#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl4 n THR 2 N 0.00 0.00 -3.98 0.00 -2.24 -1.26 -4.68 114.28 102.12 1hl4 n THR 2 Ca 0.00 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1hl4 n THR 2 Cb 0.00 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 1hl4 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hl4 s LYS 3 N -2.44 0.18 0.14 -0.78 1.02 -1.26 0.26 119.74 116.85 1hl4 s LYS 3 Ca 0.04 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1hl4 s LYS 3 Cb 0.10 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1hl4 s LYS 3 CO 0.58 0.03 0.08 0.00 -0.92 0.00 0.00 175.35 175.13 1hl4 s ALA 4 N -0.22 0.86 0.02 5.17 0.00 -0.41 -0.79 121.76 126.38 1hl4 s ALA 4 Ca -0.01 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 1hl4 s ALA 4 Cb -0.02 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1hl4 s ALA 4 CO -0.00 -0.51 0.28 0.54 0.00 0.00 0.00 175.76 176.07 1hl4 s VAL 5 N -4.06 0.08 -0.08 0.00 0.11 -0.58 -0.34 120.40 115.52 1hl4 s VAL 5 Ca 0.26 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1hl4 s VAL 5 Cb 0.07 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1hl4 s VAL 5 CO 0.03 -0.35 0.17 0.00 -3.33 0.00 0.00 175.10 171.63 1hl4 s VAL 7 N 1.80 5.08 -0.24 0.00 1.01 -1.26 -1.35 120.40 125.44 1hl4 s VAL 7 Ca -0.03 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 1hl4 s VAL 7 Cb -0.12 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1hl4 s VAL 7 CO -0.06 0.16 0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1hl4 s LEU 8 N 1.71 4.11 0.02 3.92 1.02 -0.58 -3.76 118.68 125.12 1hl4 s LEU 8 Ca 0.25 0.15 -0.05 0.00 0.02 0.00 0.00 54.13 54.50 1hl4 s LEU 8 Cb -0.16 -2.16 -0.01 0.00 0.02 0.00 0.00 46.19 43.89 1hl4 s LEU 8 CO 0.10 0.04 0.09 -0.54 0.02 0.00 0.00 176.35 176.06 1hl4 s LYS 9 N 1.15 0.48 0.00 1.70 1.02 -0.26 -2.39 119.74 121.45 1hl4 s LYS 9 Ca 0.09 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1hl4 s LYS 9 Cb -0.14 0.19 -0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1hl4 s LYS 9 CO 0.05 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1hl4 n GLY 10 N 1.28 4.05 0.21 -3.33 0.00 -1.23 -1.96 105.19 104.20 1hl4 n GLY 10 Ca -0.22 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.13 1hl4 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl4 h ASP 11 N 0.00 0.00 0.00 1.61 3.45 -1.90 -3.46 116.42 116.13 1hl4 h ASP 11 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1hl4 h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1hl4 h ASP 11 CO 0.00 0.27 0.00 0.61 -1.57 0.00 0.00 179.24 178.55 1hl4 n GLY 12 N -0.71 2.86 0.03 2.75 0.00 -1.26 -5.04 105.19 103.82 1hl4 n GLY 12 Ca -0.02 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1hl4 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl4 n PRO 13 N 0.00 0.14 -1.95 1.61 -0.05 -1.26 -4.90 135.00 128.60 1hl4 n PRO 13 Ca 0.00 0.05 -0.42 0.00 -0.05 0.00 0.00 63.50 63.07 1hl4 n PRO 13 Cb 0.00 -1.59 -0.03 0.00 -0.05 0.00 0.00 33.50 31.83 1hl4 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1hl4 s VAL 14 N -3.08 3.08 0.06 0.52 1.01 -1.26 -4.37 120.40 116.37 1hl4 s VAL 14 Ca 0.09 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1hl4 s VAL 14 Cb 0.16 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1hl4 s VAL 14 CO 0.69 -0.00 0.45 0.00 0.00 0.00 0.00 175.10 176.24 1hl4 s GLN 15 N 2.64 0.99 0.00 2.72 -2.07 -0.36 -3.58 119.66 120.01 1hl4 s GLN 15 Ca 0.73 -0.38 0.00 0.00 -1.82 0.00 0.00 55.36 53.89 1hl4 s GLN 15 Cb -0.39 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1hl4 s GLN 15 CO 0.32 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 1hl4 n GLY 16 N 0.33 -1.26 2.78 2.60 0.00 -1.01 0.71 105.19 109.34 1hl4 n GLY 16 Ca -0.18 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 1hl4 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hl4 s ILE 17 N -2.49 -0.14 -0.11 -0.61 1.01 -0.47 -1.53 121.20 116.86 1hl4 s ILE 17 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1hl4 s ILE 17 Cb 0.00 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 1hl4 s ILE 17 CO 0.00 0.14 -0.19 -0.63 0.00 0.00 0.00 174.94 174.26 1hl4 s ILE 18 N 1.82 2.52 0.02 2.92 -1.09 -0.46 -1.99 121.20 124.94 1hl4 s ILE 18 Ca -0.01 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.55 1hl4 s ILE 18 Cb -0.12 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 1hl4 s ILE 18 CO -0.04 0.54 0.14 0.20 -1.23 0.00 0.00 174.94 174.55 1hl4 s ASN 19 N 0.32 6.04 -0.03 3.58 -0.87 0.24 -1.26 114.94 122.95 1hl4 s ASN 19 Ca -0.15 0.22 0.04 0.00 -1.57 0.00 0.00 52.86 51.40 1hl4 s ASN 19 Cb -0.17 -1.80 -0.00 0.00 -0.02 0.00 0.00 41.25 39.25 1hl4 s ASN 19 CO 0.07 0.23 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.32 1hl4 s PHE 20 N -1.34 1.49 -0.03 2.20 0.40 0.54 -1.66 117.98 119.58 1hl4 s PHE 20 Ca 0.28 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1hl4 s PHE 20 Cb -0.12 -1.01 0.03 0.00 0.51 0.00 0.00 43.02 42.43 1hl4 s PHE 20 CO 0.20 -0.13 0.06 -2.00 0.70 0.00 0.00 175.22 174.05 1hl4 s GLU 21 N 0.01 -0.02 -0.21 0.44 2.12 -0.35 -1.29 118.70 119.40 1hl4 s GLU 21 Ca -0.02 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.58 1hl4 s GLU 21 Cb -0.10 -0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.07 1hl4 s GLU 21 CO 0.01 -0.20 -0.08 -1.14 -0.54 0.00 0.00 175.26 173.32 1hl4 s GLN 22 N 1.30 1.81 0.12 4.30 0.74 0.14 -0.62 119.66 127.45 1hl4 s GLN 22 Ca -0.07 -0.87 -0.14 0.00 0.05 0.00 0.00 55.36 54.34 1hl4 s GLN 22 Cb -0.13 -2.44 -0.05 0.00 1.10 0.00 0.00 33.01 31.50 1hl4 s GLN 22 CO -0.04 -0.49 1.49 0.87 -0.55 0.00 0.00 175.29 176.57 1hl4 h LYS 23 N 7.98 0.78 -4.56 1.67 1.57 -1.82 -3.41 116.57 118.79 1hl4 h LYS 23 Ca -0.24 -0.35 -0.27 0.00 -1.87 0.00 0.00 60.65 57.92 1hl4 h LYS 23 Cb 1.09 -0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.17 1hl4 h LYS 23 CO 0.44 0.97 -0.73 -1.83 -0.57 0.00 0.00 179.45 177.74 1hl4 s GLU 24 N -4.58 0.54 0.27 3.15 -1.05 -1.26 -5.04 118.70 110.73 1hl4 s GLU 24 Ca -0.12 -0.78 0.01 0.00 -0.15 0.00 0.00 54.97 53.92 1hl4 s GLU 24 Cb 0.10 -0.28 0.61 0.00 -0.44 0.00 0.00 34.13 34.12 1hl4 s GLU 24 CO 0.83 0.04 1.74 1.03 0.95 0.00 0.00 175.26 179.86 1hl4 h SER 25 N 4.42 0.49 -0.24 0.83 0.87 -1.96 0.26 113.55 118.21 1hl4 h SER 25 Ca -0.36 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1hl4 h SER 25 Cb 1.20 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1hl4 h SER 25 CO 0.42 0.16 0.00 0.59 -0.53 0.00 0.00 176.83 177.47 1hl4 n ASN 26 N -4.92 1.61 -4.91 6.23 5.03 -1.26 -4.95 115.26 112.09 1hl4 n ASN 26 Ca 0.19 -1.84 -0.21 0.00 0.87 0.00 0.00 54.58 53.59 1hl4 n ASN 26 Cb 0.51 -0.16 0.05 0.00 -1.02 0.00 0.00 39.78 39.17 1hl4 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1hl4 s GLY 27 N -1.27 1.82 0.59 7.41 0.00 0.91 -5.10 107.32 111.68 1hl4 s GLY 27 Ca 0.26 -1.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.25 1hl4 s GLY 27 CO 0.20 -1.21 1.07 -4.14 0.00 0.00 0.00 173.10 169.02 1hl4 s PRO 28 N -4.79 3.26 -0.20 2.90 0.02 -1.26 -4.89 135.00 130.04 1hl4 s PRO 28 Ca 0.60 1.29 -0.05 0.00 0.02 0.00 0.00 61.00 62.85 1hl4 s PRO 28 Cb -0.08 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 1hl4 s PRO 28 CO 0.39 -0.87 0.01 0.08 -0.33 0.00 0.00 177.00 176.29 1hl4 s VAL 29 N -2.34 4.11 -0.11 3.83 1.01 0.24 -4.36 120.40 122.78 1hl4 s VAL 29 Ca 0.65 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1hl4 s VAL 29 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1hl4 s VAL 29 CO 0.35 0.43 0.69 -0.54 0.00 0.00 0.00 175.10 176.03 1hl4 s LYS 30 N 0.90 4.37 -0.08 2.72 1.02 0.21 -1.56 119.74 127.30 1hl4 s LYS 30 Ca 0.02 0.81 0.05 0.00 0.02 0.00 0.00 55.97 56.86 1hl4 s LYS 30 Cb -0.14 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1hl4 s LYS 30 CO 0.02 -0.04 -0.24 0.54 -0.92 0.00 0.00 175.35 174.71 1hl4 s VAL 31 N 1.19 2.03 0.02 3.17 0.11 0.25 -1.21 120.40 125.96 1hl4 s VAL 31 Ca 0.35 -1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.10 1hl4 s VAL 31 Cb -0.17 -1.74 0.08 0.00 -1.53 0.00 0.00 36.38 33.02 1hl4 s VAL 31 CO 0.15 0.56 0.72 -1.66 -3.33 0.00 0.00 175.10 171.53 1hl4 s TRP 32 N 0.16 -0.54 -3.49 1.54 -2.14 -0.67 -0.40 118.94 113.41 1hl4 s TRP 32 Ca -0.13 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.28 1hl4 s TRP 32 Cb -0.16 0.49 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 1hl4 s TRP 32 CO 0.07 -0.66 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 1hl4 n GLY 33 N 0.25 -0.30 3.10 3.67 0.00 -0.69 0.82 105.19 112.04 1hl4 n GLY 33 Ca -0.16 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1hl4 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hl4 s SER 34 N -4.00 -0.29 -0.06 1.61 0.15 -0.84 -0.16 113.70 110.11 1hl4 s SER 34 Ca 0.00 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.26 1hl4 s SER 34 Cb 0.00 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1hl4 s SER 34 CO 0.00 -0.15 -0.22 -0.63 1.20 0.00 0.00 173.24 173.45 1hl4 s ILE 35 N 0.94 1.81 0.38 6.45 1.01 -0.28 -1.37 121.20 130.13 1hl4 s ILE 35 Ca -0.07 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1hl4 s ILE 35 Cb -0.08 -1.55 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 1hl4 s ILE 35 CO -0.06 0.51 0.02 -1.59 0.00 0.00 0.00 174.94 173.81 1hl4 s LYS 36 N 0.00 1.86 0.00 2.79 -2.85 0.22 -1.03 119.74 120.73 1hl4 s LYS 36 Ca -0.06 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.87 1hl4 s LYS 36 Cb -0.14 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 1hl4 s LYS 36 CO 0.04 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.82 1hl4 n GLY 37 N -0.87 0.51 3.86 0.59 0.00 -0.93 -1.22 105.19 107.12 1hl4 n GLY 37 Ca -0.04 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1hl4 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl4 s LEU 38 N 0.00 4.40 0.31 0.99 1.02 -0.46 -4.20 118.68 120.73 1hl4 s LEU 38 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 54.13 54.71 1hl4 s LEU 38 Cb 0.00 -2.81 -0.10 0.00 0.02 0.00 0.00 46.19 43.30 1hl4 s LEU 38 CO 0.00 0.24 1.21 0.42 0.02 0.00 0.00 176.35 178.24 1hl4 s THR 39 N -1.27 3.06 0.25 5.49 -4.23 -1.26 -3.53 115.64 114.15 1hl4 s THR 39 Ca 0.29 1.07 -0.31 0.00 -1.18 0.00 0.00 61.69 61.56 1hl4 s THR 39 Cb -0.15 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 69.87 1hl4 s THR 39 CO 0.16 0.25 1.28 1.21 -0.54 0.00 0.00 174.62 176.98 1hl4 n GLU 40 N 0.99 1.77 0.00 3.99 2.13 -1.26 -4.64 120.64 123.62 1hl4 n GLU 40 Ca -0.00 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1hl4 n GLU 40 Cb 0.43 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1hl4 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hl4 n GLY 41 N 1.77 0.18 3.73 8.31 0.00 -0.88 -4.93 105.19 113.37 1hl4 n GLY 41 Ca 0.11 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1hl4 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hl4 s LEU 42 N 0.00 4.49 -0.09 0.99 1.02 -1.26 -1.30 118.68 122.52 1hl4 s LEU 42 Ca 0.00 1.79 -0.00 0.00 0.02 0.00 0.00 54.13 55.93 1hl4 s LEU 42 Cb 0.00 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.65 1hl4 s LEU 42 CO 0.00 -0.09 -0.05 -1.00 0.02 0.00 0.00 176.35 175.23 1hl4 s HIS 43 N 0.09 1.19 0.19 0.29 3.76 0.33 -2.86 115.29 118.28 1hl4 s HIS 43 Ca 0.47 -0.52 -0.33 0.00 -0.15 0.00 0.00 55.06 54.54 1hl4 s HIS 43 Cb -0.23 -1.06 -0.15 0.00 1.11 0.00 0.00 32.58 32.25 1hl4 s HIS 43 CO 0.30 -0.43 1.33 0.41 -0.85 0.00 0.00 174.74 175.50 1hl4 n GLY 44 N 4.90 0.51 2.82 -2.22 0.00 -0.70 0.74 105.19 111.23 1hl4 n GLY 44 Ca -0.12 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 1hl4 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hl4 s PHE 45 N 0.06 1.99 0.05 1.61 5.36 0.54 -0.14 117.98 127.46 1hl4 s PHE 45 Ca 0.73 -1.73 0.05 0.00 -0.96 0.00 0.00 56.93 55.02 1hl4 s PHE 45 Cb -0.76 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1hl4 s PHE 45 CO 0.49 -0.81 -0.15 -1.01 -1.46 0.00 0.00 175.22 172.27 1hl4 s HIS 46 N 1.52 1.33 -0.10 10.12 3.76 -0.74 -1.54 115.29 129.64 1hl4 s HIS 46 Ca 0.04 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.33 1hl4 s HIS 46 Cb -0.18 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 1hl4 s HIS 46 CO -0.16 0.06 0.73 0.08 -0.85 0.00 0.00 174.74 174.61 1hl4 s VAL 47 N -0.97 5.00 0.11 -0.90 1.01 0.74 -0.41 120.40 124.98 1hl4 s VAL 47 Ca 0.02 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.54 1hl4 s VAL 47 Cb -0.09 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1hl4 s VAL 47 CO 0.02 0.18 -0.06 -1.00 0.00 0.00 0.00 175.10 174.24 1hl4 s HIS 48 N 1.23 2.83 0.17 5.22 3.76 0.78 -1.00 115.29 128.29 1hl4 s HIS 48 Ca 0.37 -0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 55.02 1hl4 s HIS 48 Cb -0.17 -1.46 0.12 0.00 1.11 0.00 0.00 32.58 32.18 1hl4 s HIS 48 CO 0.16 0.45 1.71 1.49 -0.85 0.00 0.00 174.74 177.71 1hl4 h GLU 49 N 3.46 0.15 -5.61 1.40 4.81 -0.84 -2.86 114.58 115.10 1hl4 h GLU 49 Ca -0.48 -0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.09 1hl4 h GLU 49 Cb 1.17 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 1hl4 h GLU 49 CO 0.55 0.10 -0.54 -0.06 -0.73 0.00 0.00 179.01 178.33 1hl4 s PHE 50 N -6.17 3.39 -0.21 0.92 0.08 0.00 -4.64 117.98 111.35 1hl4 s PHE 50 Ca -0.13 0.32 -0.04 0.00 0.12 0.00 0.00 56.93 57.20 1hl4 s PHE 50 Cb 0.14 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 1hl4 s PHE 50 CO 0.71 0.49 2.92 0.41 -0.10 0.00 0.00 175.22 179.65 1hl4 n GLY 51 N 2.53 3.60 3.17 4.36 0.00 -0.84 -3.45 105.19 114.56 1hl4 n GLY 51 Ca -0.18 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1hl4 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hl4 s ASP 52 N 1.14 4.61 -0.07 1.61 -1.08 -1.26 -4.94 116.67 116.68 1hl4 s ASP 52 Ca 0.52 -1.13 0.14 0.00 -0.52 0.00 0.00 52.55 51.56 1hl4 s ASP 52 Cb 0.30 -1.67 0.46 0.00 -1.46 0.00 0.00 42.92 40.55 1hl4 s ASP 52 CO -0.08 -0.20 1.39 -3.20 0.52 0.00 0.00 175.17 173.59 1hl4 n ASN 53 N 4.62 3.59 -0.11 -0.34 5.15 -1.26 -2.58 115.26 124.33 1hl4 n ASN 53 Ca -0.15 -2.36 0.09 0.00 -0.60 0.00 0.00 54.58 51.56 1hl4 n ASN 53 Cb 0.45 -0.40 0.43 0.00 -0.53 0.00 0.00 39.78 39.73 1hl4 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1hl4 h THR 54 N 2.48 0.98 -0.37 -0.44 1.35 -1.93 -0.87 112.91 114.11 1hl4 h THR 54 Ca 0.00 -0.20 -0.22 0.00 -0.55 0.00 0.00 66.41 65.45 1hl4 h THR 54 Cb 1.08 0.35 -0.13 0.00 -1.73 0.00 0.00 68.15 67.71 1hl4 h THR 54 CO 0.10 0.10 -0.20 0.00 -0.25 0.00 0.00 175.52 175.28 1hl4 n ALA 55 N -2.48 4.40 0.00 6.62 0.00 -1.26 -5.06 120.51 122.73 1hl4 n ALA 55 Ca 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1hl4 n ALA 55 Cb 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1hl4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 56 N -1.07 -1.44 0.26 0.00 0.00 -0.33 -4.03 105.19 98.57 1hl4 n GLY 56 Ca 0.33 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 45.10 1hl4 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hl4 h THR 58 N 0.00 1.08 0.00 0.00 2.02 -1.90 -2.39 112.91 111.73 1hl4 h THR 58 Ca -0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1hl4 h THR 58 Cb 0.24 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1hl4 h THR 58 CO 0.01 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 1hl4 n SER 59 N -4.57 0.00 0.03 4.18 3.41 -1.11 -2.82 113.62 112.75 1hl4 n SER 59 Ca 0.13 -0.67 0.12 0.00 -0.26 0.00 0.00 58.87 58.18 1hl4 n SER 59 Cb 0.15 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.60 1hl4 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl4 n ALA 60 N -0.85 2.12 -0.34 7.33 0.00 -0.90 -4.39 120.51 123.48 1hl4 n ALA 60 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1hl4 n ALA 60 Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1hl4 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 61 N 1.00 0.29 3.97 0.00 0.00 -1.13 -0.82 105.19 108.51 1hl4 n GLY 61 Ca 0.06 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1hl4 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hl4 s PRO 62 N 0.00 1.36 0.29 1.61 0.05 -1.26 -4.75 135.00 132.29 1hl4 s PRO 62 Ca 0.00 -0.85 -0.30 0.00 0.05 0.00 0.00 61.00 59.90 1hl4 s PRO 62 Cb 0.00 -2.16 -0.12 0.00 0.05 0.00 0.00 34.50 32.26 1hl4 s PRO 62 CO 0.00 -1.76 1.45 0.72 0.05 0.00 0.00 177.00 177.46 1hl4 n HIS 63 N -3.15 2.45 -1.69 0.56 8.25 -1.26 -0.81 115.22 119.57 1hl4 n HIS 63 Ca 0.15 0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 57.59 1hl4 n HIS 63 Cb 0.60 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.18 1hl4 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1hl4 s PHE 64 N -0.33 1.37 -0.46 4.41 5.36 -0.17 -4.52 117.98 123.64 1hl4 s PHE 64 Ca 0.63 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.26 1hl4 s PHE 64 Cb -0.57 -4.23 0.23 0.00 -0.34 0.00 0.00 43.02 38.10 1hl4 s PHE 64 CO 0.53 -5.45 0.69 -1.71 -1.46 0.00 0.00 175.22 167.82 1hl4 n ASN 65 N 7.40 -1.86 0.23 6.13 5.15 -1.26 -1.39 115.26 129.65 1hl4 n ASN 65 Ca 0.20 -2.96 0.10 0.00 -0.60 0.00 0.00 54.58 51.32 1hl4 n ASN 65 Cb 0.41 0.85 0.49 0.00 -0.53 0.00 0.00 39.78 41.00 1hl4 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1hl4 h PRO 66 N 4.37 0.00 0.00 1.20 0.13 -1.92 -3.49 132.00 132.29 1hl4 h PRO 66 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hl4 h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1hl4 h PRO 66 CO 0.31 0.22 -0.02 -0.11 -0.23 0.00 0.00 178.00 178.17 1hl4 n LEU 67 N -3.45 0.54 0.00 1.56 -0.00 -1.26 -5.16 117.00 109.23 1hl4 n LEU 67 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1hl4 n LEU 67 Cb 0.41 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1hl4 n LEU 67 CO 0.33 -0.61 0.00 -2.11 -0.00 0.00 0.00 177.39 175.00 1hl4 n ARG 79 N -2.99 0.00 0.00 1.96 1.85 -1.26 -5.21 116.66 111.01 1hl4 n ARG 79 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1hl4 n ARG 79 Cb 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 1hl4 n ARG 79 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1hl4 n HIS 80 N 0.00 0.00 0.00 2.89 -0.00 -1.26 -4.90 115.22 111.95 1hl4 n HIS 80 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1hl4 n HIS 80 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1hl4 n HIS 80 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1hl4 n VAL 81 N 0.00 0.00 0.96 3.57 0.31 -1.23 -5.38 118.33 116.56 1hl4 n VAL 81 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1hl4 n VAL 81 Cb 0.00 -0.84 0.51 0.00 -0.91 0.00 0.00 33.84 32.60 1hl4 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hl4 n GLY 82 N 2.45 -0.96 3.55 2.92 0.00 -0.49 -4.55 105.19 108.11 1hl4 n GLY 82 Ca 0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1hl4 n GLY 82 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hl4 s ASP 83 N -2.58 5.75 -0.14 1.61 3.84 -1.26 -0.18 116.67 123.71 1hl4 s ASP 83 Ca 0.19 -0.20 0.18 0.00 -0.00 0.00 0.00 52.55 52.71 1hl4 s ASP 83 Cb 0.14 -2.55 0.76 0.00 -1.38 0.00 0.00 42.92 39.89 1hl4 s ASP 83 CO 0.31 -2.10 1.67 0.18 -0.00 0.00 0.00 175.17 175.23 1hl4 n LEU 84 N 11.03 5.04 0.00 2.11 4.77 -0.59 -4.91 117.00 134.45 1hl4 n LEU 84 Ca 0.14 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 1hl4 n LEU 84 Cb 0.50 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1hl4 n LEU 84 CO 0.70 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1hl4 n GLY 85 N 1.05 0.29 3.50 -0.72 0.00 -1.23 -4.86 105.19 103.22 1hl4 n GLY 85 Ca 0.27 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1hl4 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hl4 s ASN 86 N -4.00 3.64 0.28 1.61 0.01 -1.26 -0.34 114.94 114.89 1hl4 s ASN 86 Ca 0.00 -1.09 0.10 0.00 -0.71 0.00 0.00 52.86 51.16 1hl4 s ASN 86 Cb 0.00 -0.32 -0.05 0.00 0.41 0.00 0.00 41.25 41.30 1hl4 s ASN 86 CO 0.00 -0.05 -0.05 0.68 -1.51 0.00 0.00 177.10 176.17 1hl4 s VAL 87 N -2.55 3.08 -0.18 1.60 -7.23 0.23 -4.84 120.40 110.50 1hl4 s VAL 87 Ca 0.31 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1hl4 s VAL 87 Cb -0.02 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.26 1hl4 s VAL 87 CO 0.16 -0.35 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.63 1hl4 s THR 88 N -2.40 1.34 0.10 5.32 2.01 -1.26 -0.51 115.64 120.23 1hl4 s THR 88 Ca 0.32 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 1hl4 s THR 88 Cb -0.05 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 1hl4 s THR 88 CO 0.19 0.15 0.58 0.00 -0.69 0.00 0.00 174.62 174.84 1hl4 s ALA 89 N 1.53 3.57 0.93 7.40 0.00 -0.42 -4.18 121.76 130.60 1hl4 s ALA 89 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1hl4 s ALA 89 Cb -0.16 -2.62 0.19 0.00 0.00 0.00 0.00 23.12 20.53 1hl4 s ALA 89 CO -0.08 0.41 1.17 -0.40 0.00 0.00 0.00 175.76 176.86 1hl4 n ASP 90 N 1.43 0.39 0.16 0.00 5.68 0.11 -2.07 116.55 122.26 1hl4 n ASP 90 Ca -0.09 -1.61 0.19 0.00 -0.50 0.00 0.00 54.79 52.79 1hl4 n ASP 90 Cb 0.51 -0.87 0.78 0.00 -1.14 0.00 0.00 41.12 40.40 1hl4 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1hl4 h LYS 91 N 0.00 0.00 -0.62 0.11 5.09 -1.96 0.21 116.57 119.41 1hl4 h LYS 91 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.36 1hl4 h LYS 91 Cb 1.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.45 1hl4 h LYS 91 CO 0.30 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.41 1hl4 n ASP 92 N -3.55 3.65 -0.56 7.07 8.00 -1.26 -4.86 116.55 125.04 1hl4 n ASP 92 Ca 0.04 -2.22 -0.07 0.00 0.71 0.00 0.00 54.79 53.25 1hl4 n ASP 92 Cb 0.52 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1hl4 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hl4 n GLY 93 N 1.16 0.78 3.38 0.44 0.00 0.74 -4.71 105.19 106.98 1hl4 n GLY 93 Ca 0.21 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1hl4 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hl4 s VAL 94 N -2.27 3.65 -0.29 1.61 1.01 -1.25 -1.36 120.40 121.51 1hl4 s VAL 94 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1hl4 s VAL 94 Cb 0.00 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1hl4 s VAL 94 CO 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 175.10 175.50 1hl4 s ALA 95 N 1.24 2.77 -0.39 5.51 0.00 -0.20 -0.71 121.76 129.98 1hl4 s ALA 95 Ca 0.03 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 1hl4 s ALA 95 Cb -0.14 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1hl4 s ALA 95 CO -0.00 -1.24 0.59 -0.51 0.00 0.00 0.00 175.76 174.60 1hl4 s ASP 96 N 1.23 6.35 -0.09 0.00 1.11 -1.26 -1.13 116.67 122.88 1hl4 s ASP 96 Ca -0.06 -0.12 -0.18 0.00 0.18 0.00 0.00 52.55 52.37 1hl4 s ASP 96 Cb -0.20 -2.30 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1hl4 s ASP 96 CO -0.02 -0.63 0.48 -0.69 1.18 0.00 0.00 175.17 175.49 1hl4 s VAL 97 N 2.63 5.14 -0.09 -1.27 1.01 0.78 -4.94 120.40 123.66 1hl4 s VAL 97 Ca 0.21 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1hl4 s VAL 97 Cb -0.15 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1hl4 s VAL 97 CO 0.16 0.37 0.18 -0.55 0.00 0.00 0.00 175.10 175.26 1hl4 s SER 98 N 0.32 0.65 -0.07 3.32 0.15 -1.26 -1.71 113.70 115.11 1hl4 s SER 98 Ca 0.26 0.39 -0.12 0.00 0.70 0.00 0.00 55.95 57.18 1hl4 s SER 98 Cb -0.16 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1hl4 s SER 98 CO 0.11 -0.24 0.29 -0.63 1.20 0.00 0.00 173.24 173.97 1hl4 s ILE 99 N 2.30 0.02 -0.15 6.45 1.01 0.47 -5.01 121.20 126.30 1hl4 s ILE 99 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1hl4 s ILE 99 Cb -0.12 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1hl4 s ILE 99 CO -0.06 -0.11 -0.19 -1.61 0.00 0.00 0.00 174.94 172.97 1hl4 s GLU 100 N -0.43 3.11 0.01 2.79 2.02 -1.26 -0.58 118.70 124.37 1hl4 s GLU 100 Ca -0.05 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.19 1hl4 s GLU 100 Cb -0.04 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1hl4 s GLU 100 CO 0.02 -0.01 -0.16 0.34 0.02 0.00 0.00 175.26 175.46 1hl4 s ASP 101 N 0.84 1.92 -0.00 -0.19 2.15 -0.60 -4.97 116.67 115.81 1hl4 s ASP 101 Ca -0.06 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.57 1hl4 s ASP 101 Cb -0.15 -0.18 0.05 0.00 -0.30 0.00 0.00 42.92 42.34 1hl4 s ASP 101 CO -0.01 0.15 1.04 -1.20 -0.17 0.00 0.00 175.17 174.97 1hl4 n SER 102 N 2.33 2.16 -0.07 -0.34 7.64 -1.26 0.81 113.62 124.88 1hl4 n SER 102 Ca -0.16 -2.01 -0.09 0.00 1.01 0.00 0.00 58.87 57.62 1hl4 n SER 102 Cb 0.54 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1hl4 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1hl4 n VAL 103 N -0.34 0.90 -1.64 0.44 0.31 -1.26 -4.88 118.33 111.86 1hl4 n VAL 103 Ca 0.02 -0.42 -0.31 0.00 -0.01 0.00 0.00 64.34 63.62 1hl4 n VAL 103 Cb 0.28 -0.92 0.04 0.00 -0.91 0.00 0.00 33.84 32.34 1hl4 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hl4 s ILE 104 N -2.32 4.08 0.15 2.52 -4.36 -1.26 -4.89 121.20 115.11 1hl4 s ILE 104 Ca -0.16 0.70 -0.10 0.00 -0.26 0.00 0.00 60.65 60.83 1hl4 s ILE 104 Cb 0.05 -3.44 -0.00 0.00 1.25 0.00 0.00 42.46 40.32 1hl4 s ILE 104 CO 0.43 -0.86 0.29 -0.55 0.24 0.00 0.00 174.94 174.49 1hl4 s SER 105 N -3.74 0.02 -0.02 4.36 0.15 -1.14 -4.62 113.70 108.71 1hl4 s SER 105 Ca 0.58 -0.76 0.17 0.00 0.70 0.00 0.00 55.95 56.65 1hl4 s SER 105 Cb -0.14 0.43 0.52 0.00 -1.71 0.00 0.00 66.02 65.12 1hl4 s SER 105 CO 0.53 -0.87 1.44 0.18 1.20 0.00 0.00 173.24 175.72 1hl4 n LEU 106 N -0.19 3.64 -3.87 3.45 4.77 -1.26 -1.48 117.00 122.06 1hl4 n LEU 106 Ca -0.10 -2.08 -0.09 0.00 -0.03 0.00 0.00 56.01 53.72 1hl4 n LEU 106 Cb 0.63 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1hl4 n LEU 106 CO 0.23 0.86 0.25 -0.94 -1.33 0.00 0.00 177.39 176.46 1hl4 s SER 107 N -1.02 -0.18 0.74 -1.43 1.04 -1.26 -3.95 113.70 107.64 1hl4 s SER 107 Ca 0.39 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1hl4 s SER 107 Cb 0.21 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1hl4 s SER 107 CO 0.25 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1hl4 n GLY 108 N -0.37 0.44 0.30 7.32 0.00 -1.26 -3.26 105.19 108.36 1hl4 n GLY 108 Ca -0.06 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.17 1hl4 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1hl4 h ASP 109 N 3.46 -0.35 -0.55 1.61 3.58 -2.01 -0.69 116.42 121.48 1hl4 h ASP 109 Ca 0.00 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1hl4 h ASP 109 Cb 0.00 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1hl4 h ASP 109 CO 0.00 -0.21 0.00 1.41 -2.88 0.00 0.00 179.24 177.56 1hl4 n HIS 110 N -5.37 1.90 -1.68 0.28 8.25 -1.26 -4.95 115.22 112.40 1hl4 n HIS 110 Ca 0.16 -0.67 -0.44 0.00 -0.26 0.00 0.00 57.72 56.52 1hl4 n HIS 110 Cb 0.56 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1hl4 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hl4 n ILE 112 N 2.02 0.00 -1.98 0.00 -5.35 -0.55 -4.91 119.36 108.59 1hl4 n ILE 112 Ca 0.11 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.77 1hl4 n ILE 112 Cb 0.32 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1hl4 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1hl4 s ILE 113 N -1.27 3.35 0.00 7.28 1.01 -1.26 -2.06 121.20 128.25 1hl4 s ILE 113 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1hl4 s ILE 113 Cb 0.07 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1hl4 s ILE 113 CO 0.22 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1hl4 n GLY 114 N 4.06 0.63 4.03 6.18 0.00 0.30 -5.01 105.19 115.38 1hl4 n GLY 114 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1hl4 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hl4 s ARG 115 N -0.94 2.30 -0.19 1.61 0.52 -0.88 -1.98 118.95 119.39 1hl4 s ARG 115 Ca 0.00 -1.66 -0.05 0.00 -0.52 0.00 0.00 55.73 53.50 1hl4 s ARG 115 Cb 0.00 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 1hl4 s ARG 115 CO 0.00 -0.85 0.01 0.99 0.02 0.00 0.00 175.30 175.46 1hl4 s THR 116 N -2.67 4.06 -0.08 0.02 2.01 -1.08 0.51 115.64 118.40 1hl4 s THR 116 Ca 0.61 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 62.13 1hl4 s THR 116 Cb -0.06 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1hl4 s THR 116 CO 0.38 0.44 0.55 -0.22 -0.69 0.00 0.00 174.62 175.07 1hl4 s LEU 117 N 0.87 4.32 -0.02 4.42 2.96 0.27 -0.15 118.68 131.35 1hl4 s LEU 117 Ca 0.01 0.97 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1hl4 s LEU 117 Cb -0.14 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 1hl4 s LEU 117 CO 0.02 0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 1hl4 s VAL 118 N 0.43 1.14 -0.21 1.68 1.01 0.45 -1.37 120.40 123.54 1hl4 s VAL 118 Ca 0.29 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1hl4 s VAL 118 Cb -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1hl4 s VAL 118 CO 0.13 0.33 -0.09 0.54 0.00 0.00 0.00 175.10 176.02 1hl4 s VAL 119 N -0.23 2.98 0.35 2.92 0.11 -0.34 -1.79 120.40 124.40 1hl4 s VAL 119 Ca 0.03 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1hl4 s VAL 119 Cb -0.07 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 1hl4 s VAL 119 CO -0.00 0.43 0.58 -1.00 -3.33 0.00 0.00 175.10 171.79 1hl4 s HIS 120 N 1.42 3.50 0.08 1.54 3.76 0.80 -1.47 115.29 124.92 1hl4 s HIS 120 Ca 0.05 0.49 -0.34 0.00 -0.15 0.00 0.00 55.06 55.11 1hl4 s HIS 120 Cb -0.14 -2.01 -0.17 0.00 1.11 0.00 0.00 32.58 31.37 1hl4 s HIS 120 CO -0.06 0.08 1.60 1.49 -0.85 0.00 0.00 174.74 176.99 1hl4 h GLU 121 N 0.92 -0.93 -6.78 1.40 4.81 -0.74 -3.34 114.58 109.91 1hl4 h GLU 121 Ca -0.49 0.06 -0.45 0.00 -0.13 0.00 0.00 59.36 58.35 1hl4 h GLU 121 Cb 1.21 0.21 0.04 0.00 0.63 0.00 0.00 28.75 30.84 1hl4 h GLU 121 CO 0.63 -0.62 -0.05 0.15 -0.73 0.00 0.00 179.01 178.39 1hl4 s LYS 122 N -5.98 2.90 0.68 1.92 1.02 -1.26 -4.79 119.74 114.24 1hl4 s LYS 122 Ca -0.18 -0.51 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 1hl4 s LYS 122 Cb 0.04 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1hl4 s LYS 122 CO 0.62 -0.44 1.22 0.00 -0.92 0.00 0.00 175.35 175.83 1hl4 s ALA 123 N -2.66 2.27 -0.19 5.17 0.00 -1.13 -1.72 121.76 123.49 1hl4 s ALA 123 Ca 0.51 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 1hl4 s ALA 123 Cb -0.10 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1hl4 s ALA 123 CO 0.39 -1.65 1.13 -3.47 0.00 0.00 0.00 175.76 172.15 1hl4 n ASP 124 N -2.30 -0.89 -3.92 0.00 2.03 -1.26 -4.66 116.55 105.54 1hl4 n ASP 124 Ca 0.14 -1.48 -0.27 0.00 0.52 0.00 0.00 54.79 53.70 1hl4 n ASP 124 Cb 0.50 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.28 1hl4 n ASP 124 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1hl4 n SER 142 N 7.43 -2.69 -4.42 1.67 3.41 -1.26 -5.03 113.62 112.74 1hl4 n SER 142 Ca 0.12 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 1hl4 n SER 142 Cb 0.43 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1hl4 n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hl4 s ARG 143 N -2.03 2.93 0.06 4.33 0.52 -1.26 0.02 118.95 123.51 1hl4 s ARG 143 Ca 0.25 -1.14 -0.16 0.00 -0.52 0.00 0.00 55.73 54.17 1hl4 s ARG 143 Cb 0.07 -3.97 -0.21 0.00 0.52 0.00 0.00 34.95 31.37 1hl4 s ARG 143 CO 0.46 -0.82 1.20 -0.07 0.02 0.00 0.00 175.30 176.08 1hl4 h LEU 144 N 8.62 0.76 -7.05 2.53 3.38 -1.57 -3.46 115.31 118.52 1hl4 h LEU 144 Ca -0.27 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 56.96 1hl4 h LEU 144 Cb 1.11 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1hl4 h LEU 144 CO 0.76 1.36 0.17 0.00 0.09 0.00 0.00 178.44 180.82 1hl4 s ALA 145 N -3.44 -1.57 0.32 1.53 0.00 -1.19 -3.97 121.76 113.43 1hl4 s ALA 145 Ca -0.11 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 1hl4 s ALA 145 Cb 0.06 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1hl4 s ALA 145 CO 0.87 -0.63 0.64 0.00 0.00 0.00 0.00 175.76 176.65 1hl4 s GLY 147 N -3.05 -0.42 0.21 0.00 0.00 -0.47 -1.10 107.32 102.49 1hl4 s GLY 147 Ca 0.19 1.18 -0.24 0.00 0.00 0.00 0.00 44.72 45.85 1hl4 s GLY 147 CO 0.11 0.40 0.80 0.14 0.00 0.00 0.00 173.10 174.55 1hl4 s VAL 148 N -2.89 4.39 -0.39 1.40 1.01 -1.26 -0.57 120.40 122.09 1hl4 s VAL 148 Ca 0.06 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.41 1hl4 s VAL 148 Cb -0.01 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1hl4 s VAL 148 CO -0.08 0.36 0.84 -0.63 0.00 0.00 0.00 175.10 175.59 1hl4 s ILE 149 N -1.34 4.65 0.22 2.22 1.01 0.18 -4.47 121.20 123.66 1hl4 s ILE 149 Ca 0.41 0.89 0.08 0.00 0.00 0.00 0.00 60.65 62.02 1hl4 s ILE 149 Cb -0.20 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1hl4 s ILE 149 CO 0.24 -0.55 0.03 -0.83 0.00 0.00 0.00 174.94 173.84 1hl4 s GLY 150 N 1.95 1.65 0.18 6.18 0.00 -0.13 -0.54 107.32 116.61 1hl4 s GLY 150 Ca 0.34 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 1hl4 s GLY 150 CO 0.19 -1.50 1.44 -0.42 0.00 0.00 0.00 173.10 172.82 1hl4 s ILE 151 N -1.99 2.91 0.21 0.90 1.01 -1.26 -1.53 121.20 121.44 1hl4 s ILE 151 Ca 0.30 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.73 1hl4 s ILE 151 Cb -0.08 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1hl4 s ILE 151 CO 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 174.94 175.15 1hl4 s ALA 152 N 0.64 3.01 -2.00 9.38 0.00 0.03 -4.77 121.76 128.04 1hl4 s ALA 152 Ca 0.63 -1.54 0.30 0.00 0.00 0.00 0.00 51.96 51.36 1hl4 s ALA 152 Cb -0.40 -0.73 1.80 0.00 0.00 0.00 0.00 23.12 23.79 1hl4 s ALA 152 CO 0.35 0.40 2.13 0.94 0.00 0.00 0.00 175.76 179.59