51 122.89 1hl5 n ALA 55 Ca 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1hl5 n ALA 55 Cb 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1hl5 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 56 N -0.89 -1.48 0.29 0.00 0.00 -0.36 -3.91 105.19 98.84 1hl5 n GLY 56 Ca 0.37 -1.30 0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 1.07 0.00 0.00 2.02 -1.91 -2.39 112.91 111.70 1hl5 h THR 58 Ca -0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1hl5 h THR 58 Cb 0.12 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1hl5 h THR 58 CO 0.01 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 1hl5 n SER 59 N -4.49 0.00 0.00 4.18 3.41 -1.05 -3.11 113.62 112.56 1hl5 n SER 59 Ca 0.14 -0.86 0.08 0.00 -0.26 0.00 0.00 58.87 57.97 1hl5 n SER 59 Cb 0.19 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.50 1hl5 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl5 n ALA 60 N -0.97 1.78 -0.32 7.33 0.00 -0.90 -4.44 120.51 123.00 1hl5 n ALA 60 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1hl5 n ALA 60 Cb 0.08 -1.26 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 0.16 -0.78 1.37 0.00 0.00 -1.18 -0.68 105.19 104.07 1hl5 n GLY 61 Ca 0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.04 -0.09 -1.95 1.61 -0.04 -1.26 -4.62 135.00 128.61 1hl5 n PRO 62 Ca 0.00 -0.83 -0.40 0.00 -0.04 0.00 0.00 63.50 62.23 1hl5 n PRO 62 Cb 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 1hl5 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hl5 s HIS 63 N -1.54 2.68 0.07 0.54 3.76 -1.26 -0.37 115.29 119.18 1hl5 s HIS 63 Ca 0.25 1.35 -0.31 0.00 -0.15 0.00 0.00 55.06 56.20 1hl5 s HIS 63 Cb -0.01 -3.78 -0.10 0.00 1.11 0.00 0.00 32.58 29.80 1hl5 s HIS 63 CO 0.17 -2.43 1.88 0.34 -0.85 0.00 0.00 174.74 173.86 1hl5 n PHE 64 N 0.04 2.54 -2.87 1.40 7.35 -0.28 -4.48 117.46 121.16 1hl5 n PHE 64 Ca 0.04 -0.19 -0.12 0.00 -0.76 0.00 0.00 57.45 56.41 1hl5 n PHE 64 Cb 0.43 -2.74 0.03 0.00 0.35 0.00 0.00 39.48 37.55 1hl5 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1hl5 n ASN 65 N 6.32 -1.78 0.22 -2.13 5.15 -1.26 -1.73 115.26 120.05 1hl5 n ASN 65 Ca 0.19 -3.30 0.15 0.00 -0.60 0.00 0.00 54.58 51.02 1hl5 n ASN 65 Cb 0.37 1.17 0.63 0.00 -0.53 0.00 0.00 39.78 41.42 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 3.56 0.00 -0.06 1.20 0.13 -1.95 -2.38 132.00 132.49 1hl5 h PRO 66 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1hl5 h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1hl5 h PRO 66 CO 0.31 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.36 1hl5 n LEU 67 N -2.72 2.34 -3.60 1.56 4.77 -1.26 -4.97 117.00 113.11 1hl5 n LEU 67 Ca 0.01 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 54.97 1hl5 n LEU 67 Cb 0.26 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1hl5 n LEU 67 CO 0.23 0.41 0.02 -1.20 -1.33 0.00 0.00 177.39 175.52 1hl5 n SER 68 N 0.82 -1.79 -4.96 -1.43 7.64 -0.90 -5.00 113.62 108.00 1hl5 n SER 68 Ca 0.17 -0.73 -0.21 0.00 1.01 0.00 0.00 58.87 59.10 1hl5 n SER 68 Cb 0.48 -4.49 0.01 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 -5.78 2.46 0.61 1.43 0.52 -1.26 -5.12 118.95 111.81 1hl5 s ARG 69 Ca 0.04 -1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 53.58 1hl5 s ARG 69 Cb -0.02 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.98 1hl5 s ARG 69 CO 0.78 -0.51 0.93 0.15 0.02 0.00 0.00 175.30 176.67 1hl5 s LYS 70 N -4.38 2.80 0.36 3.54 -0.14 -1.26 -4.77 119.74 115.89 1hl5 s LYS 70 Ca 0.51 -0.02 -0.27 0.00 -1.36 0.00 0.00 55.97 54.83 1hl5 s LYS 70 Cb -0.05 -2.24 -0.09 0.00 -1.68 0.00 0.00 37.83 33.76 1hl5 s LYS 70 CO 0.31 -0.80 1.22 -1.58 -0.76 0.00 0.00 175.35 173.73 1hl5 s HIS 71 N -3.05 3.12 0.00 3.18 5.65 -0.19 -2.86 115.29 121.13 1hl5 s HIS 71 Ca 0.55 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.38 1hl5 s HIS 71 Cb -0.11 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.79 1hl5 s HIS 71 CO 0.45 -1.45 0.00 0.41 -0.65 0.00 0.00 174.74 173.50 1hl5 n GLY 72 N 0.79 2.79 3.93 1.59 0.00 -1.24 -4.49 105.19 108.56 1hl5 n GLY 72 Ca 0.02 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.83 1.63 0.56 -0.02 0.00 -1.23 -4.73 107.32 102.69 1hl5 s GLY 73 Ca 0.00 -0.89 0.26 0.00 0.00 0.00 0.00 44.72 44.09 1hl5 s GLY 73 CO 0.00 -0.62 2.20 -0.56 0.00 0.00 0.00 173.10 174.11 1hl5 h PRO 74 N -0.03 0.00 -0.00 2.90 0.13 -1.88 -1.41 132.00 131.71 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1hl5 h PRO 74 CO 0.59 0.02 -0.22 1.63 -0.23 0.00 0.00 178.00 179.79 1hl5 n LYS 75 N -4.00 0.53 -2.92 0.86 5.02 -1.26 -4.90 118.16 111.49 1hl5 n LYS 75 Ca -0.03 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.64 1hl5 n LYS 75 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.64 7.33 0.21 4.39 1.01 -0.53 -4.98 116.67 121.47 1hl5 s ASP 76 Ca 0.23 1.69 -0.07 0.00 0.71 0.00 0.00 52.55 55.11 1hl5 s ASP 76 Cb 0.19 -2.52 0.17 0.00 1.01 0.00 0.00 42.92 41.77 1hl5 s ASP 76 CO 0.54 0.08 1.74 -0.08 0.21 0.00 0.00 175.17 177.66 1hl5 h GLU 77 N 3.74 1.11 -5.53 8.23 4.81 -1.90 -3.36 114.58 121.68 1hl5 h GLU 77 Ca -0.47 -0.25 -0.62 0.00 -0.13 0.00 0.00 59.36 57.89 1hl5 h GLU 77 Cb 1.20 -0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.28 1hl5 h GLU 77 CO 0.66 0.96 0.67 -2.00 -0.73 0.00 0.00 179.01 178.57 1hl5 s GLU 78 N -5.34 3.19 0.15 1.92 2.56 -1.26 -4.92 118.70 114.99 1hl5 s GLU 78 Ca -0.12 -0.88 -0.23 0.00 0.00 0.00 0.00 54.97 53.74 1hl5 s GLU 78 Cb 0.15 -4.34 0.07 0.00 2.00 0.00 0.00 34.13 32.01 1hl5 s GLU 78 CO 0.84 -1.87 0.60 -0.98 -0.56 0.00 0.00 175.26 173.29 1hl5 s ARG 79 N 4.14 1.26 0.44 4.30 1.70 -1.14 -3.62 118.95 126.04 1hl5 s ARG 79 Ca 0.26 -0.45 -0.22 0.00 -0.47 0.00 0.00 55.73 54.86 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 0.08 -0.54 0.99 -1.01 -1.08 0.00 0.00 175.30 173.74 1hl5 s HIS 80 N -3.63 3.23 0.30 5.89 3.76 -1.19 -4.72 115.29 118.93 1hl5 s HIS 80 Ca 0.00 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 1hl5 s HIS 80 Cb -0.01 -2.96 0.71 0.00 1.11 0.00 0.00 32.58 31.43 1hl5 s HIS 80 CO -0.12 -0.39 1.79 0.28 -0.85 0.00 0.00 174.74 175.44 1hl5 h VAL 81 N 1.88 0.74 -0.06 -0.90 2.07 -1.85 -0.99 116.25 117.14 1hl5 h VAL 81 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl5 h VAL 81 Cb 1.20 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1hl5 h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1hl5 n GLY 82 N -1.33 -0.03 3.47 2.17 0.00 -0.70 -4.37 105.19 104.39 1hl5 n GLY 82 Ca 0.23 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.73 6.48 -0.00 1.61 1.01 -0.38 -1.51 116.67 123.15 1hl5 s ASP 83 Ca 0.04 -1.65 0.20 0.00 0.71 0.00 0.00 52.55 51.86 1hl5 s ASP 83 Cb 0.03 -2.43 0.59 0.00 1.01 0.00 0.00 42.92 42.12 1hl5 s ASP 83 CO 0.02 -1.24 1.49 0.18 0.21 0.00 0.00 175.17 175.84 1hl5 n LEU 84 N 7.24 3.61 0.00 1.23 4.77 -1.14 -3.69 117.00 129.02 1hl5 n LEU 84 Ca 0.17 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1hl5 n LEU 84 Cb 0.48 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1hl5 n LEU 84 CO 0.57 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 1hl5 n GLY 85 N 1.54 0.33 3.39 -0.72 0.00 -1.20 -4.82 105.19 103.71 1hl5 n GLY 85 Ca 0.22 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 3.21 0.34 1.61 0.01 -1.26 -0.98 114.94 113.87 1hl5 s ASN 86 Ca 0.00 -0.80 0.08 0.00 -0.71 0.00 0.00 52.86 51.43 1hl5 s ASN 86 Cb 0.00 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 1hl5 s ASN 86 CO 0.00 0.12 0.12 0.68 -1.51 0.00 0.00 177.10 176.51 1hl5 s VAL 87 N -1.41 2.97 -0.15 1.60 -7.23 0.24 -4.90 120.40 111.53 1hl5 s VAL 87 Ca 0.16 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1hl5 s VAL 87 Cb -0.09 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1hl5 s VAL 87 CO 0.07 -0.19 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.58 1hl5 s THR 88 N -2.44 2.19 -0.13 5.32 2.01 -1.26 -0.89 115.64 120.44 1hl5 s THR 88 Ca 0.37 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1hl5 s THR 88 Cb -0.02 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1hl5 s THR 88 CO 0.22 0.54 0.14 0.00 -0.69 0.00 0.00 174.62 174.84 1hl5 s ALA 89 N 0.86 3.84 0.89 7.40 0.00 -0.40 -3.99 121.76 130.36 1hl5 s ALA 89 Ca -0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1hl5 s ALA 89 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1hl5 s ALA 89 CO -0.02 0.53 0.14 -0.40 0.00 0.00 0.00 175.76 176.01 1hl5 n ASP 90 N 2.28 0.04 0.26 0.00 5.68 -0.25 -1.06 116.55 123.48 1hl5 n ASP 90 Ca -0.19 -1.07 0.10 0.00 -0.50 0.00 0.00 54.79 53.14 1hl5 n ASP 90 Cb 0.54 -0.11 0.68 0.00 -1.14 0.00 0.00 41.12 41.10 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 -0.14 0.11 2.10 -1.97 -1.37 116.57 115.29 1hl5 h LYS 91 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1hl5 h LYS 91 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1hl5 h LYS 91 CO 0.03 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 1hl5 n ASP 92 N -3.94 1.25 -0.04 7.07 8.00 -1.26 -4.85 116.55 122.78 1hl5 n ASP 92 Ca -0.02 -1.68 -0.01 0.00 0.71 0.00 0.00 54.79 53.80 1hl5 n ASP 92 Cb 0.21 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.03 0.45 3.50 0.44 0.00 -0.52 -4.73 105.19 105.36 1hl5 n GLY 93 Ca 0.15 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.01 4.01 -0.29 1.61 1.01 -1.26 -1.92 120.40 121.55 1hl5 s VAL 94 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1hl5 s VAL 94 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1hl5 s VAL 94 CO 0.00 0.47 0.09 0.00 0.00 0.00 0.00 175.10 175.66 1hl5 s ALA 95 N 0.55 3.12 -0.33 5.51 0.00 0.17 -1.09 121.76 129.69 1hl5 s ALA 95 Ca -0.02 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1hl5 s ALA 95 Cb -0.14 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 1hl5 s ALA 95 CO 0.02 -0.82 0.61 -0.51 0.00 0.00 0.00 175.76 175.06 1hl5 s ASP 96 N 1.55 6.43 -0.18 0.00 1.01 -1.26 -0.97 116.67 123.26 1hl5 s ASP 96 Ca 0.04 0.24 -0.10 0.00 0.71 0.00 0.00 52.55 53.45 1hl5 s ASP 96 Cb -0.17 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1hl5 s ASP 96 CO 0.03 -0.51 0.14 -0.69 0.21 0.00 0.00 175.17 174.35 1hl5 s VAL 97 N 2.60 5.42 -0.27 -1.27 1.01 0.55 -4.76 120.40 123.68 1hl5 s VAL 97 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1hl5 s VAL 97 Cb -0.15 -3.46 0.16 0.00 0.00 0.00 0.00 36.38 32.92 1hl5 s VAL 97 CO 0.13 0.48 0.42 -0.55 0.00 0.00 0.00 175.10 175.58 1hl5 s SER 98 N 0.05 0.07 0.07 3.32 0.15 -1.25 -1.59 113.70 114.51 1hl5 s SER 98 Ca 0.10 -0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1hl5 s SER 98 Cb -0.11 1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 65.42 1hl5 s SER 98 CO -0.00 -0.32 -0.09 -0.63 1.20 0.00 0.00 173.24 173.39 1hl5 s ILE 99 N 2.59 0.76 -0.05 6.45 1.01 0.01 -5.01 121.20 126.95 1hl5 s ILE 99 Ca 0.12 -1.38 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1hl5 s ILE 99 Cb -0.14 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1hl5 s ILE 99 CO -0.24 -0.47 -0.13 -0.70 0.00 0.00 0.00 174.94 173.40 1hl5 s GLU 100 N -2.24 1.57 -0.00 2.79 2.12 -1.26 -0.82 118.70 120.86 1hl5 s GLU 100 Ca -0.02 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 54.88 1hl5 s GLU 100 Cb -0.06 -1.34 0.00 0.00 0.26 0.00 0.00 34.13 32.99 1hl5 s GLU 100 CO -0.00 0.09 0.01 0.34 -0.54 0.00 0.00 175.26 175.16 1hl5 s ASP 101 N 0.45 -0.01 -0.08 -1.70 2.15 -0.56 -4.95 116.67 111.97 1hl5 s ASP 101 Ca -0.10 0.02 0.13 0.00 0.43 0.00 0.00 52.55 53.02 1hl5 s ASP 101 Cb -0.14 0.03 0.36 0.00 -0.30 0.00 0.00 42.92 42.87 1hl5 s ASP 101 CO 0.03 -0.01 1.29 -1.20 -0.17 0.00 0.00 175.17 175.11 1hl5 n SER 102 N 3.05 3.18 -0.11 -0.34 7.64 -1.26 -0.88 113.62 124.90 1hl5 n SER 102 Ca -0.12 -2.47 -0.23 0.00 1.01 0.00 0.00 58.87 57.06 1hl5 n SER 102 Cb 0.60 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.11 1.55 -1.20 0.44 0.31 -1.26 -4.91 118.33 113.15 1hl5 n VAL 103 Ca 0.15 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 1hl5 n VAL 103 Cb 0.61 -1.69 0.13 0.00 -0.91 0.00 0.00 33.84 31.97 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 2.83 0.11 2.52 -4.36 -1.26 -4.82 121.20 113.72 1hl5 s ILE 104 Ca -0.34 0.27 -0.13 0.00 -0.26 0.00 0.00 60.65 60.20 1hl5 s ILE 104 Cb 0.10 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1hl5 s ILE 104 CO 0.59 -0.35 0.31 -0.55 0.24 0.00 0.00 174.94 175.18 1hl5 s SER 105 N -3.39 -0.08 0.00 4.36 0.15 -0.91 -4.71 113.70 109.12 1hl5 s SER 105 Ca 0.63 -0.46 0.18 0.00 0.70 0.00 0.00 55.95 57.00 1hl5 s SER 105 Cb -0.18 0.41 0.42 0.00 -1.71 0.00 0.00 66.02 64.97 1hl5 s SER 105 CO 0.57 -0.80 1.35 0.18 1.20 0.00 0.00 173.24 175.74 1hl5 n LEU 106 N -0.14 3.31 -3.60 3.45 4.77 -1.26 -1.24 117.00 122.28 1hl5 n LEU 106 Ca -0.16 -1.76 -0.11 0.00 -0.03 0.00 0.00 56.01 53.96 1hl5 n LEU 106 Cb 0.63 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1hl5 n LEU 106 CO 0.19 0.78 0.22 -0.94 -1.33 0.00 0.00 177.39 176.32 1hl5 s SER 107 N -1.13 -0.31 0.00 -1.43 1.04 -1.26 -4.82 113.70 105.79 1hl5 s SER 107 Ca 0.35 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1hl5 s SER 107 Cb 0.19 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1hl5 s SER 107 CO 0.26 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1hl5 n GLY 108 N -0.27 -1.34 0.33 7.32 0.00 -1.26 -4.03 105.19 105.94 1hl5 n GLY 108 Ca -0.16 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 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 1.24 0.83 -0.79 1.61 3.45 -2.00 -2.57 116.42 118.20 1hl5 h ASP 109 Ca 0.00 -0.08 -0.29 0.00 0.43 0.00 0.00 57.03 57.09 1hl5 h ASP 109 Cb 0.00 -0.21 -0.17 0.00 -0.56 0.00 0.00 39.33 38.38 1hl5 h ASP 109 CO 0.00 0.69 0.35 1.41 -1.57 0.00 0.00 179.24 180.13 1hl5 n HIS 110 N -4.36 2.55 -1.72 4.55 8.25 -1.26 -4.99 115.22 118.24 1hl5 n HIS 110 Ca 0.06 -1.38 -0.43 0.00 -0.26 0.00 0.00 57.72 55.71 1hl5 n HIS 110 Cb 0.12 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.46 1hl5 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl5 n ILE 112 N 2.96 0.03 -1.74 0.00 -5.35 -0.38 -4.91 119.36 109.99 1hl5 n ILE 112 Ca 0.13 -0.52 -0.42 0.00 -0.27 0.00 0.00 62.75 61.67 1hl5 n ILE 112 Cb 0.35 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.49 1hl5 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1hl5 n ILE 113 N 0.79 0.52 -0.62 7.28 2.08 -1.26 -1.75 119.36 126.41 1hl5 n ILE 113 Ca 0.08 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1hl5 n ILE 113 Cb 0.36 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.25 1hl5 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hl5 n GLY 114 N 3.06 1.02 1.02 7.39 0.00 0.21 -4.99 105.19 112.89 1hl5 n GLY 114 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.87 -4.86 1.61 1.74 -0.71 -2.63 116.66 110.68 1hl5 n ARG 115 Ca 0.00 -0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 55.94 1hl5 n ARG 115 Cb 0.00 -0.07 -0.16 0.00 -1.02 0.00 0.00 32.46 31.21 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 0.02 2.19 0.02 0.55 2.01 -1.00 -0.57 115.64 118.86 1hl5 s THR 116 Ca 0.16 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1hl5 s THR 116 Cb -0.01 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1hl5 s THR 116 CO 0.10 0.55 0.58 -0.22 -0.69 0.00 0.00 174.62 174.94 1hl5 s LEU 117 N 0.62 4.45 -0.02 4.42 2.96 -0.39 0.26 118.68 130.98 1hl5 s LEU 117 Ca -0.11 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1hl5 s LEU 117 Cb -0.16 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1hl5 s LEU 117 CO 0.03 0.16 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.38 1hl5 s VAL 118 N -0.47 1.18 -0.08 1.68 1.01 0.18 -1.97 120.40 121.92 1hl5 s VAL 118 Ca 0.30 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1hl5 s VAL 118 Cb -0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1hl5 s VAL 118 CO 0.18 0.34 -0.15 0.54 0.00 0.00 0.00 175.10 176.00 1hl5 s VAL 119 N -0.22 2.94 0.29 2.92 0.11 -0.54 -1.89 120.40 124.01 1hl5 s VAL 119 Ca 0.03 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 1hl5 s VAL 119 Cb -0.07 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1hl5 s VAL 119 CO 0.00 0.56 0.25 -1.00 -3.33 0.00 0.00 175.10 171.58 1hl5 s HIS 120 N -0.21 3.02 0.16 1.54 3.76 -0.15 -1.32 115.29 122.08 1hl5 s HIS 120 Ca 0.00 -0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 54.57 1hl5 s HIS 120 Cb -0.13 -1.60 0.05 0.00 1.11 0.00 0.00 32.58 32.01 1hl5 s HIS 120 CO 0.03 0.35 1.80 1.49 -0.85 0.00 0.00 174.74 177.57 1hl5 h GLU 121 N 1.36 0.68 -5.49 1.40 4.81 -1.14 -3.38 114.58 112.83 1hl5 h GLU 121 Ca -0.47 -0.06 -0.65 0.00 -0.13 0.00 0.00 59.36 58.06 1hl5 h GLU 121 Cb 1.25 -0.14 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 1hl5 h GLU 121 CO 0.59 0.49 -0.55 0.15 -0.73 0.00 0.00 179.01 178.97 1hl5 s LYS 122 N -6.01 2.09 0.45 1.92 1.02 -0.53 -4.94 119.74 113.73 1hl5 s LYS 122 Ca -0.13 -2.22 -0.23 0.00 0.02 0.00 0.00 55.97 53.42 1hl5 s LYS 122 Cb 0.12 -1.63 -0.08 0.00 -0.52 0.00 0.00 37.83 35.72 1hl5 s LYS 122 CO 0.75 -0.21 1.09 0.00 -0.92 0.00 0.00 175.35 176.06 1hl5 s ALA 123 N -2.78 2.98 -0.12 5.17 0.00 -1.18 -1.28 121.76 124.55 1hl5 s ALA 123 Ca 0.23 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1hl5 s ALA 123 Cb 0.06 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1hl5 s ALA 123 CO 0.12 -0.42 1.07 0.34 0.00 0.00 0.00 175.76 176.86 1hl5 s ASP 124 N -1.59 7.17 0.00 0.00 -1.08 -1.26 -4.03 116.67 115.88 1hl5 s ASP 124 Ca 0.63 1.57 0.19 0.00 -0.52 0.00 0.00 52.55 54.42 1hl5 s ASP 124 Cb -0.23 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 39.83 1hl5 s ASP 124 CO 0.28 -0.53 1.73 -0.90 0.52 0.00 0.00 175.17 176.28 1hl5 n ASP 125 N 5.35 0.00 -1.69 -0.34 5.68 0.46 -4.89 116.55 121.11 1hl5 n ASP 125 Ca 0.10 -1.36 -0.18 0.00 -0.50 0.00 0.00 54.79 52.86 1hl5 n ASP 125 Cb 0.48 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.81 -1.54 0.00 -2.12 4.77 -1.26 -1.65 117.00 114.38 1hl5 n LEU 126 Ca 0.15 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1hl5 n LEU 126 Cb 0.07 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 1hl5 n LEU 126 CO 0.11 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1hl5 n GLY 127 N -0.90 0.72 1.50 -0.72 0.00 -1.25 -3.50 105.19 101.04 1hl5 n GLY 127 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.47 3.85 0.00 1.61 5.02 -0.66 -4.57 118.16 120.94 1hl5 n LYS 128 Ca 0.00 -2.90 0.13 0.00 -2.02 0.00 0.00 58.31 53.52 1hl5 n LYS 128 Cb 0.00 -1.94 0.39 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.72 -1.32 2.59 0.72 0.00 -1.26 -4.96 105.19 101.69 1hl5 n GLY 129 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.49 0.68 3.67 -0.02 0.00 -1.26 -4.97 105.19 104.79 1hl5 n GLY 130 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.46 4.04 0.22 1.61 4.22 -1.26 -5.04 114.94 116.27 1hl5 s ASN 131 Ca 0.00 -1.34 -0.09 0.00 -2.14 0.00 0.00 52.86 49.29 1hl5 s ASN 131 Cb 0.00 -0.28 0.17 0.00 1.28 0.00 0.00 41.25 42.43 1hl5 s ASN 131 CO 0.00 -0.54 1.85 -0.33 -2.04 0.00 0.00 177.10 176.04 1hl5 h GLU 132 N 1.62 1.12 -0.09 3.55 5.08 -2.02 -2.32 114.58 121.52 1hl5 h GLU 132 Ca -0.44 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1hl5 h GLU 132 Cb 1.25 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1hl5 h GLU 132 CO 0.77 0.80 0.07 1.49 -1.00 0.00 0.00 179.01 181.14 1hl5 h GLU 133 N 1.12 0.00 -0.83 2.33 4.57 -1.99 -2.69 114.58 117.09 1hl5 h GLU 133 Ca 0.29 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1hl5 h GLU 133 Cb -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1hl5 h GLU 133 CO -0.05 0.00 0.54 1.03 -1.18 0.00 0.00 179.01 179.35 1hl5 h SER 134 N 0.00 0.96 -0.21 1.04 0.87 -1.76 -0.34 113.55 114.10 1hl5 h SER 134 Ca 0.04 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1hl5 h SER 134 Cb 0.18 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1hl5 h SER 134 CO -0.00 0.70 0.00 0.35 -0.53 0.00 0.00 176.83 177.35 1hl5 n THR 135 N -4.40 0.28 -0.05 2.23 -2.24 -1.02 -2.13 114.28 106.94 1hl5 n THR 135 Ca 0.09 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1hl5 n THR 135 Cb 0.03 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.18 0.26 0.00 -0.78 5.02 -0.37 -1.02 118.16 121.44 1hl5 n LYS 136 Ca 0.11 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1hl5 n LYS 136 Cb 0.23 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 -3.62 0.00 -1.14 -0.18 -2.24 -0.28 -4.66 114.28 102.16 1hl5 n THR 137 Ca -0.22 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 1hl5 n THR 137 Cb 0.60 1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 70.26 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 0.02 0.66 2.41 3.38 0.00 -0.91 -3.03 105.19 107.72 1hl5 n GLY 138 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.58 0.00 1.61 3.02 -1.25 -0.41 115.26 112.36 1hl5 n ASN 139 Ca -0.05 0.03 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 1hl5 n ASN 139 Cb 0.32 -4.66 0.50 0.00 -0.61 0.00 0.00 39.78 35.33 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 -1.97 2.06 -0.40 5.41 0.00 -1.17 -4.75 120.51 119.70 1hl5 n ALA 140 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1hl5 n ALA 140 Cb 0.67 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.72 0.24 3.66 0.00 0.00 -1.26 -1.45 105.19 107.09 1hl5 n GLY 141 Ca 0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 2.84 -0.46 1.61 1.04 -1.26 -4.65 113.70 108.82 1hl5 s SER 142 Ca 0.00 1.75 -0.17 0.00 0.48 0.00 0.00 55.95 58.02 1hl5 s SER 142 Cb 0.00 -2.37 0.05 0.00 0.10 0.00 0.00 66.02 63.80 1hl5 s SER 142 CO 0.00 -3.08 0.44 -0.13 0.98 0.00 0.00 173.24 171.45 1hl5 s ARG 143 N -4.73 3.03 0.08 4.02 0.52 -1.26 -1.21 118.95 119.40 1hl5 s ARG 143 Ca 0.65 -1.08 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 1hl5 s ARG 143 Cb -0.21 -4.07 -0.25 0.00 0.52 0.00 0.00 34.95 30.95 1hl5 s ARG 143 CO 0.59 -0.99 1.16 -0.07 0.02 0.00 0.00 175.30 176.01 1hl5 h LEU 144 N 9.00 0.62 -7.06 2.53 3.38 -1.51 -3.47 115.31 118.80 1hl5 h LEU 144 Ca -0.28 -0.60 -0.05 0.00 0.09 0.00 0.00 57.88 57.05 1hl5 h LEU 144 Cb 1.11 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 1hl5 h LEU 144 CO 0.86 1.43 0.15 0.00 0.09 0.00 0.00 178.44 180.97 1hl5 s ALA 145 N -2.88 -1.58 0.26 1.53 0.00 -1.17 -3.98 121.76 113.94 1hl5 s ALA 145 Ca -0.06 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 1hl5 s ALA 145 Cb 0.07 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1hl5 s ALA 145 CO 0.90 -0.54 0.64 0.00 0.00 0.00 0.00 175.76 176.76 1hl5 s GLY 147 N -2.93 -0.42 0.12 0.00 0.00 -0.83 -1.04 107.32 102.22 1hl5 s GLY 147 Ca 0.13 0.41 -0.23 0.00 0.00 0.00 0.00 44.72 45.03 1hl5 s GLY 147 CO 0.05 0.13 0.71 0.14 0.00 0.00 0.00 173.10 174.14 1hl5 s VAL 148 N -3.56 4.53 -0.26 1.40 1.01 -1.26 -1.26 120.40 121.00 1hl5 s VAL 148 Ca 0.06 1.55 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 1hl5 s VAL 148 Cb -0.02 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1hl5 s VAL 148 CO -0.06 0.51 0.93 -0.63 0.00 0.00 0.00 175.10 175.85 1hl5 s ILE 149 N -0.97 4.73 0.19 2.22 1.01 0.26 -4.49 121.20 124.16 1hl5 s ILE 149 Ca 0.34 1.69 0.09 0.00 0.00 0.00 0.00 60.65 62.77 1hl5 s ILE 149 Cb -0.22 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1hl5 s ILE 149 CO 0.24 -0.19 -0.10 -0.83 0.00 0.00 0.00 174.94 174.06 1hl5 s GLY 150 N 1.38 1.73 0.20 6.18 0.00 0.44 -0.62 107.32 116.62 1hl5 s GLY 150 Ca 0.39 -1.52 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 1hl5 s GLY 150 CO 0.09 -1.54 1.55 -0.42 0.00 0.00 0.00 173.10 172.77 1hl5 s ILE 151 N -1.80 2.55 0.19 0.90 1.01 -1.26 -0.60 121.20 122.19 1hl5 s ILE 151 Ca 0.26 0.42 0.07 0.00 0.00 0.00 0.00 60.65 61.39 1hl5 s ILE 151 Cb -0.08 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1hl5 s ILE 151 CO 0.15 0.04 0.04 0.00 0.00 0.00 0.00 174.94 175.18 1hl5 s ALA 152 N 0.78 3.29 -2.00 9.38 0.00 0.33 -4.78 121.76 128.77 1hl5 s ALA 152 Ca 0.67 -1.38 0.23 0.00 0.00 0.00 0.00 51.96 51.49 1hl5 s ALA 152 Cb -0.44 -1.06 1.38 0.00 0.00 0.00 0.00 23.12 23.01 1hl5 s ALA 152 CO 0.35 0.44 1.75 0.94 0.00 0.00 0.00 175.76 179.25