#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 0.11 0.04 0.00 -1.32 -0.13 -5.00 115.64 109.34 1hl5 s THR 2 Ca 0.00 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1hl5 s THR 2 Cb 0.00 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1hl5 s THR 2 CO 0.00 -0.50 -0.08 -0.54 -2.21 0.00 0.00 174.62 171.29 1hl5 s LYS 3 N -2.71 0.53 0.17 7.08 1.02 -1.26 -0.80 119.74 123.77 1hl5 s LYS 3 Ca -0.04 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 1hl5 s LYS 3 Cb -0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1hl5 s LYS 3 CO -0.05 0.06 0.22 0.00 -0.92 0.00 0.00 175.35 174.67 1hl5 s ALA 4 N -1.21 0.39 0.07 5.17 0.00 -0.07 -1.53 121.76 124.58 1hl5 s ALA 4 Ca -0.08 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 1hl5 s ALA 4 Cb -0.09 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1hl5 s ALA 4 CO 0.00 -0.62 0.34 0.54 0.00 0.00 0.00 175.76 176.02 1hl5 s VAL 5 N -4.02 0.08 -0.07 0.00 0.11 0.20 -0.80 120.40 115.89 1hl5 s VAL 5 Ca 0.23 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1hl5 s VAL 5 Cb 0.05 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1hl5 s VAL 5 CO 0.03 -0.37 0.16 0.00 -3.33 0.00 0.00 175.10 171.60 1hl5 s VAL 7 N 1.20 4.98 -0.18 0.00 1.01 -1.26 -1.15 120.40 125.01 1hl5 s VAL 7 Ca -0.09 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1hl5 s VAL 7 Cb -0.11 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1hl5 s VAL 7 CO -0.06 0.28 0.41 -0.76 0.00 0.00 0.00 175.10 174.96 1hl5 s LEU 8 N 1.71 4.20 0.05 3.92 1.43 0.60 -3.97 118.68 126.61 1hl5 s LEU 8 Ca 0.07 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1hl5 s LEU 8 Cb -0.16 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1hl5 s LEU 8 CO 0.09 -0.04 -0.04 -0.54 0.23 0.00 0.00 176.35 176.05 1hl5 s LYS 9 N 1.04 0.57 0.00 1.70 1.02 -0.54 -1.65 119.74 121.88 1hl5 s LYS 9 Ca 0.20 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1hl5 s LYS 9 Cb -0.15 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1hl5 s LYS 9 CO 0.08 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1hl5 n GLY 10 N 0.43 3.70 0.08 -3.33 0.00 -1.24 -1.36 105.19 103.47 1hl5 n GLY 10 Ca -0.16 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.61 3.32 -1.91 -3.48 116.42 115.97 1hl5 h ASP 11 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1hl5 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1hl5 h ASP 11 CO 0.00 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1hl5 n GLY 12 N 1.31 5.07 0.03 2.75 0.00 -1.26 -5.02 105.19 108.07 1hl5 n GLY 12 Ca 0.04 -1.77 0.15 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 0.50 -2.63 1.61 -0.04 -1.26 -4.88 135.00 128.30 1hl5 n PRO 13 Ca 0.00 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 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 -2.54 4.66 -0.02 0.52 1.01 -1.26 -4.20 120.40 118.56 1hl5 s VAL 14 Ca 0.29 1.94 -0.13 0.00 0.00 0.00 0.00 61.98 64.07 1hl5 s VAL 14 Cb 0.20 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1hl5 s VAL 14 CO 0.47 -0.01 0.29 0.00 0.00 0.00 0.00 175.10 175.85 1hl5 s GLN 15 N 2.13 0.62 0.27 2.72 -2.07 -0.79 -3.73 119.66 118.81 1hl5 s GLN 15 Ca 0.50 -0.16 -0.20 0.00 -1.82 0.00 0.00 55.36 53.67 1hl5 s GLN 15 Cb -0.20 0.27 0.06 0.00 -1.09 0.00 0.00 33.01 32.05 1hl5 s GLN 15 CO 0.18 -0.16 0.88 0.20 -1.32 0.00 0.00 175.29 175.07 1hl5 s GLY 16 N -1.20 0.13 -0.04 2.60 0.00 -0.66 -0.06 107.32 108.08 1hl5 s GLY 16 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1hl5 s GLY 16 CO 0.04 0.56 -0.01 -0.42 0.00 0.00 0.00 173.10 173.27 1hl5 s ILE 17 N -2.68 0.28 -0.07 0.90 1.01 -0.72 -0.29 121.20 119.64 1hl5 s ILE 17 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.89 1hl5 s ILE 17 Cb -0.04 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1hl5 s ILE 17 CO 0.07 0.18 -0.14 -0.63 0.00 0.00 0.00 174.94 174.42 1hl5 s ILE 18 N 1.13 1.29 0.07 2.92 -1.09 -0.30 -1.88 121.20 123.35 1hl5 s ILE 18 Ca -0.08 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1hl5 s ILE 18 Cb -0.14 -1.16 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1hl5 s ILE 18 CO -0.02 0.39 0.05 0.20 -1.23 0.00 0.00 174.94 174.33 1hl5 s ASN 19 N 0.52 5.34 -0.03 3.58 -0.87 0.11 -0.40 114.94 123.19 1hl5 s ASN 19 Ca -0.13 -0.06 0.04 0.00 -1.57 0.00 0.00 52.86 51.14 1hl5 s ASN 19 Cb -0.15 -1.39 -0.00 0.00 -0.02 0.00 0.00 41.25 39.69 1hl5 s ASN 19 CO 0.04 0.19 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.25 1hl5 s PHE 20 N -1.33 1.42 -0.01 2.20 0.40 0.02 -1.31 117.98 119.36 1hl5 s PHE 20 Ca 0.27 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1hl5 s PHE 20 Cb -0.12 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.47 1hl5 s PHE 20 CO 0.20 -0.11 0.02 -2.00 0.70 0.00 0.00 175.22 174.03 1hl5 s GLU 21 N -0.02 -0.02 -0.14 0.44 2.12 -0.36 -0.89 118.70 119.83 1hl5 s GLU 21 Ca -0.01 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.42 1hl5 s GLU 21 Cb -0.09 -0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.21 1hl5 s GLU 21 CO 0.01 -0.09 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.47 1hl5 s GLN 22 N 0.58 1.15 0.11 4.30 0.74 0.02 -0.53 119.66 126.04 1hl5 s GLN 22 Ca -0.05 -0.34 -0.09 0.00 0.05 0.00 0.00 55.36 54.93 1hl5 s GLN 22 Cb -0.07 -1.75 -0.14 0.00 1.10 0.00 0.00 33.01 32.15 1hl5 s GLN 22 CO -0.02 -0.42 1.27 0.87 -0.55 0.00 0.00 175.29 176.45 1hl5 h LYS 23 N 8.19 0.59 -4.97 1.67 1.57 -1.84 -0.31 116.57 121.47 1hl5 h LYS 23 Ca -0.23 -0.59 -0.39 0.00 -1.87 0.00 0.00 60.65 57.57 1hl5 h LYS 23 Cb 1.12 0.16 -0.25 0.00 0.08 0.00 0.00 32.23 33.34 1hl5 h LYS 23 CO 0.36 1.21 -0.77 -1.21 -0.57 0.00 0.00 179.45 178.46 1hl5 s GLU 24 N -3.41 0.76 -0.00 3.15 2.02 -1.26 -3.47 118.70 116.49 1hl5 s GLU 24 Ca -0.08 -0.64 -0.38 0.00 0.02 0.00 0.00 54.97 53.89 1hl5 s GLU 24 Cb 0.08 -0.72 -0.17 0.00 0.10 0.00 0.00 34.13 33.42 1hl5 s GLU 24 CO 0.89 0.18 1.35 0.45 0.02 0.00 0.00 175.26 178.15 1hl5 n SER 25 N 2.05 1.40 0.00 -0.19 2.88 -1.26 0.74 113.62 119.24 1hl5 n SER 25 Ca -0.18 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1hl5 n SER 25 Cb 0.55 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1hl5 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1hl5 n ASN 26 N 2.76 -5.39 -4.51 -3.46 4.05 -1.26 -4.96 115.26 102.49 1hl5 n ASN 26 Ca 0.20 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.95 1hl5 n ASN 26 Cb 0.15 -3.28 0.13 0.00 1.23 0.00 0.00 39.78 38.02 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1hl5 s GLY 27 N -2.00 1.72 0.60 8.20 0.00 0.23 -5.02 107.32 111.05 1hl5 s GLY 27 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 1hl5 s GLY 27 CO 0.00 -0.49 1.27 -4.14 0.00 0.00 0.00 173.10 169.74 1hl5 s PRO 28 N -5.61 2.84 -0.16 2.90 0.02 -1.26 -4.85 135.00 128.88 1hl5 s PRO 28 Ca 0.68 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 63.66 1hl5 s PRO 28 Cb -0.07 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1hl5 s PRO 28 CO 0.49 -1.36 -0.04 0.08 -0.33 0.00 0.00 177.00 175.85 1hl5 s VAL 29 N -1.45 3.79 -0.12 3.83 1.01 0.26 -4.17 120.40 123.56 1hl5 s VAL 29 Ca 0.78 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1hl5 s VAL 29 Cb -0.35 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1hl5 s VAL 29 CO 0.38 0.48 0.44 -0.54 0.00 0.00 0.00 175.10 175.87 1hl5 s LYS 30 N 0.53 4.30 -0.16 2.72 1.02 0.32 -1.35 119.74 127.11 1hl5 s LYS 30 Ca -0.03 0.39 0.01 0.00 0.02 0.00 0.00 55.97 56.35 1hl5 s LYS 30 Cb -0.14 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1hl5 s LYS 30 CO 0.03 0.21 -0.15 0.14 -0.92 0.00 0.00 175.35 174.66 1hl5 s VAL 31 N 0.46 1.73 0.02 3.17 -7.23 0.54 -1.22 120.40 117.87 1hl5 s VAL 31 Ca 0.24 -0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 1hl5 s VAL 31 Cb -0.15 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.20 1hl5 s VAL 31 CO 0.09 0.44 0.38 -1.66 -0.31 0.00 0.00 175.10 174.05 1hl5 s TRP 32 N 1.41 -0.24 -3.92 2.82 -2.14 -0.43 -0.22 118.94 116.23 1hl5 s TRP 32 Ca 0.04 0.26 0.00 0.00 2.66 0.00 0.00 56.10 59.06 1hl5 s TRP 32 Cb -0.13 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 1hl5 s TRP 32 CO -0.11 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1hl5 n GLY 33 N 0.80 -0.54 3.05 3.67 0.00 -0.65 0.06 105.19 111.58 1hl5 n GLY 33 Ca -0.20 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.15 -0.04 1.61 0.15 -0.79 -0.19 113.70 110.29 1hl5 s SER 34 Ca 0.00 0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.96 1hl5 s SER 34 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1hl5 s SER 34 CO 0.00 -0.09 -0.13 -0.63 1.20 0.00 0.00 173.24 173.59 1hl5 s ILE 35 N -0.08 1.11 0.39 6.45 1.01 -0.28 -1.75 121.20 128.05 1hl5 s ILE 35 Ca -0.02 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1hl5 s ILE 35 Cb -0.02 -0.97 -0.08 0.00 0.01 0.00 0.00 42.46 41.40 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 0.17 1.89 0.00 2.79 -2.85 0.91 -0.45 119.74 122.20 1hl5 s LYS 36 Ca -0.05 -2.06 0.00 0.00 -1.00 0.00 0.00 55.97 52.87 1hl5 s LYS 36 Cb -0.11 -1.51 0.00 0.00 -2.06 0.00 0.00 37.83 34.15 1hl5 s LYS 36 CO 0.02 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.82 1hl5 n GLY 37 N -0.90 0.65 3.91 0.59 0.00 -0.77 -1.88 105.19 106.78 1hl5 n GLY 37 Ca -0.05 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 3.93 0.41 0.99 1.43 -0.34 -4.30 118.68 120.79 1hl5 s LEU 38 Ca 0.00 0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 1hl5 s LEU 38 Cb 0.00 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 1hl5 s LEU 38 CO 0.00 -0.33 1.13 0.42 0.23 0.00 0.00 176.35 177.80 1hl5 s THR 39 N -2.32 3.32 0.23 5.49 -4.23 -1.26 -3.94 115.64 112.94 1hl5 s THR 39 Ca 0.44 1.06 -0.32 0.00 -1.18 0.00 0.00 61.69 61.70 1hl5 s THR 39 Cb -0.10 -3.57 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 1hl5 s THR 39 CO 0.35 0.05 1.50 1.21 -0.54 0.00 0.00 174.62 177.19 1hl5 n GLU 40 N -0.06 2.25 0.00 3.99 2.13 -1.26 -4.61 120.64 123.09 1hl5 n GLU 40 Ca 0.05 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1hl5 n GLU 40 Cb 0.48 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1hl5 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl5 n GLY 41 N 2.52 0.47 3.80 8.31 0.00 -0.41 -4.92 105.19 114.96 1hl5 n GLY 41 Ca 0.12 -2.25 -0.37 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 4.43 -0.02 0.99 1.02 -1.26 -0.47 118.68 123.37 1hl5 s LEU 42 Ca 0.00 1.48 0.01 0.00 0.02 0.00 0.00 54.13 55.64 1hl5 s LEU 42 Cb 0.00 -3.46 0.02 0.00 0.02 0.00 0.00 46.19 42.77 1hl5 s LEU 42 CO 0.00 0.10 -0.01 -1.00 0.02 0.00 0.00 176.35 175.46 1hl5 s HIS 43 N -1.39 0.31 0.64 0.29 3.76 -0.38 -2.87 115.29 115.65 1hl5 s HIS 43 Ca 0.40 -0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 55.12 1hl5 s HIS 43 Cb -0.19 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 1hl5 s HIS 43 CO 0.22 -0.10 1.19 0.20 -0.85 0.00 0.00 174.74 175.41 1hl5 s GLY 44 N 0.72 2.55 -0.16 -2.22 0.00 0.18 -1.23 107.32 107.16 1hl5 s GLY 44 Ca -0.07 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 1hl5 s GLY 44 CO -0.01 1.29 0.22 -0.12 0.00 0.00 0.00 173.10 174.48 1hl5 s PHE 45 N -1.80 -0.30 0.05 1.90 5.36 0.13 -0.78 117.98 122.54 1hl5 s PHE 45 Ca 0.75 0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 57.15 1hl5 s PHE 45 Cb -0.28 -0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1hl5 s PHE 45 CO 0.37 -0.48 0.09 -1.01 -1.46 0.00 0.00 175.22 172.73 1hl5 s HIS 46 N 2.34 0.24 -0.27 10.12 3.76 -0.72 -2.69 115.29 128.07 1hl5 s HIS 46 Ca 0.05 -0.59 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 1hl5 s HIS 46 Cb -0.14 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 1hl5 s HIS 46 CO -0.10 -0.39 0.47 0.08 -0.85 0.00 0.00 174.74 173.94 1hl5 s VAL 47 N -2.98 5.10 0.38 -0.90 1.01 0.10 -1.19 120.40 121.92 1hl5 s VAL 47 Ca -0.02 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1hl5 s VAL 47 Cb 0.01 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1hl5 s VAL 47 CO -0.06 0.08 0.59 -1.00 0.00 0.00 0.00 175.10 174.71 1hl5 s HIS 48 N 2.24 3.43 0.12 5.22 3.76 0.15 -1.38 115.29 128.84 1hl5 s HIS 48 Ca 0.19 0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 55.27 1hl5 s HIS 48 Cb -0.16 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 1hl5 s HIS 48 CO 0.10 -0.01 1.65 1.49 -0.85 0.00 0.00 174.74 177.12 1hl5 h GLU 49 N 0.64 0.52 -5.86 1.40 4.81 -0.40 -2.55 114.58 113.15 1hl5 h GLU 49 Ca -0.49 -0.10 -0.67 0.00 -0.13 0.00 0.00 59.36 57.97 1hl5 h GLU 49 Cb 1.23 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 1hl5 h GLU 49 CO 0.60 0.53 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.74 1hl5 s PHE 50 N -5.47 3.19 -0.54 0.92 0.08 -0.21 -4.64 117.98 111.30 1hl5 s PHE 50 Ca -0.13 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 1hl5 s PHE 50 Cb 0.09 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1hl5 s PHE 50 CO 0.74 0.43 2.91 0.41 -0.10 0.00 0.00 175.22 179.61 1hl5 n GLY 51 N 2.33 4.19 3.10 4.36 0.00 -1.03 -3.65 105.19 114.49 1hl5 n GLY 51 Ca -0.18 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 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 0.79 4.72 -0.16 1.61 -1.08 -1.26 -4.95 116.67 116.33 1hl5 s ASP 52 Ca 0.60 -1.56 0.16 0.00 -0.52 0.00 0.00 52.55 51.23 1hl5 s ASP 52 Cb 0.33 -1.64 0.60 0.00 -1.46 0.00 0.00 42.92 40.75 1hl5 s ASP 52 CO -0.15 -0.28 1.51 -3.20 0.52 0.00 0.00 175.17 173.57 1hl5 n ASN 53 N 4.47 4.32 0.26 -0.34 2.85 -1.26 -3.10 115.26 122.46 1hl5 n ASN 53 Ca -0.09 -2.79 0.11 0.00 -0.11 0.00 0.00 54.58 51.70 1hl5 n ASN 53 Cb 0.42 -0.54 0.71 0.00 1.24 0.00 0.00 39.78 41.61 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1hl5 h THR 54 N 2.67 0.77 -0.85 -0.44 1.35 -1.92 -1.74 112.91 112.75 1hl5 h THR 54 Ca 0.00 -0.34 -0.59 0.00 -0.55 0.00 0.00 66.41 64.93 1hl5 h THR 54 Cb 1.48 1.20 -0.39 0.00 -1.73 0.00 0.00 68.15 68.71 1hl5 h THR 54 CO 0.26 0.09 -0.30 0.00 -0.25 0.00 0.00 175.52 175.31 1hl5 n ALA 55 N -2.39 5.42 -0.86 6.62 0.00 -1.26 -5.04 120.51 123.00 1hl5 n ALA 55 Ca -0.02 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1hl5 n ALA 55 Cb 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.77 2.04 0.27 0.00 0.00 -0.66 -2.40 105.19 103.68 1hl5 n GLY 56 Ca 0.50 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 0.11 -0.24 0.00 1.35 -1.81 -2.69 112.91 109.64 1hl5 h THR 58 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1hl5 h THR 58 Cb 0.36 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1hl5 h THR 58 CO 0.00 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 173.76 1hl5 n SER 59 N -3.17 2.29 0.00 5.36 3.41 -1.19 -4.30 113.62 116.01 1hl5 n SER 59 Ca -0.00 -1.82 0.06 0.00 -0.26 0.00 0.00 58.87 56.84 1hl5 n SER 59 Cb 0.27 -0.15 0.25 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.74 1.56 -0.11 7.33 0.00 -1.01 -4.49 120.51 124.52 1hl5 n ALA 60 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1hl5 n ALA 60 Cb 0.43 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.31 -2.00 1.49 0.00 0.00 -1.26 -1.05 105.19 102.06 1hl5 n GLY 61 Ca 0.03 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.27 -0.34 -1.94 1.61 -0.04 -1.26 -4.58 135.00 128.18 1hl5 n PRO 62 Ca 0.00 -0.84 -0.40 0.00 -0.04 0.00 0.00 63.50 62.21 1hl5 n PRO 62 Cb 0.00 -0.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.91 2.73 0.02 0.54 3.76 -1.26 -0.20 115.29 118.96 1hl5 s HIS 63 Ca 0.28 1.30 -0.30 0.00 -0.15 0.00 0.00 55.06 56.20 1hl5 s HIS 63 Cb -0.01 -3.84 -0.08 0.00 1.11 0.00 0.00 32.58 29.76 1hl5 s HIS 63 CO 0.20 -2.50 1.90 0.12 -0.85 0.00 0.00 174.74 173.61 1hl5 s PHE 64 N -1.17 1.43 -0.41 1.40 5.36 -0.48 -4.51 117.98 119.61 1hl5 s PHE 64 Ca 0.54 -0.32 0.09 0.00 -0.96 0.00 0.00 56.93 56.28 1hl5 s PHE 64 Cb -0.42 -4.18 0.32 0.00 -0.34 0.00 0.00 43.02 38.40 1hl5 s PHE 64 CO 0.56 -5.21 0.83 -1.71 -1.46 0.00 0.00 175.22 168.24 1hl5 n ASN 65 N 7.44 -0.56 0.19 6.13 5.15 -1.26 -1.30 115.26 131.04 1hl5 n ASN 65 Ca 0.19 -3.20 0.14 0.00 -0.60 0.00 0.00 54.58 51.11 1hl5 n ASN 65 Cb 0.41 0.37 0.63 0.00 -0.53 0.00 0.00 39.78 40.67 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 3.23 0.00 -0.63 1.20 0.13 -1.92 -2.01 132.00 131.99 1hl5 h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1hl5 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1hl5 h PRO 66 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 1hl5 n LEU 67 N -2.47 4.02 -3.83 1.56 4.77 -1.26 -4.98 117.00 114.81 1hl5 n LEU 67 Ca 0.00 -2.16 -0.25 0.00 -0.03 0.00 0.00 56.01 53.57 1hl5 n LEU 67 Cb 0.16 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1hl5 n LEU 67 CO 0.18 0.89 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.87 1hl5 n SER 68 N 1.24 -1.99 -4.99 -1.43 7.64 -0.76 -4.99 113.62 108.34 1hl5 n SER 68 Ca 0.23 -0.86 -0.21 0.00 1.01 0.00 0.00 58.87 59.04 1hl5 n SER 68 Cb 0.68 -3.75 0.03 0.00 -1.01 0.00 0.00 64.21 60.16 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 -6.30 2.39 0.53 1.43 1.81 -1.26 -5.12 118.95 112.42 1hl5 s ARG 69 Ca 0.20 -1.66 -0.00 0.00 -1.72 0.00 0.00 55.73 52.55 1hl5 s ARG 69 Cb -0.10 -2.52 0.02 0.00 -0.45 0.00 0.00 34.95 31.89 1hl5 s ARG 69 CO 0.84 -0.67 0.77 0.15 -0.68 0.00 0.00 175.30 175.70 1hl5 s LYS 70 N -4.50 2.73 0.26 3.54 1.02 -1.26 -4.75 119.74 116.78 1hl5 s LYS 70 Ca 0.54 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 1hl5 s LYS 70 Cb -0.05 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 1hl5 s LYS 70 CO 0.33 -0.60 1.24 -1.58 -0.92 0.00 0.00 175.35 173.83 1hl5 s HIS 71 N -2.75 3.29 0.06 3.18 5.65 -0.07 -3.23 115.29 121.43 1hl5 s HIS 71 Ca 0.54 1.43 -0.01 0.00 0.25 0.00 0.00 55.06 57.27 1hl5 s HIS 71 Cb -0.10 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1hl5 s HIS 71 CO 0.39 -1.45 0.09 0.41 -0.65 0.00 0.00 174.74 173.53 1hl5 n GLY 72 N 1.56 2.77 3.93 1.59 0.00 -1.25 -4.41 105.19 109.38 1hl5 n GLY 72 Ca 0.02 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.36 1.57 0.57 -0.02 0.00 -1.25 -4.75 107.32 102.08 1hl5 s GLY 73 Ca 0.04 -0.78 0.31 0.00 0.00 0.00 0.00 44.72 44.30 1hl5 s GLY 73 CO 0.03 -0.56 2.17 -0.56 0.00 0.00 0.00 173.10 174.18 1hl5 h PRO 74 N 0.09 0.00 -0.00 2.90 0.13 -1.86 -1.55 132.00 131.70 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 0.60 0.06 -0.18 1.63 -0.23 0.00 0.00 178.00 179.88 1hl5 n LYS 75 N -3.58 0.24 -3.10 0.86 5.02 -1.26 -4.88 118.16 111.46 1hl5 n LYS 75 Ca -0.02 -0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 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 -2.82 6.96 0.18 4.39 1.01 -0.59 -4.97 116.67 120.85 1hl5 s ASP 76 Ca 0.18 1.38 -0.09 0.00 0.71 0.00 0.00 52.55 54.73 1hl5 s ASP 76 Cb 0.19 -2.41 0.07 0.00 1.01 0.00 0.00 42.92 41.78 1hl5 s ASP 76 CO 0.56 -0.06 1.65 -0.08 0.21 0.00 0.00 175.17 177.45 1hl5 h GLU 77 N 3.00 1.08 -5.48 8.23 4.22 -1.90 -3.37 114.58 120.35 1hl5 h GLU 77 Ca -0.48 -0.33 -0.63 0.00 0.08 0.00 0.00 59.36 58.00 1hl5 h GLU 77 Cb 1.19 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 1hl5 h GLU 77 CO 0.65 1.04 0.45 -2.00 -2.18 0.00 0.00 179.01 176.97 1hl5 s GLU 78 N -5.07 3.19 0.21 1.92 2.56 -1.26 -4.98 118.70 115.27 1hl5 s GLU 78 Ca -0.12 -0.66 -0.20 0.00 0.00 0.00 0.00 54.97 53.99 1hl5 s GLU 78 Cb 0.14 -4.15 0.04 0.00 2.00 0.00 0.00 34.13 32.16 1hl5 s GLU 78 CO 0.86 -1.59 0.60 -0.98 -0.56 0.00 0.00 175.26 173.58 1hl5 s ARG 79 N 3.74 1.46 0.46 4.30 1.70 -1.21 -3.77 118.95 125.62 1hl5 s ARG 79 Ca 0.23 -0.77 -0.20 0.00 -0.47 0.00 0.00 55.73 54.52 1hl5 s ARG 79 Cb -0.16 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1hl5 s ARG 79 CO 0.13 -0.64 0.97 -1.01 -1.08 0.00 0.00 175.30 173.67 1hl5 s HIS 80 N -3.85 3.34 0.26 5.89 3.76 -1.20 -4.66 115.29 118.84 1hl5 s HIS 80 Ca 0.07 1.56 -0.01 0.00 -0.15 0.00 0.00 55.06 56.53 1hl5 s HIS 80 Cb -0.02 -2.84 0.50 0.00 1.11 0.00 0.00 32.58 31.32 1hl5 s HIS 80 CO -0.03 -0.23 1.80 0.28 -0.85 0.00 0.00 174.74 175.71 1hl5 h VAL 81 N 1.57 0.86 0.00 -0.90 2.07 -1.85 -1.38 116.25 116.63 1hl5 h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl5 h VAL 81 Cb 1.18 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1hl5 h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1hl5 n GLY 82 N -1.33 -0.84 3.55 2.17 0.00 -0.42 -4.42 105.19 103.89 1hl5 n GLY 82 Ca 0.17 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.56 6.39 -0.07 1.61 1.01 -0.52 -0.72 116.67 122.82 1hl5 s ASP 83 Ca 0.19 -1.16 0.20 0.00 0.71 0.00 0.00 52.55 52.49 1hl5 s ASP 83 Cb 0.09 -2.55 0.71 0.00 1.01 0.00 0.00 42.92 42.17 1hl5 s ASP 83 CO 0.15 -1.58 1.61 0.18 0.21 0.00 0.00 175.17 175.73 1hl5 n LEU 84 N 8.85 4.49 0.00 1.23 4.77 -1.10 -3.46 117.00 131.78 1hl5 n LEU 84 Ca 0.22 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1hl5 n LEU 84 Cb 0.50 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1hl5 n LEU 84 CO 0.66 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1hl5 n GLY 85 N 1.39 0.75 3.49 -0.72 0.00 -1.21 -4.79 105.19 104.10 1hl5 n GLY 85 Ca 0.26 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 3.85 0.35 1.61 0.01 -1.26 -0.69 114.94 114.80 1hl5 s ASN 86 Ca 0.00 -0.70 0.08 0.00 -0.71 0.00 0.00 52.86 51.53 1hl5 s ASN 86 Cb 0.00 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 1hl5 s ASN 86 CO 0.00 0.12 0.17 0.68 -1.51 0.00 0.00 177.10 176.56 1hl5 s VAL 87 N -1.59 2.94 -0.15 1.60 -7.23 -0.36 -4.91 120.40 110.70 1hl5 s VAL 87 Ca 0.22 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1hl5 s VAL 87 Cb -0.09 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.88 1hl5 s VAL 87 CO 0.12 -0.15 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.71 1hl5 s THR 88 N -2.44 1.74 -0.01 5.32 2.01 -1.26 -1.25 115.64 119.74 1hl5 s THR 88 Ca 0.39 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 1hl5 s THR 88 Cb -0.02 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 1hl5 s THR 88 CO 0.23 0.49 0.41 0.00 -0.69 0.00 0.00 174.62 175.06 1hl5 s ALA 89 N 1.36 3.67 0.90 7.40 0.00 0.38 -4.15 121.76 131.33 1hl5 s ALA 89 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1hl5 s ALA 89 Cb -0.13 -2.41 0.11 0.00 0.00 0.00 0.00 23.12 20.69 1hl5 s ALA 89 CO -0.10 0.42 0.67 -0.40 0.00 0.00 0.00 175.76 176.35 1hl5 n ASP 90 N 2.04 0.21 0.18 0.00 5.68 0.28 -1.29 116.55 123.65 1hl5 n ASP 90 Ca -0.13 -1.34 0.13 0.00 -0.50 0.00 0.00 54.79 52.95 1hl5 n ASP 90 Cb 0.52 -0.50 0.70 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.08 0.11 2.10 -1.97 -0.82 116.57 115.91 1hl5 h LYS 91 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1hl5 h LYS 91 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1hl5 h LYS 91 CO 0.17 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1hl5 n ASP 92 N -4.33 0.92 0.00 7.07 8.00 -1.26 -4.84 116.55 122.10 1hl5 n ASP 92 Ca 0.01 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 53.97 1hl5 n ASP 92 Cb 0.27 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.00 0.62 3.50 0.44 0.00 -0.31 -4.71 105.19 105.73 1hl5 n GLY 93 Ca 0.16 -0.23 -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 4.21 -0.38 1.61 1.01 -1.26 -1.20 120.40 122.38 1hl5 s VAL 94 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1hl5 s VAL 94 Cb 0.00 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.52 1hl5 s VAL 94 CO 0.00 0.43 0.22 0.00 0.00 0.00 0.00 175.10 175.75 1hl5 s ALA 95 N 0.83 3.28 -0.34 5.51 0.00 0.40 -0.56 121.76 130.88 1hl5 s ALA 95 Ca 0.01 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1hl5 s ALA 95 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1hl5 s ALA 95 CO 0.02 -1.43 0.88 -0.51 0.00 0.00 0.00 175.76 174.72 1hl5 s ASP 96 N 1.64 6.69 -0.15 0.00 -0.00 -1.26 -1.13 116.67 122.47 1hl5 s ASP 96 Ca 0.02 0.65 -0.09 0.00 -0.00 0.00 0.00 52.55 53.13 1hl5 s ASP 96 Cb -0.20 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.92 40.23 1hl5 s ASP 96 CO 0.06 -0.77 0.15 -0.69 -0.00 0.00 0.00 175.17 173.93 1hl5 s VAL 97 N 3.28 5.44 -0.28 -1.27 1.01 0.73 -4.78 120.40 124.53 1hl5 s VAL 97 Ca 0.36 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1hl5 s VAL 97 Cb -0.13 -3.45 0.16 0.00 0.00 0.00 0.00 36.38 32.96 1hl5 s VAL 97 CO 0.16 0.53 0.49 -0.55 0.00 0.00 0.00 175.10 175.73 1hl5 s SER 98 N -0.36 -0.58 0.05 3.32 0.15 -1.25 -1.63 113.70 113.40 1hl5 s SER 98 Ca 0.12 0.44 0.04 0.00 0.70 0.00 0.00 55.95 57.25 1hl5 s SER 98 Cb -0.12 1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 65.80 1hl5 s SER 98 CO 0.02 -0.29 -0.11 -0.63 1.20 0.00 0.00 173.24 173.43 1hl5 s ILE 99 N 2.70 0.81 -0.08 6.45 1.01 0.70 -4.99 121.20 127.79 1hl5 s ILE 99 Ca 0.16 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1hl5 s ILE 99 Cb -0.15 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 1hl5 s ILE 99 CO -0.20 -0.24 -0.24 -0.70 0.00 0.00 0.00 174.94 173.56 1hl5 s GLU 100 N -1.46 2.80 -0.02 2.79 2.12 -1.26 -0.34 118.70 123.33 1hl5 s GLU 100 Ca -0.05 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 1hl5 s GLU 100 Cb -0.09 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.09 1hl5 s GLU 100 CO 0.01 0.26 0.04 0.34 -0.54 0.00 0.00 175.26 175.38 1hl5 s ASP 101 N 0.13 -0.03 0.00 -1.70 2.15 -0.45 -4.96 116.67 111.81 1hl5 s ASP 101 Ca -0.12 0.08 0.14 0.00 0.43 0.00 0.00 52.55 53.08 1hl5 s ASP 101 Cb -0.16 0.07 0.18 0.00 -0.30 0.00 0.00 42.92 42.70 1hl5 s ASP 101 CO 0.07 -0.03 1.04 -1.20 -0.17 0.00 0.00 175.17 174.88 1hl5 n SER 102 N 3.21 2.42 -0.08 -0.34 7.64 -1.26 -0.57 113.62 124.64 1hl5 n SER 102 Ca -0.14 -1.69 -0.23 0.00 1.01 0.00 0.00 58.87 57.82 1hl5 n SER 102 Cb 0.58 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.80 1.60 -1.15 0.44 0.31 -1.26 -4.88 118.33 114.19 1hl5 n VAL 103 Ca 0.10 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 1hl5 n VAL 103 Cb 0.38 -1.77 0.15 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.49 2.50 0.08 2.52 -4.36 -1.26 -4.87 121.20 113.32 1hl5 s ILE 104 Ca -0.30 0.16 -0.19 0.00 -0.26 0.00 0.00 60.65 60.06 1hl5 s ILE 104 Cb 0.09 -2.61 0.04 0.00 1.25 0.00 0.00 42.46 41.23 1hl5 s ILE 104 CO 0.63 -0.21 0.45 -0.55 0.24 0.00 0.00 174.94 175.49 1hl5 s SER 105 N -3.35 -0.32 0.00 4.36 0.15 -1.04 -4.72 113.70 108.77 1hl5 s SER 105 Ca 0.64 -0.06 0.21 0.00 0.70 0.00 0.00 55.95 57.44 1hl5 s SER 105 Cb -0.19 0.47 0.58 0.00 -1.71 0.00 0.00 66.02 65.17 1hl5 s SER 105 CO 0.57 -0.76 1.49 0.18 1.20 0.00 0.00 173.24 175.93 1hl5 n LEU 106 N 0.19 3.58 -3.61 3.45 4.77 -1.26 -1.34 117.00 122.78 1hl5 n LEU 106 Ca -0.18 -1.75 -0.11 0.00 -0.03 0.00 0.00 56.01 53.95 1hl5 n LEU 106 Cb 0.62 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1hl5 n LEU 106 CO 0.18 0.87 0.19 -0.94 -1.33 0.00 0.00 177.39 176.37 1hl5 s SER 107 N -1.09 -0.28 0.00 -1.43 1.04 -1.26 -4.84 113.70 105.83 1hl5 s SER 107 Ca 0.44 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1hl5 s SER 107 Cb 0.24 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1hl5 s SER 107 CO 0.31 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1hl5 n GLY 108 N -0.19 -1.75 0.18 7.32 0.00 -1.26 -4.00 105.19 105.49 1hl5 n GLY 108 Ca -0.16 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.20 1hl5 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl5 h ASP 109 N 0.00 0.00 -0.58 1.61 3.58 -2.01 -2.85 116.42 116.17 1hl5 h ASP 109 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1hl5 h ASP 109 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1hl5 h ASP 109 CO 0.00 0.42 0.08 1.41 -2.88 0.00 0.00 179.24 178.27 1hl5 n HIS 110 N -3.76 2.03 -2.22 0.28 8.25 -1.26 -4.95 115.22 113.59 1hl5 n HIS 110 Ca -0.01 -0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 56.24 1hl5 n HIS 110 Cb 0.49 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 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 2.59 0.05 -1.77 0.00 -5.35 -0.45 -4.93 119.36 109.50 1hl5 n ILE 112 Ca 0.06 -0.52 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 1hl5 n ILE 112 Cb 0.43 1.25 -0.02 0.00 -1.74 0.00 0.00 39.64 39.56 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 -1.15 2.06 0.00 7.28 -1.09 -1.26 -1.77 121.20 125.27 1hl5 s ILE 113 Ca 0.17 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1hl5 s ILE 113 Cb 0.12 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1hl5 s ILE 113 CO 0.17 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1hl5 n GLY 114 N 2.58 0.98 2.76 6.18 0.00 0.63 -4.99 105.19 113.33 1hl5 n GLY 114 Ca 0.10 0.00 -0.14 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 -2.00 0.74 -4.90 1.61 1.74 -0.73 -2.45 116.66 110.66 1hl5 n ARG 115 Ca 0.00 -2.23 -0.33 0.00 -0.77 0.00 0.00 57.85 54.52 1hl5 n ARG 115 Cb 0.00 -0.13 -0.15 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.59 2.83 -0.08 0.55 2.01 -0.96 -0.91 115.64 117.49 1hl5 s THR 116 Ca 0.41 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1hl5 s THR 116 Cb -0.03 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1hl5 s THR 116 CO 0.26 0.55 0.37 -0.22 -0.69 0.00 0.00 174.62 174.89 1hl5 s LEU 117 N 0.11 4.36 -0.03 4.42 2.96 -0.48 0.33 118.68 130.36 1hl5 s LEU 117 Ca -0.07 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1hl5 s LEU 117 Cb -0.15 -2.52 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 1hl5 s LEU 117 CO 0.05 0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.45 1hl5 s VAL 118 N -0.29 1.16 -0.07 1.68 1.01 -0.33 -1.82 120.40 121.74 1hl5 s VAL 118 Ca 0.22 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1hl5 s VAL 118 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1hl5 s VAL 118 CO 0.10 0.34 -0.11 0.54 0.00 0.00 0.00 175.10 175.96 1hl5 s VAL 119 N 0.02 3.31 0.38 2.92 0.11 -0.63 -1.75 120.40 124.76 1hl5 s VAL 119 Ca -0.02 -0.62 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1hl5 s VAL 119 Cb -0.09 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1hl5 s VAL 119 CO 0.01 0.58 0.35 -1.00 -3.33 0.00 0.00 175.10 171.71 1hl5 s HIS 120 N -0.54 2.82 0.20 1.54 3.76 0.04 -0.97 115.29 122.14 1hl5 s HIS 120 Ca 0.08 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 1hl5 s HIS 120 Cb -0.12 -2.00 0.14 0.00 1.11 0.00 0.00 32.58 31.71 1hl5 s HIS 120 CO 0.02 0.01 1.80 1.49 -0.85 0.00 0.00 174.74 177.20 1hl5 h GLU 121 N 1.11 1.05 -5.48 1.40 4.81 -0.81 -3.38 114.58 113.29 1hl5 h GLU 121 Ca -0.43 -0.15 -0.60 0.00 -0.13 0.00 0.00 59.36 58.05 1hl5 h GLU 121 Cb 1.26 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 1hl5 h GLU 121 CO 0.57 0.82 -0.59 0.15 -0.73 0.00 0.00 179.01 179.23 1hl5 s LYS 122 N -5.73 1.92 0.40 1.92 1.02 -0.25 -4.92 119.74 114.10 1hl5 s LYS 122 Ca -0.13 -2.11 -0.26 0.00 0.02 0.00 0.00 55.97 53.50 1hl5 s LYS 122 Cb 0.15 -1.42 -0.08 0.00 -0.52 0.00 0.00 37.83 35.96 1hl5 s LYS 122 CO 0.81 -0.14 1.22 0.00 -0.92 0.00 0.00 175.35 176.32 1hl5 s ALA 123 N -2.88 3.20 -0.11 5.17 0.00 -1.14 -0.65 121.76 125.35 1hl5 s ALA 123 Ca 0.31 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1hl5 s ALA 123 Cb 0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1hl5 s ALA 123 CO 0.15 -0.65 1.12 0.34 0.00 0.00 0.00 175.76 176.73 1hl5 s ASP 124 N -0.96 7.11 0.00 0.00 -1.08 -1.26 -3.96 116.67 116.51 1hl5 s ASP 124 Ca 0.57 1.64 0.24 0.00 -0.52 0.00 0.00 52.55 54.48 1hl5 s ASP 124 Cb -0.34 -2.55 1.42 0.00 -1.46 0.00 0.00 42.92 39.99 1hl5 s ASP 124 CO 0.43 -0.58 1.84 -0.90 0.52 0.00 0.00 175.17 176.48 1hl5 n ASP 125 N 5.51 0.00 -2.17 -0.34 5.68 0.37 -4.87 116.55 120.73 1hl5 n ASP 125 Ca 0.11 -1.00 -0.19 0.00 -0.50 0.00 0.00 54.79 53.21 1hl5 n ASP 125 Cb 0.47 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.93 -1.86 0.00 -2.12 4.77 -1.26 -1.94 117.00 113.66 1hl5 n LEU 126 Ca 0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1hl5 n LEU 126 Cb 0.08 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 1hl5 n LEU 126 CO 0.13 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1hl5 n GLY 127 N -1.01 0.55 1.22 -0.72 0.00 -1.25 -3.82 105.19 100.16 1hl5 n GLY 127 Ca -0.23 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.88 3.52 0.00 1.61 5.02 -0.82 -4.60 118.16 120.01 1hl5 n LYS 128 Ca 0.00 -2.96 0.13 0.00 -2.02 0.00 0.00 58.31 53.46 1hl5 n LYS 128 Cb 0.00 -1.98 0.40 0.00 -0.02 0.00 0.00 35.03 33.42 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 -0.18 -0.77 2.20 0.72 0.00 -1.26 -4.96 105.19 100.94 1hl5 n GLY 129 Ca 0.24 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 1hl5 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hl5 n GLY 130 N 1.36 0.43 3.55 -0.02 0.00 -1.26 -4.96 105.19 104.28 1hl5 n GLY 130 Ca 0.11 -0.08 -0.25 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 -2.08 3.14 0.30 1.61 2.20 -1.26 -5.03 114.94 113.82 1hl5 s ASN 131 Ca 0.00 -1.42 0.06 0.00 -0.94 0.00 0.00 52.86 50.56 1hl5 s ASN 131 Cb 0.00 -0.10 0.49 0.00 -2.00 0.00 0.00 41.25 39.63 1hl5 s ASN 131 CO 0.00 -0.60 1.73 -0.08 -2.94 0.00 0.00 177.10 175.21 1hl5 h GLU 132 N 1.89 0.27 -0.19 3.55 4.57 -2.01 -2.54 114.58 120.12 1hl5 h GLU 132 Ca -0.42 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1hl5 h GLU 132 Cb 1.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1hl5 h GLU 132 CO 0.73 0.60 0.10 1.49 -1.18 0.00 0.00 179.01 180.75 1hl5 h GLU 133 N 0.23 0.25 -0.58 1.92 4.57 -1.99 -2.17 114.58 116.81 1hl5 h GLU 133 Ca 0.03 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1hl5 h GLU 133 Cb 0.75 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1hl5 h GLU 133 CO 0.06 0.19 0.31 1.03 -1.18 0.00 0.00 179.01 179.42 1hl5 h SER 134 N 0.26 0.72 0.16 1.04 0.87 -1.80 0.12 113.55 114.92 1hl5 h SER 134 Ca 0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1hl5 h SER 134 Cb 0.02 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1hl5 h SER 134 CO -0.01 0.59 -0.00 0.35 -0.53 0.00 0.00 176.83 177.23 1hl5 n THR 135 N -4.38 0.00 -0.05 2.23 -2.24 -0.82 -2.15 114.28 106.86 1hl5 n THR 135 Ca 0.05 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1hl5 n THR 135 Cb 0.11 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.04 0.22 0.00 -0.78 5.02 -0.46 -0.89 118.16 120.23 1hl5 n LYS 136 Ca 0.21 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1hl5 n LYS 136 Cb 0.15 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.09 -0.18 -2.24 -0.10 -4.68 114.28 102.56 1hl5 n THR 137 Ca -0.21 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.29 1hl5 n THR 137 Cb 0.65 1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 70.20 1hl5 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hl5 n GLY 138 N 0.16 0.59 2.93 3.38 0.00 -0.91 -3.37 105.19 107.97 1hl5 n GLY 138 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 0.22 -5.21 0.00 1.61 3.02 -1.25 -0.48 115.26 113.16 1hl5 n ASN 139 Ca -0.03 -0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1hl5 n ASN 139 Cb 0.19 -4.27 0.61 0.00 -0.61 0.00 0.00 39.78 35.70 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 -3.14 2.26 0.00 5.41 0.00 -1.22 -4.76 120.51 119.07 1hl5 n ALA 140 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1hl5 n ALA 140 Cb 0.61 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.08 -1.11 3.70 0.00 0.00 -1.26 -1.10 105.19 106.50 1hl5 n GLY 141 Ca 0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 3.13 -0.47 1.61 1.04 -1.26 -4.62 113.70 109.13 1hl5 s SER 142 Ca 0.00 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 57.67 1hl5 s SER 142 Cb 0.00 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 64.09 1hl5 s SER 142 CO 0.00 -2.84 0.45 -0.13 0.98 0.00 0.00 173.24 171.69 1hl5 s ARG 143 N -4.92 3.03 0.07 4.02 0.52 -1.26 -0.60 118.95 119.80 1hl5 s ARG 143 Ca 0.64 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1hl5 s ARG 143 Cb -0.18 -4.09 -0.29 0.00 0.52 0.00 0.00 34.95 30.91 1hl5 s ARG 143 CO 0.57 -1.02 1.12 -0.07 0.02 0.00 0.00 175.30 175.92 1hl5 h LEU 144 N 9.02 0.52 -7.29 2.53 3.38 -1.35 -3.48 115.31 118.65 1hl5 h LEU 144 Ca -0.28 -0.55 -0.07 0.00 0.09 0.00 0.00 57.88 57.08 1hl5 h LEU 144 Cb 1.11 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.53 1hl5 h LEU 144 CO 0.87 1.42 -0.03 0.00 0.09 0.00 0.00 178.44 180.79 1hl5 s ALA 145 N -2.67 -1.17 0.23 1.53 0.00 -1.17 -4.08 121.76 114.43 1hl5 s ALA 145 Ca -0.05 0.47 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 1hl5 s ALA 145 Cb 0.06 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1hl5 s ALA 145 CO 0.90 -0.48 0.66 0.00 0.00 0.00 0.00 175.76 176.84 1hl5 s GLY 147 N -2.86 -0.31 0.05 0.00 0.00 -0.76 -1.47 107.32 101.98 1hl5 s GLY 147 Ca 0.08 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.80 1hl5 s GLY 147 CO -0.01 0.06 0.63 0.14 0.00 0.00 0.00 173.10 173.92 1hl5 s VAL 148 N -3.57 4.75 -0.22 1.40 1.01 -1.26 -1.38 120.40 121.13 1hl5 s VAL 148 Ca 0.08 1.34 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 1hl5 s VAL 148 Cb -0.03 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1hl5 s VAL 148 CO -0.02 0.48 1.15 -0.63 0.00 0.00 0.00 175.10 176.08 1hl5 s ILE 149 N -0.64 4.47 0.19 2.22 1.01 -0.09 -4.53 121.20 123.84 1hl5 s ILE 149 Ca 0.32 1.77 0.10 0.00 0.00 0.00 0.00 60.65 62.83 1hl5 s ILE 149 Cb -0.20 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1hl5 s ILE 149 CO 0.20 -0.22 -0.14 -0.83 0.00 0.00 0.00 174.94 173.96 1hl5 s GLY 150 N 1.65 1.73 0.17 6.18 0.00 0.08 -0.27 107.32 116.86 1hl5 s GLY 150 Ca 0.49 -1.55 -0.31 0.00 0.00 0.00 0.00 44.72 43.36 1hl5 s GLY 150 CO 0.11 -1.57 1.47 -0.42 0.00 0.00 0.00 173.10 172.69 1hl5 s ILE 151 N -1.76 2.86 0.26 0.90 1.01 -1.26 -0.62 121.20 122.58 1hl5 s ILE 151 Ca 0.24 0.65 0.11 0.00 0.00 0.00 0.00 60.65 61.65 1hl5 s ILE 151 Cb -0.08 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1hl5 s ILE 151 CO 0.14 0.07 -0.12 0.00 0.00 0.00 0.00 174.94 175.03 1hl5 s ALA 152 N 0.77 2.91 -2.00 9.38 0.00 -0.58 -4.80 121.76 127.44 1hl5 s ALA 152 Ca 0.65 -1.73 0.13 0.00 0.00 0.00 0.00 51.96 51.01 1hl5 s ALA 152 Cb -0.41 -0.51 0.80 0.00 0.00 0.00 0.00 23.12 23.00 1hl5 s ALA 152 CO 0.34 0.31 1.23 0.94 0.00 0.00 0.00 175.76 178.58