#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 0.25 0.03 0.00 2.01 0.02 -5.01 115.64 112.94 1hl5 s THR 2 Ca 0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1hl5 s THR 2 Cb 0.00 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1hl5 s THR 2 CO 0.00 -0.47 -0.09 -0.54 -0.69 0.00 0.00 174.62 172.83 1hl5 s LYS 3 N -1.55 0.64 0.23 4.92 1.02 -1.26 -0.69 119.74 123.05 1hl5 s LYS 3 Ca -0.14 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1hl5 s LYS 3 Cb -0.10 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 1hl5 s LYS 3 CO -0.01 0.13 0.11 0.00 -0.92 0.00 0.00 175.35 174.67 1hl5 s ALA 4 N -0.81 1.44 0.07 5.17 0.00 -0.02 -1.61 121.76 126.00 1hl5 s ALA 4 Ca -0.02 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 1hl5 s ALA 4 Cb -0.07 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.27 1hl5 s ALA 4 CO 0.00 -0.52 0.30 0.54 0.00 0.00 0.00 175.76 176.08 1hl5 s VAL 5 N -3.95 0.09 -0.13 0.00 0.11 0.42 -0.88 120.40 116.06 1hl5 s VAL 5 Ca 0.38 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.60 1hl5 s VAL 5 Cb 0.07 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1hl5 s VAL 5 CO 0.13 -0.42 0.30 0.00 -3.33 0.00 0.00 175.10 171.77 1hl5 s VAL 7 N 1.31 5.28 -0.19 0.00 1.01 -1.26 -0.76 120.40 125.78 1hl5 s VAL 7 Ca -0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1hl5 s VAL 7 Cb -0.10 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1hl5 s VAL 7 CO -0.10 0.06 0.49 -0.76 0.00 0.00 0.00 175.10 174.80 1hl5 s LEU 8 N 1.78 4.16 0.06 3.92 1.43 0.36 -3.93 118.68 126.47 1hl5 s LEU 8 Ca 0.07 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1hl5 s LEU 8 Cb -0.17 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1hl5 s LEU 8 CO 0.11 -0.15 -0.00 -0.54 0.23 0.00 0.00 176.35 175.99 1hl5 s LYS 9 N 1.51 0.67 0.00 1.70 1.02 -0.53 -2.06 119.74 122.04 1hl5 s LYS 9 Ca 0.23 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.99 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 0.09 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1hl5 n GLY 10 N 0.07 2.97 0.05 -3.33 0.00 -1.25 -0.90 105.19 102.80 1hl5 n GLY 10 Ca -0.13 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.47 0.64 0.00 1.61 8.00 -1.26 -4.91 116.55 120.16 1hl5 n ASP 11 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1hl5 n ASP 11 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.37 4.83 0.10 0.44 0.00 -1.26 -5.03 105.19 105.64 1hl5 n GLY 12 Ca 0.04 -2.01 0.15 0.00 0.00 0.00 0.00 46.02 44.20 1hl5 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 13 N 0.00 1.13 -2.73 1.61 -0.04 -1.26 -4.88 135.00 128.84 1hl5 n PRO 13 Ca 0.00 -0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 1hl5 n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1hl5 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl5 s VAL 14 N -2.00 4.84 -0.02 0.52 1.01 -1.26 -4.22 120.40 119.27 1hl5 s VAL 14 Ca 0.45 2.00 -0.21 0.00 0.00 0.00 0.00 61.98 64.22 1hl5 s VAL 14 Cb 0.21 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1hl5 s VAL 14 CO 0.36 0.09 0.45 0.00 0.00 0.00 0.00 175.10 176.00 1hl5 s GLN 15 N 1.50 0.83 0.06 2.72 -2.07 -0.90 -3.86 119.66 117.94 1hl5 s GLN 15 Ca 0.49 -0.03 -0.19 0.00 -1.82 0.00 0.00 55.36 53.80 1hl5 s GLN 15 Cb -0.19 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1hl5 s GLN 15 CO 0.22 -0.24 0.90 0.41 -1.32 0.00 0.00 175.29 175.26 1hl5 n GLY 16 N 1.10 0.53 2.89 2.60 0.00 -0.87 -0.47 105.19 110.97 1hl5 n GLY 16 Ca -0.21 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.11 0.54 -0.07 -0.61 1.01 -0.96 -0.49 121.20 118.51 1hl5 s ILE 17 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1hl5 s ILE 17 Cb -0.01 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.89 1hl5 s ILE 17 CO 0.02 0.23 -0.20 -0.63 0.00 0.00 0.00 174.94 174.36 1hl5 s ILE 18 N 0.92 1.70 0.08 2.92 -1.09 0.06 -2.67 121.20 123.12 1hl5 s ILE 18 Ca -0.11 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.50 1hl5 s ILE 18 Cb -0.14 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1hl5 s ILE 18 CO 0.00 0.48 0.14 0.20 -1.23 0.00 0.00 174.94 174.53 1hl5 s ASN 19 N 0.26 5.84 -0.02 3.58 -0.87 0.13 -0.56 114.94 123.31 1hl5 s ASN 19 Ca -0.12 0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.28 1hl5 s ASN 19 Cb -0.15 -1.66 -0.00 0.00 -0.02 0.00 0.00 41.25 39.42 1hl5 s ASN 19 CO 0.05 0.16 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.28 1hl5 s PHE 20 N -1.48 1.00 -0.03 2.20 0.40 -0.06 -1.40 117.98 118.61 1hl5 s PHE 20 Ca 0.32 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1hl5 s PHE 20 Cb -0.12 -0.67 0.03 0.00 0.51 0.00 0.00 43.02 42.77 1hl5 s PHE 20 CO 0.24 -0.06 0.06 -2.00 0.70 0.00 0.00 175.22 174.17 1hl5 s GLU 21 N -0.07 0.01 -0.18 0.44 2.12 -0.00 -0.84 118.70 120.18 1hl5 s GLU 21 Ca 0.01 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.54 1hl5 s GLU 21 Cb -0.06 -0.19 0.05 0.00 0.26 0.00 0.00 34.13 34.19 1hl5 s GLU 21 CO 0.00 -0.14 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.41 1hl5 s GLN 22 N 0.92 1.20 0.17 4.30 0.74 0.13 -0.23 119.66 126.89 1hl5 s GLN 22 Ca -0.08 -0.51 -0.02 0.00 0.05 0.00 0.00 55.36 54.80 1hl5 s GLN 22 Cb -0.10 -2.04 0.03 0.00 1.10 0.00 0.00 33.01 32.00 1hl5 s GLN 22 CO -0.03 -0.50 1.41 0.87 -0.55 0.00 0.00 175.29 176.49 1hl5 h LYS 23 N 8.14 0.42 -4.75 1.67 1.57 -1.83 0.11 116.57 121.89 1hl5 h LYS 23 Ca -0.21 -0.36 -0.30 0.00 -1.87 0.00 0.00 60.65 57.91 1hl5 h LYS 23 Cb 1.11 0.08 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1hl5 h LYS 23 CO 0.38 1.00 -0.74 -1.21 -0.57 0.00 0.00 179.45 178.30 1hl5 s GLU 24 N -3.58 0.63 0.37 3.15 2.02 -1.26 -3.47 118.70 116.56 1hl5 s GLU 24 Ca -0.06 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 53.77 1hl5 s GLU 24 Cb 0.10 -0.41 -0.11 0.00 0.10 0.00 0.00 34.13 33.81 1hl5 s GLU 24 CO 0.85 0.07 1.49 -1.13 0.02 0.00 0.00 175.26 176.56 1hl5 n SER 25 N 1.23 3.78 0.00 -0.19 3.41 -1.26 -0.44 113.62 120.15 1hl5 n SER 25 Ca -0.21 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1hl5 n SER 25 Cb 0.55 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 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 0.62 0.00 -3.82 4.04 2.85 -1.26 -4.97 115.26 112.72 1hl5 n ASN 26 Ca 0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.19 1hl5 n ASN 26 Cb 0.39 -1.29 0.23 0.00 1.24 0.00 0.00 39.78 40.34 1hl5 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1hl5 s GLY 27 N -2.00 1.70 0.47 8.20 0.00 0.42 -4.99 107.32 111.12 1hl5 s GLY 27 Ca 0.00 -1.17 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 1hl5 s GLY 27 CO 0.00 -0.29 1.34 -1.05 0.00 0.00 0.00 173.10 173.10 1hl5 n PRO 28 N -4.37 1.96 -4.02 2.90 -0.02 -1.26 -4.79 135.00 125.39 1hl5 n PRO 28 Ca 0.16 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.99 1hl5 n PRO 28 Cb 0.60 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 1hl5 n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hl5 s VAL 29 N -1.23 4.06 0.01 -1.45 1.01 0.16 -4.22 120.40 118.74 1hl5 s VAL 29 Ca 0.64 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1hl5 s VAL 29 Cb -0.46 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1hl5 s VAL 29 CO 0.55 0.42 0.67 -0.54 0.00 0.00 0.00 175.10 176.20 1hl5 s LYS 30 N 1.05 4.40 -0.12 2.72 1.02 0.68 -1.51 119.74 127.98 1hl5 s LYS 30 Ca 0.02 0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.89 1hl5 s LYS 30 Cb -0.14 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1hl5 s LYS 30 CO 0.02 0.30 -0.12 0.08 -0.92 0.00 0.00 175.35 174.71 1hl5 s VAL 31 N -0.03 1.35 0.09 3.17 1.01 0.46 -0.82 120.40 125.64 1hl5 s VAL 31 Ca 0.34 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1hl5 s VAL 31 Cb -0.19 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1hl5 s VAL 31 CO 0.19 0.42 0.57 -1.66 0.00 0.00 0.00 175.10 174.62 1hl5 s TRP 32 N 1.35 -0.50 -5.00 5.22 -2.14 -0.49 -0.96 118.94 116.42 1hl5 s TRP 32 Ca 0.00 0.45 0.00 0.00 2.66 0.00 0.00 56.10 59.21 1hl5 s TRP 32 Cb -0.14 0.45 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 1hl5 s TRP 32 CO -0.06 -0.74 0.00 0.41 -2.66 0.00 0.00 176.95 173.89 1hl5 n GLY 33 N 0.04 -1.08 3.20 3.67 0.00 -1.02 0.21 105.19 110.22 1hl5 n GLY 33 Ca -0.18 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.17 2.53 -0.06 1.61 0.15 -1.09 -0.59 113.70 113.08 1hl5 s SER 34 Ca 0.00 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1hl5 s SER 34 Cb 0.00 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1hl5 s SER 34 CO 0.00 0.22 -0.22 -0.63 1.20 0.00 0.00 173.24 173.81 1hl5 s ILE 35 N -0.20 1.82 0.42 6.45 1.01 -0.15 -2.27 121.20 128.29 1hl5 s ILE 35 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1hl5 s ILE 35 Cb -0.11 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 1hl5 s ILE 35 CO 0.02 0.51 0.03 -1.59 0.00 0.00 0.00 174.94 173.91 1hl5 s LYS 36 N 0.04 1.96 0.00 2.79 -2.85 0.38 -0.42 119.74 121.64 1hl5 s LYS 36 Ca -0.07 -2.17 0.00 0.00 -1.00 0.00 0.00 55.97 52.73 1hl5 s LYS 36 Cb -0.14 -1.32 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 1hl5 s LYS 36 CO 0.04 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1hl5 n GLY 37 N -0.99 0.58 3.92 0.59 0.00 -1.02 -2.12 105.19 106.15 1hl5 n GLY 37 Ca -0.09 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1hl5 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 38 N 0.00 4.20 0.45 0.99 1.43 -0.71 -4.24 118.68 120.80 1hl5 s LEU 38 Ca 0.00 0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.32 1hl5 s LEU 38 Cb 0.00 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 1hl5 s LEU 38 CO 0.00 -0.07 1.15 0.42 0.23 0.00 0.00 176.35 178.08 1hl5 s THR 39 N -1.90 3.19 0.39 5.49 -4.23 -1.26 -3.95 115.64 113.37 1hl5 s THR 39 Ca 0.39 0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 61.52 1hl5 s THR 39 Cb -0.11 -3.45 -0.11 0.00 1.34 0.00 0.00 72.50 70.17 1hl5 s THR 39 CO 0.29 -0.02 1.41 1.21 -0.54 0.00 0.00 174.62 176.98 1hl5 n GLU 40 N -0.46 2.40 0.00 3.99 2.13 -1.26 -4.64 120.64 122.80 1hl5 n GLU 40 Ca 0.07 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.74 1hl5 n GLU 40 Cb 0.48 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.63 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 0.58 -0.15 3.76 8.31 0.00 -0.21 -4.91 105.19 112.57 1hl5 n GLY 41 Ca 0.03 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 1hl5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl5 s LEU 42 N 0.00 4.58 -0.04 0.99 1.43 -1.26 -1.02 118.68 123.35 1hl5 s LEU 42 Ca 0.00 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1hl5 s LEU 42 Cb 0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1hl5 s LEU 42 CO 0.00 0.13 -0.03 -1.00 0.23 0.00 0.00 176.35 175.68 1hl5 s HIS 43 N -1.26 0.62 0.61 0.29 3.76 0.21 -2.94 115.29 116.57 1hl5 s HIS 43 Ca 0.42 -0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.99 1hl5 s HIS 43 Cb -0.24 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 1hl5 s HIS 43 CO 0.29 -0.19 1.25 0.20 -0.85 0.00 0.00 174.74 175.43 1hl5 s GLY 44 N 1.09 2.79 -0.18 -2.22 0.00 -0.16 -0.71 107.32 107.92 1hl5 s GLY 44 Ca -0.09 1.10 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 1hl5 s GLY 44 CO -0.01 1.51 0.24 -0.12 0.00 0.00 0.00 173.10 174.72 1hl5 s PHE 45 N -1.50 -0.35 0.04 1.90 5.36 0.15 -0.69 117.98 122.89 1hl5 s PHE 45 Ca 0.79 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 57.20 1hl5 s PHE 45 Cb -0.33 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.06 1hl5 s PHE 45 CO 0.36 -0.54 -0.00 -1.01 -1.46 0.00 0.00 175.22 172.57 1hl5 s HIS 46 N 2.36 0.37 -0.24 10.12 3.76 -0.78 -2.59 115.29 128.29 1hl5 s HIS 46 Ca 0.06 -0.79 -0.17 0.00 -0.15 0.00 0.00 55.06 54.02 1hl5 s HIS 46 Cb -0.15 -0.27 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1hl5 s HIS 46 CO -0.11 -0.32 0.45 0.08 -0.85 0.00 0.00 174.74 173.98 1hl5 s VAL 47 N -2.92 5.13 0.34 -0.90 1.01 0.19 -1.12 120.40 122.14 1hl5 s VAL 47 Ca -0.02 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1hl5 s VAL 47 Cb 0.01 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1hl5 s VAL 47 CO -0.06 0.16 0.53 -1.00 0.00 0.00 0.00 175.10 174.72 1hl5 s HIS 48 N 1.92 3.43 0.12 5.22 3.76 0.12 -1.01 115.29 128.85 1hl5 s HIS 48 Ca 0.19 0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 55.17 1hl5 s HIS 48 Cb -0.15 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1hl5 s HIS 48 CO 0.09 0.10 1.64 1.49 -0.85 0.00 0.00 174.74 177.21 1hl5 h GLU 49 N 0.78 0.56 -5.77 1.40 4.81 -0.48 -2.72 114.58 113.16 1hl5 h GLU 49 Ca -0.49 -0.12 -0.67 0.00 -0.13 0.00 0.00 59.36 57.95 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 0.58 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.81 1hl5 s PHE 50 N -5.40 3.22 -0.34 0.92 0.08 -0.37 -4.67 117.98 111.43 1hl5 s PHE 50 Ca -0.13 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 1hl5 s PHE 50 Cb 0.09 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1hl5 s PHE 50 CO 0.75 0.42 2.93 0.41 -0.10 0.00 0.00 175.22 179.63 1hl5 n GLY 51 N 2.44 4.01 3.11 4.36 0.00 -1.06 -3.70 105.19 114.36 1hl5 n GLY 51 Ca -0.18 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 0.74 4.57 -0.22 1.61 -1.08 -1.26 -4.95 116.67 116.07 1hl5 s ASP 52 Ca 0.59 -1.32 0.14 0.00 -0.52 0.00 0.00 52.55 51.44 1hl5 s ASP 52 Cb 0.36 -1.61 0.50 0.00 -1.46 0.00 0.00 42.92 40.71 1hl5 s ASP 52 CO -0.16 -0.21 1.42 0.59 0.52 0.00 0.00 175.17 177.33 1hl5 n ASN 53 N 4.51 3.15 0.27 -0.34 3.02 -1.26 -2.86 115.26 121.74 1hl5 n ASN 53 Ca -0.14 -3.34 0.12 0.00 -0.03 0.00 0.00 54.58 51.19 1hl5 n ASN 53 Cb 0.43 -0.57 0.75 0.00 -0.61 0.00 0.00 39.78 39.78 1hl5 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1hl5 h THR 54 N 1.29 0.64 -1.00 3.41 1.35 -1.92 -2.17 112.91 114.51 1hl5 h THR 54 Ca 0.09 -0.36 -0.51 0.00 -0.55 0.00 0.00 66.41 65.08 1hl5 h THR 54 Cb 1.50 1.23 -0.42 0.00 -1.73 0.00 0.00 68.15 68.72 1hl5 h THR 54 CO 0.27 0.09 -0.86 0.00 -0.25 0.00 0.00 175.52 174.77 1hl5 n ALA 55 N -2.33 4.62 -0.69 6.62 0.00 -1.26 -5.06 120.51 122.41 1hl5 n ALA 55 Ca -0.02 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1hl5 n ALA 55 Cb 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.56 0.58 0.26 0.00 0.00 -0.82 -3.15 105.19 101.51 1hl5 n GLY 56 Ca 0.35 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 1.15 0.00 0.00 2.02 -1.89 -2.67 112.91 111.53 1hl5 h THR 58 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1hl5 h THR 58 Cb 0.52 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1hl5 h THR 58 CO 0.01 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1hl5 n SER 59 N -4.46 0.00 0.03 4.18 3.41 -1.15 -2.78 113.62 112.85 1hl5 n SER 59 Ca 0.14 -0.41 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 1hl5 n SER 59 Cb 0.12 -0.10 0.45 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.10 1.96 -0.08 7.33 0.00 -1.01 -4.46 120.51 123.16 1hl5 n ALA 60 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1hl5 n ALA 60 Cb 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.67 -1.58 2.45 0.00 0.00 -1.12 -1.23 105.19 104.38 1hl5 n GLY 61 Ca 0.05 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 1hl5 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl5 n PRO 62 N -0.06 -0.47 -1.87 1.61 -0.04 -1.26 -4.58 135.00 128.33 1hl5 n PRO 62 Ca 0.00 -1.46 -0.40 0.00 -0.04 0.00 0.00 63.50 61.60 1hl5 n PRO 62 Cb 0.00 -0.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.49 2.58 0.04 0.54 3.76 -1.26 -0.33 115.29 118.12 1hl5 s HIS 63 Ca 0.46 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.36 1hl5 s HIS 63 Cb -0.02 -3.86 -0.09 0.00 1.11 0.00 0.00 32.58 29.72 1hl5 s HIS 63 CO 0.31 -2.71 1.89 0.12 -0.85 0.00 0.00 174.74 173.51 1hl5 s PHE 64 N -1.21 1.59 -0.43 1.40 5.36 -0.18 -4.49 117.98 120.02 1hl5 s PHE 64 Ca 0.59 -0.26 0.08 0.00 -0.96 0.00 0.00 56.93 56.38 1hl5 s PHE 64 Cb -0.42 -4.18 0.29 0.00 -0.34 0.00 0.00 43.02 38.36 1hl5 s PHE 64 CO 0.55 -5.15 0.80 -1.71 -1.46 0.00 0.00 175.22 168.25 1hl5 n ASN 65 N 7.03 -1.07 0.24 6.13 5.15 -1.26 -1.39 115.26 130.09 1hl5 n ASN 65 Ca 0.19 -3.16 0.10 0.00 -0.60 0.00 0.00 54.58 51.11 1hl5 n ASN 65 Cb 0.41 0.61 0.61 0.00 -0.53 0.00 0.00 39.78 40.88 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 3.54 0.00 -0.14 1.20 0.13 -1.95 -1.99 132.00 132.80 1hl5 h PRO 66 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1hl5 h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1hl5 h PRO 66 CO 0.36 0.18 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 1hl5 n LEU 67 N -3.67 1.25 -3.87 1.56 4.77 -1.26 -4.96 117.00 110.82 1hl5 n LEU 67 Ca -0.01 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 55.17 1hl5 n LEU 67 Cb 0.30 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1hl5 n LEU 67 CO 0.32 0.27 -0.18 -1.20 -1.33 0.00 0.00 177.39 175.27 1hl5 n SER 68 N 0.06 -1.26 -4.92 -1.43 7.64 -0.75 -4.99 113.62 107.97 1hl5 n SER 68 Ca 0.15 -0.98 -0.22 0.00 1.01 0.00 0.00 58.87 58.83 1hl5 n SER 68 Cb 0.26 -3.25 -0.01 0.00 -1.01 0.00 0.00 64.21 60.20 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 -6.37 2.43 0.48 1.43 0.52 -1.26 -5.13 118.95 111.05 1hl5 s ARG 69 Ca 0.08 -1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 53.55 1hl5 s ARG 69 Cb -0.03 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1hl5 s ARG 69 CO 0.87 -0.43 0.81 0.15 0.02 0.00 0.00 175.30 176.72 1hl5 s LYS 70 N -4.27 3.59 0.45 3.54 -0.14 -1.26 -4.74 119.74 116.91 1hl5 s LYS 70 Ca 0.47 0.31 -0.25 0.00 -1.36 0.00 0.00 55.97 55.14 1hl5 s LYS 70 Cb -0.04 -2.35 -0.08 0.00 -1.68 0.00 0.00 37.83 33.69 1hl5 s LYS 70 CO 0.28 -0.21 1.32 -1.58 -0.76 0.00 0.00 175.35 174.41 1hl5 s HIS 71 N -2.71 2.65 0.09 3.18 5.65 0.20 -2.92 115.29 121.43 1hl5 s HIS 71 Ca 0.49 1.38 -0.02 0.00 0.25 0.00 0.00 55.06 57.16 1hl5 s HIS 71 Cb -0.10 -3.72 0.01 0.00 -1.18 0.00 0.00 32.58 27.59 1hl5 s HIS 71 CO 0.43 -2.36 0.15 0.41 -0.65 0.00 0.00 174.74 172.73 1hl5 n GLY 72 N 0.63 2.37 3.94 1.59 0.00 -1.25 -4.45 105.19 108.02 1hl5 n GLY 72 Ca 0.06 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.52 1.62 0.60 -0.02 0.00 -1.21 -4.70 107.32 102.09 1hl5 s GLY 73 Ca 0.06 -0.94 0.33 0.00 0.00 0.00 0.00 44.72 44.17 1hl5 s GLY 73 CO 0.04 -0.69 2.25 -0.56 0.00 0.00 0.00 173.10 174.14 1hl5 h PRO 74 N 0.07 0.00 -0.00 2.90 0.13 -1.86 -2.32 132.00 130.91 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hl5 h PRO 74 CO 0.58 0.02 -0.16 1.63 -0.23 0.00 0.00 178.00 179.84 1hl5 n LYS 75 N -3.60 0.49 -2.94 0.86 5.02 -1.26 -4.91 118.16 111.82 1hl5 n LYS 75 Ca -0.03 -0.18 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 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 7.04 0.10 4.39 1.01 -0.87 -4.99 116.67 120.71 1hl5 s ASP 76 Ca 0.24 1.58 -0.13 0.00 0.71 0.00 0.00 52.55 54.95 1hl5 s ASP 76 Cb 0.19 -2.49 -0.14 0.00 1.01 0.00 0.00 42.92 41.49 1hl5 s ASP 76 CO 0.52 -0.16 1.32 -0.08 0.21 0.00 0.00 175.17 176.98 1hl5 h GLU 77 N 2.65 0.80 -6.40 8.23 4.57 -1.90 -3.37 114.58 119.16 1hl5 h GLU 77 Ca -0.48 -0.62 -0.55 0.00 -1.18 0.00 0.00 59.36 56.53 1hl5 h GLU 77 Cb 1.18 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.81 1hl5 h GLU 77 CO 0.64 1.24 1.02 -2.00 -1.18 0.00 0.00 179.01 178.72 1hl5 s GLU 78 N -3.83 3.29 0.13 1.92 2.56 -1.26 -4.92 118.70 116.59 1hl5 s GLU 78 Ca -0.11 -0.10 -0.25 0.00 0.00 0.00 0.00 54.97 54.51 1hl5 s GLU 78 Cb 0.09 -4.13 0.07 0.00 2.00 0.00 0.00 34.13 32.16 1hl5 s GLU 78 CO 0.90 -1.99 0.74 -0.98 -0.56 0.00 0.00 175.26 173.37 1hl5 s ARG 79 N 5.44 1.21 0.52 4.30 1.70 -1.15 -3.88 118.95 127.09 1hl5 s ARG 79 Ca 0.37 -0.52 -0.17 0.00 -0.47 0.00 0.00 55.73 54.95 1hl5 s ARG 79 Cb -0.08 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.73 1hl5 s ARG 79 CO 0.18 -0.54 0.99 -1.01 -1.08 0.00 0.00 175.30 173.84 1hl5 s HIS 80 N -3.53 3.42 0.28 5.89 3.76 -1.21 -4.69 115.29 119.21 1hl5 s HIS 80 Ca 0.05 1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 1hl5 s HIS 80 Cb -0.02 -2.81 0.47 0.00 1.11 0.00 0.00 32.58 31.34 1hl5 s HIS 80 CO -0.07 -0.40 1.89 0.28 -0.85 0.00 0.00 174.74 175.59 1hl5 h VAL 81 N 0.93 1.07 0.00 -0.90 2.07 -1.81 -1.82 116.25 115.78 1hl5 h VAL 81 Ca -0.47 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1hl5 h VAL 81 Cb 1.19 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1hl5 h VAL 81 CO 0.61 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1hl5 n GLY 82 N -1.38 -0.97 3.56 2.17 0.00 -0.49 -4.42 105.19 103.66 1hl5 n GLY 82 Ca 0.15 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.33 6.37 -0.08 1.61 1.01 -0.69 -0.64 116.67 122.93 1hl5 s ASP 83 Ca 0.14 -1.12 0.19 0.00 0.71 0.00 0.00 52.55 52.47 1hl5 s ASP 83 Cb 0.07 -2.57 0.69 0.00 1.01 0.00 0.00 42.92 42.12 1hl5 s ASP 83 CO 0.11 -1.63 1.59 0.18 0.21 0.00 0.00 175.17 175.63 1hl5 n LEU 84 N 9.13 4.44 0.00 1.23 4.77 -1.07 -3.44 117.00 132.07 1hl5 n LEU 84 Ca 0.24 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 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 0.67 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 1hl5 n GLY 85 N 1.29 0.99 3.57 -0.72 0.00 -1.19 -4.79 105.19 104.33 1hl5 n GLY 85 Ca 0.25 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 4.20 0.18 1.61 0.01 -1.26 -0.67 114.94 115.01 1hl5 s ASN 86 Ca 0.00 -0.65 0.11 0.00 -0.71 0.00 0.00 52.86 51.61 1hl5 s ASN 86 Cb 0.00 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 1hl5 s ASN 86 CO 0.00 0.08 -0.22 0.68 -1.51 0.00 0.00 177.10 176.13 1hl5 s VAL 87 N -1.88 2.48 -0.16 1.60 -7.23 0.11 -4.89 120.40 110.43 1hl5 s VAL 87 Ca 0.26 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1hl5 s VAL 87 Cb -0.08 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 1hl5 s VAL 87 CO 0.16 -0.09 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.86 1hl5 s THR 88 N -1.61 3.08 -0.07 5.32 2.01 -1.26 -0.62 115.64 122.49 1hl5 s THR 88 Ca 0.21 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1hl5 s THR 88 Cb -0.08 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1hl5 s THR 88 CO 0.10 0.50 0.32 0.00 -0.69 0.00 0.00 174.62 174.85 1hl5 s ALA 89 N 0.75 3.71 0.95 7.40 0.00 -0.18 -4.23 121.76 130.17 1hl5 s ALA 89 Ca -0.05 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1hl5 s ALA 89 Cb -0.15 -2.29 0.09 0.00 0.00 0.00 0.00 23.12 20.76 1hl5 s ALA 89 CO 0.01 0.42 0.52 -0.40 0.00 0.00 0.00 175.76 176.32 1hl5 n ASP 90 N 2.27 0.09 0.31 0.00 5.68 0.33 -1.05 116.55 124.19 1hl5 n ASP 90 Ca -0.15 -1.22 0.21 0.00 -0.50 0.00 0.00 54.79 53.13 1hl5 n ASP 90 Cb 0.53 -0.40 1.03 0.00 -1.14 0.00 0.00 41.12 41.14 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 -0.47 0.11 2.10 -1.97 -1.32 116.57 115.02 1hl5 h LYS 91 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1hl5 h LYS 91 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1hl5 h LYS 91 CO 0.12 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1hl5 n ASP 92 N -3.04 2.79 0.00 7.07 8.00 -1.26 -4.87 116.55 125.24 1hl5 n ASP 92 Ca -0.02 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1hl5 n ASP 92 Cb 0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.35 0.62 3.51 0.44 0.00 -0.50 -4.73 105.19 105.88 1hl5 n GLY 93 Ca 0.18 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 3.99 -0.39 1.61 1.01 -1.26 -1.74 120.40 121.62 1hl5 s VAL 94 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1hl5 s VAL 94 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1hl5 s VAL 94 CO 0.00 0.49 0.22 0.00 0.00 0.00 0.00 175.10 175.81 1hl5 s ALA 95 N 0.41 3.25 -1.06 5.51 0.00 0.44 -0.51 121.76 129.80 1hl5 s ALA 95 Ca -0.03 -1.96 -0.19 0.00 0.00 0.00 0.00 51.96 49.78 1hl5 s ALA 95 Cb -0.14 -2.58 0.10 0.00 0.00 0.00 0.00 23.12 20.50 1hl5 s ALA 95 CO 0.03 -1.53 1.37 -0.51 0.00 0.00 0.00 175.76 175.11 1hl5 s ASP 96 N 1.84 6.69 0.23 0.00 -0.00 -1.26 -0.97 116.67 123.21 1hl5 s ASP 96 Ca 0.02 -2.08 -0.30 0.00 -0.00 0.00 0.00 52.55 50.19 1hl5 s ASP 96 Cb -0.21 -2.48 -0.09 0.00 -0.00 0.00 0.00 42.92 40.14 1hl5 s ASP 96 CO 0.04 -1.16 1.32 -0.69 -0.00 0.00 0.00 175.17 174.67 1hl5 s VAL 97 N 3.42 3.07 -0.29 -1.27 1.01 0.24 -4.89 120.40 121.69 1hl5 s VAL 97 Ca 0.42 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1hl5 s VAL 97 Cb -0.02 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.94 1hl5 s VAL 97 CO -0.06 0.15 0.41 -0.55 0.00 0.00 0.00 175.10 175.06 1hl5 s SER 98 N 0.17 0.34 0.02 3.32 0.15 -1.25 -2.43 113.70 114.02 1hl5 s SER 98 Ca 0.55 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1hl5 s SER 98 Cb -0.38 1.13 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 1hl5 s SER 98 CO 0.41 -0.35 -0.08 -0.63 1.20 0.00 0.00 173.24 173.79 1hl5 s ILE 99 N 2.55 0.57 -0.05 6.45 1.01 -0.13 -5.01 121.20 126.58 1hl5 s ILE 99 Ca 0.10 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1hl5 s ILE 99 Cb -0.12 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1hl5 s ILE 99 CO -0.30 -0.13 -0.12 -0.70 0.00 0.00 0.00 174.94 173.68 1hl5 s GLU 100 N -0.95 1.57 -0.05 2.79 2.12 -1.26 -0.40 118.70 122.53 1hl5 s GLU 100 Ca -0.04 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 1hl5 s GLU 100 Cb -0.07 -1.34 0.02 0.00 0.26 0.00 0.00 34.13 33.01 1hl5 s GLU 100 CO 0.00 0.08 0.12 0.34 -0.54 0.00 0.00 175.26 175.26 1hl5 s ASP 101 N 0.47 -0.09 0.00 -1.70 2.15 -0.57 -4.96 116.67 111.97 1hl5 s ASP 101 Ca -0.11 0.23 0.13 0.00 0.43 0.00 0.00 52.55 53.24 1hl5 s ASP 101 Cb -0.14 0.17 0.35 0.00 -0.30 0.00 0.00 42.92 43.00 1hl5 s ASP 101 CO 0.03 -0.09 1.27 -1.20 -0.17 0.00 0.00 175.17 175.00 1hl5 n SER 102 N 3.66 3.02 -0.08 -0.34 7.64 -1.26 -0.66 113.62 125.60 1hl5 n SER 102 Ca -0.20 -1.95 -0.22 0.00 1.01 0.00 0.00 58.87 57.51 1hl5 n SER 102 Cb 0.55 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.75 1.60 -1.19 0.44 0.31 -1.26 -4.88 118.33 114.11 1hl5 n VAL 103 Ca 0.14 -0.24 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 1hl5 n VAL 103 Cb 0.45 -1.93 0.13 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.43 2.82 0.11 2.52 -4.36 -1.26 -4.80 121.20 113.79 1hl5 s ILE 104 Ca -0.28 0.27 -0.15 0.00 -0.26 0.00 0.00 60.65 60.23 1hl5 s ILE 104 Cb 0.07 -2.72 0.03 0.00 1.25 0.00 0.00 42.46 41.08 1hl5 s ILE 104 CO 0.63 -0.35 0.35 -0.55 0.24 0.00 0.00 174.94 175.27 1hl5 s SER 105 N -3.36 -0.16 0.00 4.36 0.15 -0.77 -4.67 113.70 109.25 1hl5 s SER 105 Ca 0.63 -0.35 0.20 0.00 0.70 0.00 0.00 55.95 57.12 1hl5 s SER 105 Cb -0.18 0.44 0.52 0.00 -1.71 0.00 0.00 66.02 65.09 1hl5 s SER 105 CO 0.57 -0.80 1.44 0.18 1.20 0.00 0.00 173.24 175.82 1hl5 n LEU 106 N -0.09 3.60 -4.00 3.45 4.77 -1.26 -1.58 117.00 121.89 1hl5 n LEU 106 Ca -0.16 -1.89 -0.10 0.00 -0.03 0.00 0.00 56.01 53.83 1hl5 n LEU 106 Cb 0.63 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1hl5 n LEU 106 CO 0.19 0.88 0.19 -0.94 -1.33 0.00 0.00 177.39 176.37 1hl5 s SER 107 N -1.08 0.05 0.54 -1.43 1.04 -1.26 -4.84 113.70 106.71 1hl5 s SER 107 Ca 0.41 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1hl5 s SER 107 Cb 0.22 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1hl5 s SER 107 CO 0.29 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1hl5 n GLY 108 N -0.41 -0.11 0.24 7.32 0.00 -1.26 -3.63 105.19 107.34 1hl5 n GLY 108 Ca -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 0.43 -0.69 1.61 3.45 -2.00 -2.50 116.42 117.97 1hl5 h ASP 109 Ca 0.00 0.04 -0.26 0.00 0.43 0.00 0.00 57.03 57.24 1hl5 h ASP 109 Cb 0.00 -0.04 -0.16 0.00 -0.56 0.00 0.00 39.33 38.58 1hl5 h ASP 109 CO 0.00 0.28 0.33 1.41 -1.57 0.00 0.00 179.24 179.69 1hl5 n HIS 110 N -4.86 2.21 -1.84 4.55 8.25 -1.26 -4.97 115.22 117.31 1hl5 n HIS 110 Ca 0.07 -1.22 -0.42 0.00 -0.26 0.00 0.00 57.72 55.90 1hl5 n HIS 110 Cb 0.19 -0.68 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 1hl5 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl5 n ILE 112 N 3.59 0.17 -2.08 0.00 -5.35 -0.61 -4.91 119.36 110.16 1hl5 n ILE 112 Ca 0.13 -0.58 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 1hl5 n ILE 112 Cb 0.37 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.43 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 -1.25 2.80 0.00 7.28 -1.09 -1.26 -1.98 121.20 125.70 1hl5 s ILE 113 Ca 0.21 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1hl5 s ILE 113 Cb 0.14 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1hl5 s ILE 113 CO 0.20 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1hl5 n GLY 114 N 2.08 0.86 1.21 6.18 0.00 0.85 -5.00 105.19 111.37 1hl5 n GLY 114 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.02 1.03 -5.14 1.61 1.74 -0.84 -2.55 116.66 110.49 1hl5 n ARG 115 Ca 0.00 -1.02 -0.32 0.00 -0.77 0.00 0.00 57.85 55.74 1hl5 n ARG 115 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.43 2.29 -0.07 0.55 2.01 -1.03 -0.68 115.64 118.27 1hl5 s THR 116 Ca 0.15 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 1hl5 s THR 116 Cb -0.01 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1hl5 s THR 116 CO 0.10 0.56 0.40 -0.22 -0.69 0.00 0.00 174.62 174.76 1hl5 s LEU 117 N 0.09 4.36 -0.04 4.42 2.96 -0.48 0.16 118.68 130.15 1hl5 s LEU 117 Ca -0.10 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1hl5 s LEU 117 Cb -0.16 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1hl5 s LEU 117 CO 0.06 0.18 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.43 1hl5 s VAL 118 N -0.23 1.26 -0.09 1.68 1.01 -0.27 -2.00 120.40 121.75 1hl5 s VAL 118 Ca 0.23 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1hl5 s VAL 118 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1hl5 s VAL 118 CO 0.10 0.37 -0.06 0.54 0.00 0.00 0.00 175.10 176.05 1hl5 s VAL 119 N 0.17 3.74 0.39 2.92 0.11 -0.70 -1.86 120.40 125.18 1hl5 s VAL 119 Ca -0.06 -0.45 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 1hl5 s VAL 119 Cb -0.12 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1hl5 s VAL 119 CO 0.02 0.58 0.33 -1.00 -3.33 0.00 0.00 175.10 171.70 1hl5 s HIS 120 N -0.54 2.76 0.17 1.54 3.76 0.13 -1.14 115.29 121.97 1hl5 s HIS 120 Ca 0.08 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.43 1hl5 s HIS 120 Cb -0.12 -2.04 0.06 0.00 1.11 0.00 0.00 32.58 31.60 1hl5 s HIS 120 CO 0.02 -0.00 1.73 1.49 -0.85 0.00 0.00 174.74 177.13 1hl5 h GLU 121 N 1.13 0.84 -5.25 1.40 4.81 -0.91 -3.38 114.58 113.23 1hl5 h GLU 121 Ca -0.42 -0.14 -0.58 0.00 -0.13 0.00 0.00 59.36 58.09 1hl5 h GLU 121 Cb 1.26 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 1hl5 h GLU 121 CO 0.58 0.71 -0.56 0.15 -0.73 0.00 0.00 179.01 179.16 1hl5 s LYS 122 N -5.61 1.92 0.47 1.92 1.02 0.00 -4.92 119.74 114.55 1hl5 s LYS 122 Ca -0.13 -2.15 -0.24 0.00 0.02 0.00 0.00 55.97 53.48 1hl5 s LYS 122 Cb 0.12 -1.10 -0.07 0.00 -0.52 0.00 0.00 37.83 36.26 1hl5 s LYS 122 CO 0.78 -0.29 1.27 0.00 -0.92 0.00 0.00 175.35 176.19 1hl5 s ALA 123 N -3.06 3.03 -0.17 5.17 0.00 -1.15 -0.99 121.76 124.58 1hl5 s ALA 123 Ca 0.25 1.15 -0.25 0.00 0.00 0.00 0.00 51.96 53.11 1hl5 s ALA 123 Cb 0.05 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1hl5 s ALA 123 CO 0.13 -0.92 0.80 0.34 0.00 0.00 0.00 175.76 176.11 1hl5 s ASP 124 N -1.03 6.93 0.00 0.00 -1.08 -1.26 -3.94 116.67 116.29 1hl5 s ASP 124 Ca 0.64 1.14 0.15 0.00 -0.52 0.00 0.00 52.55 53.96 1hl5 s ASP 124 Cb -0.35 -2.44 0.92 0.00 -1.46 0.00 0.00 42.92 39.58 1hl5 s ASP 124 CO 0.43 -0.37 1.55 -0.90 0.52 0.00 0.00 175.17 176.41 1hl5 n ASP 125 N 5.13 0.00 -2.34 -0.34 5.68 0.23 -4.87 116.55 120.04 1hl5 n ASP 125 Ca 0.04 -1.42 -0.19 0.00 -0.50 0.00 0.00 54.79 52.71 1hl5 n ASP 125 Cb 0.49 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.75 -1.79 0.00 -2.12 4.77 -1.26 -1.61 117.00 114.24 1hl5 n LEU 126 Ca 0.12 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1hl5 n LEU 126 Cb 0.05 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.33 1hl5 n LEU 126 CO 0.09 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1hl5 n GLY 127 N -0.93 0.49 1.11 -0.72 0.00 -1.24 -3.36 105.19 100.53 1hl5 n GLY 127 Ca -0.23 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.94 3.35 0.00 1.61 5.02 -0.63 -4.59 118.16 119.98 1hl5 n LYS 128 Ca 0.00 -2.88 0.13 0.00 -2.02 0.00 0.00 58.31 53.54 1hl5 n LYS 128 Cb 0.00 -1.91 0.39 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.19 -1.32 2.11 0.72 0.00 -1.26 -4.94 105.19 100.31 1hl5 n GLY 129 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.61 3.32 -0.02 0.00 -1.26 -5.00 105.19 104.33 1hl5 n GLY 130 Ca 0.06 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.80 1.26 0.19 1.61 2.20 -1.26 -5.05 114.94 111.09 1hl5 s ASN 131 Ca 0.00 -1.44 -0.11 0.00 -0.94 0.00 0.00 52.86 50.37 1hl5 s ASN 131 Cb 0.00 0.24 0.10 0.00 -2.00 0.00 0.00 41.25 39.60 1hl5 s ASN 131 CO 0.00 -0.78 1.78 -0.08 -2.94 0.00 0.00 177.10 175.07 1hl5 h GLU 132 N 2.34 0.93 -0.36 3.55 4.81 -2.00 -2.37 114.58 121.49 1hl5 h GLU 132 Ca -0.37 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1hl5 h GLU 132 Cb 1.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1hl5 h GLU 132 CO 0.58 0.74 0.24 1.49 -0.73 0.00 0.00 179.01 181.32 1hl5 h GLU 133 N 0.90 0.37 -0.76 1.92 4.57 -2.00 -1.69 114.58 117.89 1hl5 h GLU 133 Ca 0.23 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1hl5 h GLU 133 Cb 0.10 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1hl5 h GLU 133 CO -0.03 0.24 0.46 1.03 -1.18 0.00 0.00 179.01 179.53 1hl5 h SER 134 N 0.38 0.91 0.41 1.04 0.87 -1.76 0.13 113.55 115.53 1hl5 h SER 134 Ca 0.14 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1hl5 h SER 134 Cb 0.11 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1hl5 h SER 134 CO -0.03 0.70 -0.02 0.35 -0.53 0.00 0.00 176.83 177.30 1hl5 n THR 135 N -4.38 0.00 -0.07 2.23 -2.24 -0.65 -2.10 114.28 107.07 1hl5 n THR 135 Ca 0.08 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1hl5 n THR 135 Cb 0.07 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.16 0.29 0.00 -0.78 5.02 -0.48 -0.63 118.16 120.42 1hl5 n LYS 136 Ca 0.16 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1hl5 n LYS 136 Cb 0.22 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.65 0.00 -1.03 -0.18 -2.24 0.34 -4.66 114.28 102.87 1hl5 n THR 137 Ca -0.26 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.07 1hl5 n THR 137 Cb 0.67 1.08 -0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.29 0.36 3.31 3.38 0.00 -0.89 -3.50 105.19 108.15 1hl5 n GLY 138 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1hl5 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hl5 n ASN 139 N -0.34 -5.78 -0.28 1.61 3.02 -1.25 -0.60 115.26 111.64 1hl5 n ASN 139 Ca -0.01 -0.42 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1hl5 n ASN 139 Cb 0.23 -4.64 0.52 0.00 -0.61 0.00 0.00 39.78 35.28 1hl5 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hl5 n ALA 140 N -4.06 2.58 -0.57 5.41 0.00 -1.23 -4.72 120.51 117.91 1hl5 n ALA 140 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1hl5 n ALA 140 Cb 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.99 0.35 3.71 0.00 0.00 -1.26 -0.82 105.19 108.17 1hl5 n GLY 141 Ca 0.16 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 3.37 -0.44 1.61 1.04 -1.26 -4.62 113.70 109.41 1hl5 s SER 142 Ca 0.00 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 1hl5 s SER 142 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.95 1hl5 s SER 142 CO 0.00 -2.71 0.46 -0.13 0.98 0.00 0.00 173.24 171.85 1hl5 s ARG 143 N -4.90 3.09 0.06 4.02 0.52 -1.26 -0.83 118.95 119.65 1hl5 s ARG 143 Ca 0.64 -0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 54.98 1hl5 s ARG 143 Cb -0.18 -4.00 -0.29 0.00 0.52 0.00 0.00 34.95 31.00 1hl5 s ARG 143 CO 0.57 -0.92 1.09 -0.07 0.02 0.00 0.00 175.30 176.00 1hl5 h LEU 144 N 9.13 0.49 -7.11 2.53 3.38 -1.43 -3.48 115.31 118.82 1hl5 h LEU 144 Ca -0.27 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.12 1hl5 h LEU 144 Cb 1.11 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1hl5 h LEU 144 CO 0.83 1.42 0.11 0.00 0.09 0.00 0.00 178.44 180.89 1hl5 s ALA 145 N -2.64 -1.50 0.28 1.53 0.00 -1.17 -4.10 121.76 114.15 1hl5 s ALA 145 Ca -0.05 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1hl5 s ALA 145 Cb 0.07 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1hl5 s ALA 145 CO 0.89 -0.51 0.61 0.00 0.00 0.00 0.00 175.76 176.76 1hl5 s GLY 147 N -2.98 -0.36 0.08 0.00 0.00 -0.85 -1.46 107.32 101.76 1hl5 s GLY 147 Ca 0.17 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.07 1hl5 s GLY 147 CO 0.09 0.12 0.65 0.14 0.00 0.00 0.00 173.10 174.09 1hl5 s VAL 148 N -3.45 4.66 -0.31 1.40 1.01 -1.26 -1.38 120.40 121.07 1hl5 s VAL 148 Ca 0.07 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1hl5 s VAL 148 Cb -0.02 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1hl5 s VAL 148 CO -0.04 0.51 1.09 -0.63 0.00 0.00 0.00 175.10 176.04 1hl5 s ILE 149 N -0.90 4.49 0.20 2.22 1.01 0.14 -4.54 121.20 123.84 1hl5 s ILE 149 Ca 0.32 1.73 0.10 0.00 0.00 0.00 0.00 60.65 62.80 1hl5 s ILE 149 Cb -0.20 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1hl5 s ILE 149 CO 0.21 -0.45 -0.14 -0.83 0.00 0.00 0.00 174.94 173.74 1hl5 s GLY 150 N 1.69 1.73 0.28 6.18 0.00 0.08 -0.10 107.32 117.18 1hl5 s GLY 150 Ca 0.46 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.32 1hl5 s GLY 150 CO 0.15 -1.61 1.29 -0.42 0.00 0.00 0.00 173.10 172.51 1hl5 s ILE 151 N -1.83 2.94 0.23 0.90 1.01 -1.26 -0.44 121.20 122.76 1hl5 s ILE 151 Ca 0.25 0.89 0.09 0.00 0.00 0.00 0.00 60.65 61.88 1hl5 s ILE 151 Cb -0.08 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1hl5 s ILE 151 CO 0.14 0.19 -0.16 0.00 0.00 0.00 0.00 174.94 175.11 1hl5 s ALA 152 N -0.74 2.26 -2.00 9.38 0.00 -0.63 -4.77 121.76 125.26 1hl5 s ALA 152 Ca 0.51 -1.74 0.25 0.00 0.00 0.00 0.00 51.96 50.98 1hl5 s ALA 152 Cb -0.38 -0.14 1.48 0.00 0.00 0.00 0.00 23.12 24.09 1hl5 s ALA 152 CO 0.47 0.13 1.84 0.94 0.00 0.00 0.00 175.76 179.14