#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 4.41 0.03 0.00 2.01 0.20 -4.88 115.64 117.40 1hl5 s THR 2 Ca 0.00 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.60 1hl5 s THR 2 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1hl5 s THR 2 CO 0.00 0.32 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.59 1hl5 s LYS 3 N -1.66 0.82 0.15 4.92 1.02 -1.26 -0.67 119.74 123.06 1hl5 s LYS 3 Ca 0.42 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.74 1hl5 s LYS 3 Cb -0.20 -0.78 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1hl5 s LYS 3 CO 0.24 0.20 0.13 0.00 -0.92 0.00 0.00 175.35 174.99 1hl5 s ALA 4 N -0.74 0.71 0.03 5.17 0.00 -0.32 -1.54 121.76 125.06 1hl5 s ALA 4 Ca 0.00 -1.38 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 1hl5 s ALA 4 Cb -0.07 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.05 1hl5 s ALA 4 CO 0.01 -0.55 0.36 0.54 0.00 0.00 0.00 175.76 176.11 1hl5 s VAL 5 N -4.05 0.06 -0.07 0.00 0.11 0.53 -0.97 120.40 116.00 1hl5 s VAL 5 Ca 0.26 -0.53 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1hl5 s VAL 5 Cb 0.06 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1hl5 s VAL 5 CO 0.04 -0.29 0.17 0.00 -3.33 0.00 0.00 175.10 171.68 1hl5 s VAL 7 N 1.27 5.21 -0.21 0.00 1.01 -1.26 -0.71 120.40 125.70 1hl5 s VAL 7 Ca -0.08 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1hl5 s VAL 7 Cb -0.11 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1hl5 s VAL 7 CO -0.06 -0.11 0.57 -0.76 0.00 0.00 0.00 175.10 174.73 1hl5 s LEU 8 N 1.90 4.12 0.05 3.92 1.43 0.18 -3.83 118.68 126.45 1hl5 s LEU 8 Ca 0.09 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1hl5 s LEU 8 Cb -0.17 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1hl5 s LEU 8 CO 0.11 -0.25 -0.00 -0.54 0.23 0.00 0.00 176.35 175.90 1hl5 s LYS 9 N 1.94 0.62 0.00 1.70 1.02 -0.65 -1.80 119.74 122.57 1hl5 s LYS 9 Ca 0.26 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1hl5 s LYS 9 Cb -0.16 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1hl5 s LYS 9 CO 0.10 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1hl5 n GLY 10 N 0.18 3.26 0.20 -3.33 0.00 -1.25 -1.37 105.19 102.89 1hl5 n GLY 10 Ca -0.15 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.06 1hl5 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl5 h ASP 11 N 0.00 0.00 -0.51 1.61 3.45 -1.92 -3.47 116.42 115.58 1hl5 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1hl5 h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1hl5 h ASP 11 CO 0.00 0.15 0.00 0.61 -1.57 0.00 0.00 179.24 178.43 1hl5 n GLY 12 N 0.99 2.24 0.04 2.75 0.00 -1.26 -5.02 105.19 104.94 1hl5 n GLY 12 Ca 0.03 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1hl5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 13 N 0.00 0.29 -2.46 1.61 -0.04 -1.26 -4.87 135.00 128.27 1hl5 n PRO 13 Ca 0.00 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1hl5 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1hl5 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl5 s VAL 14 N -2.77 4.26 -0.07 0.52 1.01 -1.26 -4.29 120.40 117.80 1hl5 s VAL 14 Ca 0.20 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.56 1hl5 s VAL 14 Cb 0.19 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1hl5 s VAL 14 CO 0.54 -0.01 0.47 0.00 0.00 0.00 0.00 175.10 176.10 1hl5 s GLN 15 N 2.28 0.76 0.14 2.72 -2.07 -0.88 -3.79 119.66 118.81 1hl5 s GLN 15 Ca 0.56 0.18 -0.22 0.00 -1.82 0.00 0.00 55.36 54.06 1hl5 s GLN 15 Cb -0.24 0.35 0.08 0.00 -1.09 0.00 0.00 33.01 32.11 1hl5 s GLN 15 CO 0.21 -0.20 1.05 0.41 -1.32 0.00 0.00 175.29 175.45 1hl5 n GLY 16 N 1.58 0.54 2.77 2.60 0.00 -0.74 -0.37 105.19 111.56 1hl5 n GLY 16 Ca -0.19 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.06 0.17 -0.08 -0.61 1.01 -0.81 -0.65 121.20 118.17 1hl5 s ILE 17 Ca 0.24 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1hl5 s ILE 17 Cb -0.02 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 1hl5 s ILE 17 CO 0.04 0.19 -0.23 -0.63 0.00 0.00 0.00 174.94 174.31 1hl5 s ILE 18 N 1.62 1.94 0.10 2.92 -1.09 0.11 -2.10 121.20 124.70 1hl5 s ILE 18 Ca -0.01 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1hl5 s ILE 18 Cb -0.13 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.04 1hl5 s ILE 18 CO -0.03 0.54 0.20 0.20 -1.23 0.00 0.00 174.94 174.62 1hl5 s ASN 19 N 0.20 6.15 -0.01 3.58 -0.87 0.15 -0.71 114.94 123.43 1hl5 s ASN 19 Ca -0.13 0.16 0.03 0.00 -1.57 0.00 0.00 52.86 51.35 1hl5 s ASN 19 Cb -0.16 -1.83 -0.01 0.00 -0.02 0.00 0.00 41.25 39.23 1hl5 s ASN 19 CO 0.07 0.13 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.26 1hl5 s PHE 20 N -1.58 0.95 -0.09 2.20 0.40 -0.14 -1.23 117.98 118.49 1hl5 s PHE 20 Ca 0.34 -0.18 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1hl5 s PHE 20 Cb -0.12 -0.62 0.04 0.00 0.51 0.00 0.00 43.02 42.83 1hl5 s PHE 20 CO 0.27 -0.02 0.21 -2.00 0.70 0.00 0.00 175.22 174.38 1hl5 s GLU 21 N -0.22 0.18 -0.20 0.44 2.12 0.01 -1.18 118.70 119.85 1hl5 s GLU 21 Ca 0.04 0.44 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 1hl5 s GLU 21 Cb -0.04 -0.09 0.06 0.00 0.26 0.00 0.00 34.13 34.31 1hl5 s GLU 21 CO -0.00 -0.14 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.43 1hl5 s GLN 22 N 1.02 1.05 0.26 4.30 0.74 0.15 -0.75 119.66 126.43 1hl5 s GLN 22 Ca -0.07 -0.59 0.14 0.00 0.05 0.00 0.00 55.36 54.88 1hl5 s GLN 22 Cb -0.09 -2.21 0.19 0.00 1.10 0.00 0.00 33.01 32.00 1hl5 s GLN 22 CO -0.06 -0.59 1.50 0.87 -0.55 0.00 0.00 175.29 176.45 1hl5 h LYS 23 N 8.14 0.00 -4.96 1.67 1.57 -1.83 0.58 116.57 121.74 1hl5 h LYS 23 Ca -0.18 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.18 1hl5 h LYS 23 Cb 1.10 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.14 1hl5 h LYS 23 CO 0.37 0.60 -0.79 -1.21 -0.57 0.00 0.00 179.45 177.85 1hl5 s GLU 24 N -3.13 0.86 0.17 3.15 2.02 -1.26 -4.23 118.70 116.28 1hl5 s GLU 24 Ca 0.02 -0.46 -0.33 0.00 0.02 0.00 0.00 54.97 54.21 1hl5 s GLU 24 Cb 0.10 -0.83 -0.15 0.00 0.10 0.00 0.00 34.13 33.34 1hl5 s GLU 24 CO 0.75 0.22 1.24 -1.13 0.02 0.00 0.00 175.26 176.36 1hl5 n SER 25 N 2.60 1.65 0.00 -0.19 3.41 -1.26 -0.52 113.62 119.31 1hl5 n SER 25 Ca -0.15 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1hl5 n SER 25 Cb 0.56 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1hl5 n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hl5 n ASN 26 N 2.14 -2.62 -3.57 4.04 5.15 -1.26 -4.96 115.26 114.19 1hl5 n ASN 26 Ca 0.15 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.91 1hl5 n ASN 26 Cb 0.25 -2.79 0.14 0.00 -0.53 0.00 0.00 39.78 36.86 1hl5 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hl5 n GLY 27 N -0.52 -0.96 3.75 8.20 0.00 0.32 -5.01 105.19 110.97 1hl5 n GLY 27 Ca 0.00 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1hl5 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hl5 s PRO 28 N -5.06 3.28 -0.20 1.61 0.02 -1.26 -4.80 135.00 128.59 1hl5 s PRO 28 Ca 0.56 2.29 -0.05 0.00 0.02 0.00 0.00 61.00 63.83 1hl5 s PRO 28 Cb -0.02 -2.36 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 1hl5 s PRO 28 CO 0.39 -1.10 -0.00 0.08 -0.33 0.00 0.00 177.00 176.04 1hl5 s VAL 29 N -1.27 3.97 -0.05 3.83 1.01 0.01 -4.30 120.40 123.61 1hl5 s VAL 29 Ca 0.69 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 1hl5 s VAL 29 Cb -0.42 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1hl5 s VAL 29 CO 0.50 0.43 0.57 -0.54 0.00 0.00 0.00 175.10 176.07 1hl5 s LYS 30 N 0.95 4.33 -0.12 2.72 1.02 0.07 -0.93 119.74 127.77 1hl5 s LYS 30 Ca 0.01 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1hl5 s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1hl5 s LYS 30 CO 0.02 0.27 -0.11 0.14 -0.92 0.00 0.00 175.35 174.74 1hl5 s VAL 31 N 0.18 1.27 0.02 3.17 -7.23 0.36 -0.81 120.40 117.36 1hl5 s VAL 31 Ca 0.30 -0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 59.80 1hl5 s VAL 31 Cb -0.17 -1.22 0.04 0.00 0.56 0.00 0.00 36.38 35.59 1hl5 s VAL 31 CO 0.15 0.40 0.47 -1.66 -0.31 0.00 0.00 175.10 174.16 1hl5 s TRP 32 N 1.42 -0.36 -5.00 2.82 -2.14 -0.37 -0.66 118.94 114.64 1hl5 s TRP 32 Ca 0.01 0.45 0.00 0.00 2.66 0.00 0.00 56.10 59.22 1hl5 s TRP 32 Cb -0.13 0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 1hl5 s TRP 32 CO -0.07 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.06 1hl5 n GLY 33 N 0.66 -1.14 3.14 3.67 0.00 -1.00 0.29 105.19 110.81 1hl5 n GLY 33 Ca -0.19 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 1.98 -0.05 1.61 0.15 -0.89 -0.68 113.70 111.82 1hl5 s SER 34 Ca 0.00 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.39 1hl5 s SER 34 Cb 0.00 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1hl5 s SER 34 CO 0.00 0.18 -0.21 -0.63 1.20 0.00 0.00 173.24 173.78 1hl5 s ILE 35 N -0.23 1.72 0.42 6.45 1.01 0.20 -1.93 121.20 128.85 1hl5 s ILE 35 Ca 0.03 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1hl5 s ILE 35 Cb -0.08 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1hl5 s ILE 35 CO 0.00 0.49 0.05 -1.59 0.00 0.00 0.00 174.94 173.89 1hl5 s LYS 36 N -0.08 1.96 -0.51 2.79 -2.85 0.51 -0.25 119.74 121.31 1hl5 s LYS 36 Ca -0.03 -2.18 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 1hl5 s LYS 36 Cb -0.12 -1.18 0.00 0.00 -2.06 0.00 0.00 37.83 34.46 1hl5 s LYS 36 CO 0.03 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1hl5 n GLY 37 N -0.99 0.64 3.95 0.59 0.00 -1.09 -2.07 105.19 106.22 1hl5 n GLY 37 Ca -0.09 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.21 4.28 0.43 0.99 1.43 -0.45 -4.16 118.68 120.00 1hl5 s LEU 38 Ca 0.00 0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 1hl5 s LEU 38 Cb 0.00 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 1hl5 s LEU 38 CO 0.00 -0.02 1.17 0.42 0.23 0.00 0.00 176.35 178.14 1hl5 s THR 39 N -1.90 3.13 0.42 5.49 -4.23 -1.26 -4.03 115.64 113.25 1hl5 s THR 39 Ca 0.34 0.90 -0.26 0.00 -1.18 0.00 0.00 61.69 61.49 1hl5 s THR 39 Cb -0.10 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 1hl5 s THR 39 CO 0.28 0.04 1.28 1.21 -0.54 0.00 0.00 174.62 176.89 1hl5 n GLU 40 N -0.19 1.96 0.00 3.99 2.13 -1.26 -4.61 120.64 122.67 1hl5 n GLU 40 Ca 0.06 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1hl5 n GLU 40 Cb 0.47 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1hl5 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl5 n GLY 41 N 0.80 -0.73 3.77 8.31 0.00 0.20 -4.90 105.19 112.64 1hl5 n GLY 41 Ca 0.06 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 4.46 -0.03 0.99 1.02 -1.26 -0.43 118.68 123.43 1hl5 s LEU 42 Ca 0.00 1.85 0.01 0.00 0.02 0.00 0.00 54.13 56.00 1hl5 s LEU 42 Cb 0.00 -3.82 0.02 0.00 0.02 0.00 0.00 46.19 42.41 1hl5 s LEU 42 CO 0.00 0.03 -0.02 -1.00 0.02 0.00 0.00 176.35 175.38 1hl5 s HIS 43 N -1.44 0.46 0.52 0.29 3.76 0.51 -3.04 115.29 116.35 1hl5 s HIS 43 Ca 0.46 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 55.07 1hl5 s HIS 43 Cb -0.21 -0.45 -0.06 0.00 1.11 0.00 0.00 32.58 32.97 1hl5 s HIS 43 CO 0.27 -0.12 1.29 0.20 -0.85 0.00 0.00 174.74 175.53 1hl5 s GLY 44 N 0.75 2.85 -0.19 -2.22 0.00 -0.26 -0.69 107.32 107.57 1hl5 s GLY 44 Ca -0.08 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 1hl5 s GLY 44 CO -0.01 1.70 0.19 -0.12 0.00 0.00 0.00 173.10 174.86 1hl5 s PHE 45 N -1.39 -0.18 0.05 1.90 5.36 -0.12 -0.83 117.98 122.77 1hl5 s PHE 45 Ca 0.69 0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.79 1hl5 s PHE 45 Cb -0.36 -0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.88 1hl5 s PHE 45 CO 0.43 -0.56 0.03 -1.01 -1.46 0.00 0.00 175.22 172.65 1hl5 s HIS 46 N 2.29 0.38 -0.26 10.12 3.76 -0.92 -2.65 115.29 128.01 1hl5 s HIS 46 Ca 0.06 -0.84 -0.13 0.00 -0.15 0.00 0.00 55.06 53.99 1hl5 s HIS 46 Cb -0.15 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1hl5 s HIS 46 CO -0.11 -0.38 0.29 0.08 -0.85 0.00 0.00 174.74 173.77 1hl5 s VAL 47 N -3.42 5.24 0.29 -0.90 1.01 -0.48 -0.47 120.40 121.68 1hl5 s VAL 47 Ca 0.02 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1hl5 s VAL 47 Cb 0.04 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1hl5 s VAL 47 CO -0.08 0.22 0.45 -1.00 0.00 0.00 0.00 175.10 174.69 1hl5 s HIS 48 N 1.80 3.48 0.12 5.22 3.76 0.14 -1.36 115.29 128.46 1hl5 s HIS 48 Ca 0.12 0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 55.04 1hl5 s HIS 48 Cb -0.16 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1hl5 s HIS 48 CO 0.10 0.28 1.66 1.49 -0.85 0.00 0.00 174.74 177.42 1hl5 h GLU 49 N 1.00 0.50 -6.06 1.40 4.81 -0.53 -2.77 114.58 112.94 1hl5 h GLU 49 Ca -0.51 -0.09 -0.67 0.00 -0.13 0.00 0.00 59.36 57.96 1hl5 h GLU 49 Cb 1.22 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 1hl5 h GLU 49 CO 0.61 0.51 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.72 1hl5 s PHE 50 N -5.53 3.16 -0.84 0.92 0.08 0.44 -4.65 117.98 111.55 1hl5 s PHE 50 Ca -0.13 0.15 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 1hl5 s PHE 50 Cb 0.09 -1.72 0.15 0.00 -0.57 0.00 0.00 43.02 40.96 1hl5 s PHE 50 CO 0.74 0.49 2.45 0.41 -0.10 0.00 0.00 175.22 179.21 1hl5 n GLY 51 N 1.57 4.98 3.09 4.36 0.00 -1.09 -3.74 105.19 114.34 1hl5 n GLY 51 Ca -0.15 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.01 4.58 -0.19 1.61 -1.08 -1.26 -4.97 116.67 115.35 1hl5 s ASP 52 Ca 0.54 -1.45 0.16 0.00 -0.52 0.00 0.00 52.55 51.28 1hl5 s ASP 52 Cb 0.31 -1.59 0.67 0.00 -1.46 0.00 0.00 42.92 40.84 1hl5 s ASP 52 CO -0.20 -0.23 1.58 -3.20 0.52 0.00 0.00 175.17 173.65 1hl5 n ASN 53 N 4.46 4.74 0.24 -0.34 4.05 -1.26 -2.77 115.26 124.38 1hl5 n ASN 53 Ca -0.12 -2.86 0.10 0.00 0.45 0.00 0.00 54.58 52.15 1hl5 n ASN 53 Cb 0.42 -0.59 0.62 0.00 1.23 0.00 0.00 39.78 41.46 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1hl5 h THR 54 N 3.04 0.78 -0.92 -0.44 1.35 -1.93 -2.52 112.91 112.26 1hl5 h THR 54 Ca 0.00 -0.66 -0.53 0.00 -0.55 0.00 0.00 66.41 64.67 1hl5 h THR 54 Cb 1.64 1.39 -0.42 0.00 -1.73 0.00 0.00 68.15 69.03 1hl5 h THR 54 CO 0.33 0.16 -0.83 0.00 -0.25 0.00 0.00 175.52 174.93 1hl5 n ALA 55 N -2.35 4.83 -0.51 6.62 0.00 -1.26 -5.06 120.51 122.78 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 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.63 0.03 0.24 0.00 0.00 -0.95 -3.34 105.19 100.54 1hl5 n GLY 56 Ca 0.39 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.62 1hl5 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hl5 h THR 58 N 0.00 1.23 0.00 0.00 2.02 -1.89 -2.35 112.91 111.93 1hl5 h THR 58 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1hl5 h THR 58 Cb 0.31 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1hl5 h THR 58 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1hl5 n SER 59 N -4.29 0.00 0.05 4.18 3.41 -1.12 -2.91 113.62 112.94 1hl5 n SER 59 Ca 0.05 -0.82 0.09 0.00 -0.26 0.00 0.00 58.87 57.92 1hl5 n SER 59 Cb 0.21 -0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.54 1hl5 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl5 n ALA 60 N -1.00 1.68 -0.06 7.33 0.00 -0.88 -4.46 120.51 123.11 1hl5 n ALA 60 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1hl5 n ALA 60 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.04 -1.72 1.10 0.00 0.00 -1.15 -0.42 105.19 103.05 1hl5 n GLY 61 Ca 0.03 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.07 -0.04 -1.91 1.61 -0.04 -1.26 -4.59 135.00 128.70 1hl5 n PRO 62 Ca 0.00 -0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 62.40 1hl5 n PRO 62 Cb 0.00 -0.30 0.01 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.36 2.58 0.02 0.54 3.76 -1.26 -0.28 115.29 119.30 1hl5 s HIS 63 Ca 0.20 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.15 1hl5 s HIS 63 Cb -0.01 -3.79 -0.08 0.00 1.11 0.00 0.00 32.58 29.81 1hl5 s HIS 63 CO 0.14 -2.57 1.79 0.12 -0.85 0.00 0.00 174.74 173.38 1hl5 s PHE 64 N -1.25 1.82 -0.44 1.40 5.36 -0.46 -4.47 117.98 119.94 1hl5 s PHE 64 Ca 0.61 -0.05 0.08 0.00 -0.96 0.00 0.00 56.93 56.60 1hl5 s PHE 64 Cb -0.40 -4.08 0.28 0.00 -0.34 0.00 0.00 43.02 38.48 1hl5 s PHE 64 CO 0.51 -4.62 0.83 -1.71 -1.46 0.00 0.00 175.22 168.77 1hl5 n ASN 65 N 6.82 -1.37 0.29 6.13 5.15 -1.26 -1.47 115.26 129.54 1hl5 n ASN 65 Ca 0.18 -3.21 0.16 0.00 -0.60 0.00 0.00 54.58 51.12 1hl5 n ASN 65 Cb 0.41 0.83 0.83 0.00 -0.53 0.00 0.00 39.78 41.33 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 3.57 0.00 -0.46 1.20 0.13 -1.95 -2.15 132.00 132.35 1hl5 h PRO 66 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1hl5 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1hl5 h PRO 66 CO 0.34 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1hl5 n LEU 67 N -3.36 2.76 -3.89 1.56 4.77 -1.26 -4.96 117.00 112.62 1hl5 n LEU 67 Ca -0.01 -1.32 -0.25 0.00 -0.03 0.00 0.00 56.01 54.39 1hl5 n LEU 67 Cb 0.22 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1hl5 n LEU 67 CO 0.27 0.66 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.65 1hl5 n SER 68 N 1.01 -1.09 -4.99 -1.43 7.64 -0.81 -4.97 113.62 108.98 1hl5 n SER 68 Ca 0.18 -0.93 -0.19 0.00 1.01 0.00 0.00 58.87 58.93 1hl5 n SER 68 Cb 0.45 -3.41 0.02 0.00 -1.01 0.00 0.00 64.21 60.27 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 -6.40 2.54 0.47 1.43 0.52 -1.26 -5.12 118.95 111.11 1hl5 s ARG 69 Ca 0.10 -1.51 -0.03 0.00 -0.52 0.00 0.00 55.73 53.77 1hl5 s ARG 69 Cb -0.05 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 1hl5 s ARG 69 CO 0.86 -0.51 0.73 0.15 0.02 0.00 0.00 175.30 176.55 1hl5 s LYS 70 N -4.42 3.27 0.43 3.54 3.01 -1.26 -4.74 119.74 119.57 1hl5 s LYS 70 Ca 0.54 -0.15 -0.25 0.00 -1.01 0.00 0.00 55.97 55.10 1hl5 s LYS 70 Cb -0.07 -2.47 -0.08 0.00 -1.01 0.00 0.00 37.83 34.20 1hl5 s LYS 70 CO 0.33 -0.25 1.37 -1.58 0.51 0.00 0.00 175.35 175.74 1hl5 s HIS 71 N -2.65 2.62 0.09 3.18 2.46 -0.04 -3.36 115.29 117.58 1hl5 s HIS 71 Ca 0.47 1.33 -0.03 0.00 0.47 0.00 0.00 55.06 57.31 1hl5 s HIS 71 Cb -0.10 -3.80 0.01 0.00 -0.13 0.00 0.00 32.58 28.56 1hl5 s HIS 71 CO 0.41 -2.55 0.16 0.41 -2.47 0.00 0.00 174.74 170.70 1hl5 n GLY 72 N 0.62 2.10 3.91 1.59 0.00 -1.25 -4.40 105.19 107.75 1hl5 n GLY 72 Ca 0.05 -1.17 -0.27 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 -1.48 1.59 0.63 -0.02 0.00 -1.22 -4.72 107.32 102.10 1hl5 s GLY 73 Ca 0.05 -0.65 0.35 0.00 0.00 0.00 0.00 44.72 44.46 1hl5 s GLY 73 CO 0.03 -0.39 2.19 -0.56 0.00 0.00 0.00 173.10 174.37 1hl5 h PRO 74 N -0.11 0.00 0.00 2.90 0.13 -1.86 -2.04 132.00 131.02 1hl5 h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hl5 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1hl5 h PRO 74 CO 0.61 0.00 -0.22 1.63 -0.23 0.00 0.00 178.00 179.79 1hl5 n LYS 75 N -3.38 0.05 -3.06 0.86 4.01 -1.26 -4.92 118.16 110.46 1hl5 n LYS 75 Ca -0.01 0.03 -0.36 0.00 -0.51 0.00 0.00 58.31 57.45 1hl5 n LYS 75 Cb 0.21 -1.55 -0.06 0.00 -0.51 0.00 0.00 35.03 33.12 1hl5 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1hl5 s ASP 76 N -3.26 7.10 0.16 4.39 1.01 -0.77 -4.96 116.67 120.34 1hl5 s ASP 76 Ca 0.12 1.48 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 1hl5 s ASP 76 Cb 0.17 -2.44 0.04 0.00 1.01 0.00 0.00 42.92 41.70 1hl5 s ASP 76 CO 0.61 0.03 1.62 -0.08 0.21 0.00 0.00 175.17 177.56 1hl5 h GLU 77 N 3.42 0.95 -5.62 8.23 4.57 -1.91 -3.33 114.58 120.89 1hl5 h GLU 77 Ca -0.48 -0.29 -0.62 0.00 -1.18 0.00 0.00 59.36 56.79 1hl5 h GLU 77 Cb 1.19 -0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 29.56 1hl5 h GLU 77 CO 0.65 0.95 0.79 -2.00 -1.18 0.00 0.00 179.01 178.22 1hl5 s GLU 78 N -5.06 3.26 0.16 1.92 2.56 -1.26 -4.96 118.70 115.32 1hl5 s GLU 78 Ca -0.12 -0.91 -0.16 0.00 0.00 0.00 0.00 54.97 53.78 1hl5 s GLU 78 Cb 0.12 -4.46 0.03 0.00 2.00 0.00 0.00 34.13 31.82 1hl5 s GLU 78 CO 0.83 -1.92 0.44 -0.98 -0.56 0.00 0.00 175.26 173.08 1hl5 s ARG 79 N 4.24 1.21 0.42 4.30 1.04 -1.22 -3.96 118.95 124.98 1hl5 s ARG 79 Ca 0.29 -0.81 -0.22 0.00 -1.04 0.00 0.00 55.73 53.95 1hl5 s ARG 79 Cb -0.11 0.48 -0.10 0.00 -2.04 0.00 0.00 34.95 33.18 1hl5 s ARG 79 CO 0.06 -0.49 0.98 -1.01 -0.04 0.00 0.00 175.30 174.79 1hl5 s HIS 80 N -3.85 3.31 0.36 5.89 3.76 -1.21 -4.68 115.29 118.87 1hl5 s HIS 80 Ca 0.07 1.64 0.13 0.00 -0.15 0.00 0.00 55.06 56.74 1hl5 s HIS 80 Cb 0.01 -2.94 0.95 0.00 1.11 0.00 0.00 32.58 31.71 1hl5 s HIS 80 CO -0.07 -0.26 1.79 0.28 -0.85 0.00 0.00 174.74 175.64 1hl5 h VAL 81 N 1.99 0.64 0.00 -0.90 2.07 -1.88 -1.08 116.25 117.09 1hl5 h VAL 81 Ca -0.49 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1hl5 h VAL 81 Cb 1.19 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1hl5 h VAL 81 CO 0.61 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1hl5 n GLY 82 N -1.42 -0.88 3.55 2.17 0.00 -0.54 -4.39 105.19 103.67 1hl5 n GLY 82 Ca 0.23 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.75 6.36 -0.00 1.61 1.01 -0.41 -1.38 116.67 122.11 1hl5 s ASP 83 Ca 0.30 -1.05 0.22 0.00 0.71 0.00 0.00 52.55 52.73 1hl5 s ASP 83 Cb 0.14 -2.55 0.64 0.00 1.01 0.00 0.00 42.92 42.15 1hl5 s ASP 83 CO 0.23 -1.62 1.53 0.18 0.21 0.00 0.00 175.17 175.70 1hl5 n LEU 84 N 8.95 3.88 0.00 1.23 4.77 -1.08 -3.49 117.00 131.26 1hl5 n LEU 84 Ca 0.19 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 1hl5 n LEU 84 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1hl5 n LEU 84 CO 0.67 0.97 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 1hl5 n GLY 85 N 1.65 0.32 3.52 -0.72 0.00 -1.19 -4.78 105.19 103.99 1hl5 n GLY 85 Ca 0.24 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 4.00 0.15 1.61 0.01 -1.26 -0.94 114.94 114.51 1hl5 s ASN 86 Ca 0.00 -0.64 0.08 0.00 -0.71 0.00 0.00 52.86 51.59 1hl5 s ASN 86 Cb 0.00 -0.58 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 1hl5 s ASN 86 CO 0.00 0.12 -0.07 0.68 -1.51 0.00 0.00 177.10 176.32 1hl5 s VAL 87 N -1.58 3.42 -0.20 1.60 -7.23 0.14 -4.90 120.40 111.65 1hl5 s VAL 87 Ca 0.23 -1.44 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1hl5 s VAL 87 Cb -0.09 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1hl5 s VAL 87 CO 0.13 -0.03 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.95 1hl5 s THR 88 N -1.53 3.38 -0.08 5.32 2.01 -1.26 -0.36 115.64 123.12 1hl5 s THR 88 Ca 0.24 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1hl5 s THR 88 Cb -0.10 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1hl5 s THR 88 CO 0.16 0.45 0.41 0.00 -0.69 0.00 0.00 174.62 174.94 1hl5 s ALA 89 N 1.18 3.59 1.00 7.40 0.00 0.43 -4.29 121.76 131.08 1hl5 s ALA 89 Ca 0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1hl5 s ALA 89 Cb -0.14 -2.48 0.18 0.00 0.00 0.00 0.00 23.12 20.67 1hl5 s ALA 89 CO -0.01 0.22 1.03 -0.40 0.00 0.00 0.00 175.76 176.60 1hl5 n ASP 90 N 2.87 0.06 0.04 0.00 5.68 -0.13 -0.63 116.55 124.44 1hl5 n ASP 90 Ca -0.11 -1.37 0.21 0.00 -0.50 0.00 0.00 54.79 53.02 1hl5 n ASP 90 Cb 0.52 -0.79 0.73 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.26 0.11 5.09 -1.98 0.17 116.57 119.71 1hl5 h LYS 91 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.40 1hl5 h LYS 91 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.25 1hl5 h LYS 91 CO 0.24 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.35 1hl5 n ASP 92 N -4.10 1.96 0.00 7.07 8.00 -1.26 -4.85 116.55 123.36 1hl5 n ASP 92 Ca 0.09 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1hl5 n ASP 92 Cb 0.60 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 1.16 0.52 3.67 0.44 0.00 0.59 -4.75 105.19 106.82 1hl5 n GLY 93 Ca 0.15 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 5.16 -0.31 1.61 1.01 -1.26 -1.34 120.40 123.28 1hl5 s VAL 94 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1hl5 s VAL 94 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1hl5 s VAL 94 CO 0.00 0.41 0.12 0.00 0.00 0.00 0.00 175.10 175.63 1hl5 s ALA 95 N 0.65 3.15 -0.84 5.51 0.00 0.66 -0.95 121.76 129.94 1hl5 s ALA 95 Ca 0.06 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 1hl5 s ALA 95 Cb -0.12 -2.27 0.13 0.00 0.00 0.00 0.00 23.12 20.85 1hl5 s ALA 95 CO 0.01 -0.98 1.02 -0.51 0.00 0.00 0.00 175.76 175.30 1hl5 s ASP 96 N 1.54 6.53 0.24 0.00 -0.00 -1.26 -0.63 116.67 123.08 1hl5 s ASP 96 Ca 0.03 -1.89 -0.30 0.00 -0.00 0.00 0.00 52.55 50.39 1hl5 s ASP 96 Cb -0.17 -2.37 -0.09 0.00 -0.00 0.00 0.00 42.92 40.29 1hl5 s ASP 96 CO 0.04 -1.07 1.06 -0.69 -0.00 0.00 0.00 175.17 174.51 1hl5 s VAL 97 N 2.62 3.74 -0.28 -1.27 1.01 0.14 -4.91 120.40 121.46 1hl5 s VAL 97 Ca 0.27 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1hl5 s VAL 97 Cb -0.09 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.39 1hl5 s VAL 97 CO -0.05 0.37 0.48 -0.55 0.00 0.00 0.00 175.10 175.35 1hl5 s SER 98 N -0.71 -0.50 0.02 3.32 0.15 -1.25 -2.39 113.70 112.34 1hl5 s SER 98 Ca 0.45 0.26 0.01 0.00 0.70 0.00 0.00 55.95 57.37 1hl5 s SER 98 Cb -0.30 1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 1hl5 s SER 98 CO 0.37 -0.30 -0.03 -0.63 1.20 0.00 0.00 173.24 173.85 1hl5 s ILE 99 N 2.68 0.18 -0.04 6.45 1.01 0.16 -5.01 121.20 126.64 1hl5 s ILE 99 Ca 0.14 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1hl5 s ILE 99 Cb -0.14 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1hl5 s ILE 99 CO -0.22 -0.31 -0.17 -0.70 0.00 0.00 0.00 174.94 173.54 1hl5 s GLU 100 N -1.03 1.73 -0.07 2.79 2.12 -1.26 -0.49 118.70 122.49 1hl5 s GLU 100 Ca -0.10 -0.59 -0.05 0.00 0.36 0.00 0.00 54.97 54.60 1hl5 s GLU 100 Cb -0.07 -1.51 0.03 0.00 0.26 0.00 0.00 34.13 32.84 1hl5 s GLU 100 CO -0.00 0.23 0.17 0.34 -0.54 0.00 0.00 175.26 175.46 1hl5 s ASP 101 N 0.05 -0.17 0.00 -1.70 2.15 -0.11 -4.95 116.67 111.94 1hl5 s ASP 101 Ca -0.04 0.35 0.14 0.00 0.43 0.00 0.00 52.55 53.43 1hl5 s ASP 101 Cb -0.11 0.30 0.20 0.00 -0.30 0.00 0.00 42.92 43.01 1hl5 s ASP 101 CO 0.02 -0.10 1.06 -1.20 -0.17 0.00 0.00 175.17 174.78 1hl5 n SER 102 N 3.51 2.47 -0.06 -0.34 7.64 -1.26 -0.81 113.62 124.77 1hl5 n SER 102 Ca -0.18 -1.71 -0.21 0.00 1.01 0.00 0.00 58.87 57.78 1hl5 n SER 102 Cb 0.56 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.54 1hl5 n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1hl5 h VAL 103 N 2.69 1.05 -4.15 0.44 2.07 -1.92 -3.46 116.25 112.96 1hl5 h VAL 103 Ca 0.00 -2.28 -0.49 0.00 0.82 0.00 0.00 66.70 64.75 1hl5 h VAL 103 Cb 0.65 2.55 0.14 0.00 -1.52 0.00 0.00 31.29 33.10 1hl5 h VAL 103 CO 0.00 0.51 0.28 0.27 0.02 0.00 0.00 177.57 178.65 1hl5 s ILE 104 N -2.39 2.85 0.18 4.57 -4.36 -1.26 -4.85 121.20 115.93 1hl5 s ILE 104 Ca -0.24 0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 60.30 1hl5 s ILE 104 Cb 0.04 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.95 1hl5 s ILE 104 CO 0.67 -0.36 0.36 -0.55 0.24 0.00 0.00 174.94 175.30 1hl5 s SER 105 N -3.50 -0.05 -0.11 4.36 0.15 -0.98 -4.69 113.70 108.88 1hl5 s SER 105 Ca 0.63 -0.76 0.16 0.00 0.70 0.00 0.00 55.95 56.68 1hl5 s SER 105 Cb -0.17 0.49 0.57 0.00 -1.71 0.00 0.00 66.02 65.20 1hl5 s SER 105 CO 0.56 -0.95 1.49 0.18 1.20 0.00 0.00 173.24 175.72 1hl5 n LEU 106 N -0.26 4.13 -3.67 3.45 4.77 -1.26 -1.70 117.00 122.46 1hl5 n LEU 106 Ca -0.08 -2.50 -0.10 0.00 -0.03 0.00 0.00 56.01 53.30 1hl5 n LEU 106 Cb 0.63 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1hl5 n LEU 106 CO 0.22 0.75 0.37 -0.94 -1.33 0.00 0.00 177.39 176.46 1hl5 s SER 107 N -1.20 -0.36 0.00 -1.43 1.04 -1.26 -4.85 113.70 105.65 1hl5 s SER 107 Ca 0.42 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1hl5 s SER 107 Cb 0.28 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.03 1hl5 s SER 107 CO 0.18 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1hl5 n GLY 108 N -0.38 -1.89 0.30 7.32 0.00 -1.26 -3.82 105.19 105.46 1hl5 n GLY 108 Ca -0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 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 0.76 -0.60 1.61 3.45 -2.01 -2.10 116.42 117.53 1hl5 h ASP 109 Ca 0.00 -0.12 -0.19 0.00 0.43 0.00 0.00 57.03 57.15 1hl5 h ASP 109 Cb 0.00 -0.20 -0.11 0.00 -0.56 0.00 0.00 39.33 38.46 1hl5 h ASP 109 CO 0.00 0.73 0.24 1.41 -1.57 0.00 0.00 179.24 180.05 1hl5 n HIS 110 N -4.29 1.97 -1.76 4.55 8.25 -1.26 -4.97 115.22 117.70 1hl5 n HIS 110 Ca 0.04 -1.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.06 1hl5 n HIS 110 Cb 0.21 -0.60 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 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 2.00 0.00 -1.82 0.00 -5.35 -0.69 -4.91 119.36 108.60 1hl5 n ILE 112 Ca 0.08 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.71 1hl5 n ILE 112 Cb 0.37 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.41 2.24 0.00 7.28 1.01 -1.26 -1.52 121.20 127.53 1hl5 s ILE 113 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1hl5 s ILE 113 Cb 0.11 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1hl5 s ILE 113 CO 0.26 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1hl5 n GLY 114 N 3.23 0.84 1.84 6.18 0.00 0.45 -4.99 105.19 112.74 1hl5 n GLY 114 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.86 -5.09 1.61 1.74 -0.58 -2.69 116.66 110.52 1hl5 n ARG 115 Ca 0.00 -1.50 -0.32 0.00 -0.77 0.00 0.00 57.85 55.25 1hl5 n ARG 115 Cb 0.00 -0.06 -0.16 0.00 -1.02 0.00 0.00 32.46 31.22 1hl5 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1hl5 s THR 116 N -0.81 2.36 -0.07 0.55 2.01 -1.04 -0.40 115.64 118.25 1hl5 s THR 116 Ca 0.26 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 1hl5 s THR 116 Cb -0.02 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1hl5 s THR 116 CO 0.17 0.55 0.37 -0.22 -0.69 0.00 0.00 174.62 174.80 1hl5 s LEU 117 N 0.25 4.38 -0.03 4.42 2.96 -0.35 0.28 118.68 130.58 1hl5 s LEU 117 Ca -0.14 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 1hl5 s LEU 117 Cb -0.17 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 1hl5 s LEU 117 CO 0.07 0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 1hl5 s VAL 118 N -0.39 1.11 -0.09 1.68 1.01 0.38 -2.00 120.40 122.11 1hl5 s VAL 118 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1hl5 s VAL 118 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1hl5 s VAL 118 CO 0.10 0.33 -0.04 0.54 0.00 0.00 0.00 175.10 176.02 1hl5 s VAL 119 N 0.09 3.92 0.33 2.92 0.11 -0.52 -2.16 120.40 125.09 1hl5 s VAL 119 Ca -0.03 -0.39 0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1hl5 s VAL 119 Cb -0.10 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.09 1hl5 s VAL 119 CO 0.01 0.59 0.23 -1.00 -3.33 0.00 0.00 175.10 171.60 1hl5 s HIS 120 N -0.67 2.84 0.16 1.54 3.76 -0.01 -1.31 115.29 121.60 1hl5 s HIS 120 Ca 0.10 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 1hl5 s HIS 120 Cb -0.12 -1.72 0.06 0.00 1.11 0.00 0.00 32.58 31.91 1hl5 s HIS 120 CO 0.02 0.25 1.69 1.49 -0.85 0.00 0.00 174.74 177.34 1hl5 h GLU 121 N 1.36 0.87 -5.28 1.40 4.81 -0.73 -3.38 114.58 113.64 1hl5 h GLU 121 Ca -0.44 -0.18 -0.61 0.00 -0.13 0.00 0.00 59.36 57.99 1hl5 h GLU 121 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 1hl5 h GLU 121 CO 0.60 0.78 -0.55 0.15 -0.73 0.00 0.00 179.01 179.27 1hl5 s LYS 122 N -5.42 2.00 0.55 1.92 1.02 0.95 -4.93 119.74 115.83 1hl5 s LYS 122 Ca -0.13 -2.21 -0.20 0.00 0.02 0.00 0.00 55.97 53.46 1hl5 s LYS 122 Cb 0.12 -1.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.13 1hl5 s LYS 122 CO 0.80 -0.29 1.15 0.00 -0.92 0.00 0.00 175.35 176.10 1hl5 s ALA 123 N -2.98 2.68 -0.15 5.17 0.00 -1.17 -1.10 121.76 124.22 1hl5 s ALA 123 Ca 0.21 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 1hl5 s ALA 123 Cb 0.05 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1hl5 s ALA 123 CO 0.11 -0.86 0.70 0.34 0.00 0.00 0.00 175.76 176.05 1hl5 s ASP 124 N -1.68 6.85 -0.01 0.00 -1.08 -1.26 -3.87 116.67 115.62 1hl5 s ASP 124 Ca 0.73 1.03 0.06 0.00 -0.52 0.00 0.00 52.55 53.85 1hl5 s ASP 124 Cb -0.26 -2.40 0.18 0.00 -1.46 0.00 0.00 42.92 38.98 1hl5 s ASP 124 CO 0.29 -0.26 1.10 -0.90 0.52 0.00 0.00 175.17 175.92 1hl5 n ASP 125 N 4.72 1.20 -2.49 -0.34 5.68 0.41 -4.89 116.55 120.84 1hl5 n ASP 125 Ca 0.00 -2.03 -0.14 0.00 -0.50 0.00 0.00 54.79 52.12 1hl5 n ASP 125 Cb 0.50 -0.19 -0.01 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 0.08 -1.28 0.00 -2.12 4.77 -1.26 -1.51 117.00 115.68 1hl5 n LEU 126 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1hl5 n LEU 126 Cb 0.21 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1hl5 n LEU 126 CO 0.05 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1hl5 n GLY 127 N -0.86 0.57 1.02 -0.72 0.00 -1.25 -3.43 105.19 100.53 1hl5 n GLY 127 Ca -0.15 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 3.21 0.00 1.61 5.02 -0.57 -4.61 118.16 119.99 1hl5 n LYS 128 Ca 0.00 -2.67 0.14 0.00 -2.02 0.00 0.00 58.31 53.76 1hl5 n LYS 128 Cb 0.00 -1.74 0.55 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.13 -1.25 2.10 0.72 0.00 -1.26 -4.94 105.19 100.69 1hl5 n GLY 129 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 1.41 0.57 3.19 -0.02 0.00 -1.26 -4.99 105.19 104.08 1hl5 n GLY 130 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.73 0.45 0.18 1.61 2.20 -1.26 -5.05 114.94 110.34 1hl5 s ASN 131 Ca 0.00 -1.27 -0.13 0.00 -0.94 0.00 0.00 52.86 50.52 1hl5 s ASN 131 Cb 0.00 0.29 0.15 0.00 -2.00 0.00 0.00 41.25 39.69 1hl5 s ASN 131 CO 0.00 -0.74 1.77 -0.08 -2.94 0.00 0.00 177.10 175.11 1hl5 h GLU 132 N 2.73 0.44 -0.93 3.55 4.81 -2.00 -1.94 114.58 121.25 1hl5 h GLU 132 Ca -0.36 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1hl5 h GLU 132 Cb 1.22 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1hl5 h GLU 132 CO 0.58 0.29 0.61 1.49 -0.73 0.00 0.00 179.01 181.25 1hl5 h GLU 133 N 0.45 1.13 -0.90 1.92 4.57 -2.00 -0.02 114.58 119.73 1hl5 h GLU 133 Ca 0.23 -0.07 0.12 0.00 -1.18 0.00 0.00 59.36 58.46 1hl5 h GLU 133 Cb 0.18 -0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 28.44 1hl5 h GLU 133 CO -0.19 0.75 0.58 1.03 -1.18 0.00 0.00 179.01 180.00 1hl5 h SER 134 N 1.16 0.76 0.15 1.04 0.87 -1.69 0.56 113.55 116.41 1hl5 h SER 134 Ca 0.37 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1hl5 h SER 134 Cb 0.02 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1hl5 h SER 134 CO -0.11 0.42 0.00 0.35 -0.53 0.00 0.00 176.83 176.96 1hl5 n THR 135 N -4.55 0.03 -0.03 2.23 -2.24 -0.04 -2.36 114.28 107.32 1hl5 n THR 135 Ca 0.16 0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.89 1hl5 n THR 135 Cb 0.37 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.08 0.14 0.00 -0.78 5.02 -0.09 -0.86 118.16 120.51 1hl5 n LYS 136 Ca 0.19 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1hl5 n LYS 136 Cb 0.13 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 -3.19 0.00 -1.05 -0.18 -2.24 -0.00 -4.68 114.28 102.94 1hl5 n THR 137 Ca -0.12 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 1hl5 n THR 137 Cb 0.59 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 70.00 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 0.27 0.42 2.97 3.38 0.00 -1.00 -3.19 105.19 108.06 1hl5 n GLY 138 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.26 -6.15 -0.00 1.61 3.02 -1.25 -0.45 115.26 111.78 1hl5 n ASN 139 Ca -0.02 -0.27 0.15 0.00 -0.03 0.00 0.00 54.58 54.42 1hl5 n ASN 139 Cb 0.23 -4.98 0.84 0.00 -0.61 0.00 0.00 39.78 35.26 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 -3.44 2.57 -0.21 5.41 0.00 -1.19 -4.70 120.51 118.95 1hl5 n ALA 140 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1hl5 n ALA 140 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1hl5 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl5 n GLY 141 N 1.16 -0.44 3.76 0.00 0.00 -1.26 -0.03 105.19 108.38 1hl5 n GLY 141 Ca 0.18 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 4.00 -0.51 1.61 1.04 -1.26 -4.59 113.70 109.98 1hl5 s SER 142 Ca 0.00 1.41 -0.20 0.00 0.48 0.00 0.00 55.95 57.63 1hl5 s SER 142 Cb 0.00 -2.11 0.05 0.00 0.10 0.00 0.00 66.02 64.06 1hl5 s SER 142 CO 0.00 -2.30 0.68 -0.13 0.98 0.00 0.00 173.24 172.48 1hl5 s ARG 143 N -5.04 3.17 0.09 4.02 0.52 -1.26 -0.54 118.95 119.90 1hl5 s ARG 143 Ca 0.62 -0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 1hl5 s ARG 143 Cb -0.16 -4.08 -0.24 0.00 0.52 0.00 0.00 34.95 30.99 1hl5 s ARG 143 CO 0.56 -1.26 1.17 -0.07 0.02 0.00 0.00 175.30 175.72 1hl5 h LEU 144 N 9.93 0.52 -7.10 2.53 3.38 -1.50 -3.48 115.31 119.60 1hl5 h LEU 144 Ca -0.27 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.12 1hl5 h LEU 144 Cb 1.09 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 1hl5 h LEU 144 CO 0.98 1.37 0.10 0.00 0.09 0.00 0.00 178.44 180.98 1hl5 s ALA 145 N -2.84 -1.56 0.24 1.53 0.00 -1.16 -4.10 121.76 113.87 1hl5 s ALA 145 Ca -0.05 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1hl5 s ALA 145 Cb 0.07 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1hl5 s ALA 145 CO 0.89 -0.39 0.59 0.00 0.00 0.00 0.00 175.76 176.84 1hl5 s GLY 147 N -2.93 -0.51 0.09 0.00 0.00 -0.85 -1.63 107.32 101.49 1hl5 s GLY 147 Ca 0.13 0.55 -0.26 0.00 0.00 0.00 0.00 44.72 45.14 1hl5 s GLY 147 CO 0.04 0.18 0.81 0.14 0.00 0.00 0.00 173.10 174.27 1hl5 s VAL 148 N -3.56 4.60 -0.18 1.40 1.01 -1.26 -1.21 120.40 121.20 1hl5 s VAL 148 Ca 0.04 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 1hl5 s VAL 148 Cb -0.01 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1hl5 s VAL 148 CO -0.09 0.39 1.19 -0.63 0.00 0.00 0.00 175.10 175.96 1hl5 s ILE 149 N -0.29 4.40 0.32 2.22 1.01 0.47 -4.53 121.20 124.81 1hl5 s ILE 149 Ca 0.40 1.70 0.10 0.00 0.00 0.00 0.00 60.65 62.84 1hl5 s ILE 149 Cb -0.22 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1hl5 s ILE 149 CO 0.25 -0.14 -0.04 -0.83 0.00 0.00 0.00 174.94 174.18 1hl5 s GLY 150 N 1.71 2.02 0.14 6.18 0.00 0.33 -0.41 107.32 117.29 1hl5 s GLY 150 Ca 0.52 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 1hl5 s GLY 150 CO 0.13 -1.92 1.22 -0.42 0.00 0.00 0.00 173.10 172.11 1hl5 s ILE 151 N -2.51 3.65 0.23 0.90 1.01 -1.26 -0.35 121.20 122.87 1hl5 s ILE 151 Ca 0.33 1.30 0.08 0.00 0.00 0.00 0.00 60.65 62.36 1hl5 s ILE 151 Cb -0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1hl5 s ILE 151 CO 0.18 0.17 0.05 0.00 0.00 0.00 0.00 174.94 175.34 1hl5 s ALA 152 N 0.39 3.28 -2.00 9.38 0.00 -0.59 -4.77 121.76 127.46 1hl5 s ALA 152 Ca 0.56 -1.51 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1hl5 s ALA 152 Cb -0.32 -0.97 1.57 0.00 0.00 0.00 0.00 23.12 23.40 1hl5 s ALA 152 CO 0.34 0.33 1.93 0.94 0.00 0.00 0.00 175.76 179.29