#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hl4 s THR 2 N 0.00 4.45 0.04 0.00 -1.32 -0.84 -4.91 115.64 113.05 1hl4 s THR 2 Ca 0.00 1.38 0.05 0.00 -1.21 0.00 0.00 61.69 61.91 1hl4 s THR 2 Cb 0.00 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.33 1hl4 s THR 2 CO 0.00 -0.24 -0.14 -0.54 -2.21 0.00 0.00 174.62 171.49 1hl4 s LYS 3 N -3.01 0.94 0.15 7.08 1.02 -1.26 -2.22 119.74 122.45 1hl4 s LYS 3 Ca 0.59 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1hl4 s LYS 3 Cb -0.10 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.22 1hl4 s LYS 3 CO 0.15 0.23 -0.00 0.00 -0.92 0.00 0.00 175.35 174.81 1hl4 s ALA 4 N -0.83 1.21 0.02 5.17 0.00 -0.17 0.09 121.76 127.25 1hl4 s ALA 4 Ca 0.02 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1hl4 s ALA 4 Cb -0.08 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1hl4 s ALA 4 CO 0.01 -0.33 0.29 0.54 0.00 0.00 0.00 175.76 176.28 1hl4 s VAL 5 N -3.71 0.08 -0.02 0.00 0.11 -0.53 -0.47 120.40 115.85 1hl4 s VAL 5 Ca 0.22 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1hl4 s VAL 5 Cb 0.06 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1hl4 s VAL 5 CO 0.02 -0.34 0.02 0.00 -3.33 0.00 0.00 175.10 171.47 1hl4 s VAL 7 N 1.05 5.33 -0.19 0.00 1.01 -1.26 -1.20 120.40 125.13 1hl4 s VAL 7 Ca -0.09 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1hl4 s VAL 7 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1hl4 s VAL 7 CO -0.03 0.29 0.36 -0.76 0.00 0.00 0.00 175.10 174.96 1hl4 s LEU 8 N 1.48 4.18 0.00 3.92 2.01 0.51 -3.51 118.68 127.28 1hl4 s LEU 8 Ca 0.07 0.50 -0.10 0.00 0.01 0.00 0.00 54.13 54.62 1hl4 s LEU 8 Cb -0.15 -2.46 0.01 0.00 0.01 0.00 0.00 46.19 43.60 1hl4 s LEU 8 CO 0.08 -0.02 0.20 -0.54 1.01 0.00 0.00 176.35 177.08 1hl4 s LYS 9 N 1.03 0.56 0.00 1.70 1.02 -0.79 -1.98 119.74 121.29 1hl4 s LYS 9 Ca 0.18 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1hl4 s LYS 9 Cb -0.14 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1hl4 s LYS 9 CO 0.07 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1hl4 n GLY 10 N 1.30 5.29 0.10 -3.33 0.00 -1.24 -1.51 105.19 105.81 1hl4 n GLY 10 Ca -0.22 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 0.41 -0.12 1.61 3.32 -1.92 -3.47 116.42 116.25 1hl4 h ASP 11 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1hl4 h ASP 11 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1hl4 h ASP 11 CO 0.00 1.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.47 1hl4 n GLY 12 N 1.52 0.66 0.66 2.75 0.00 -1.26 -4.99 105.19 104.53 1hl4 n GLY 12 Ca -0.08 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 1.89 -2.03 1.61 -0.04 -1.26 -4.95 135.00 130.23 1hl4 n PRO 13 Ca 0.00 -1.32 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 1hl4 n PRO 13 Cb 0.00 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1hl4 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hl4 s VAL 14 N -1.87 3.29 -0.06 0.52 1.01 -1.26 -4.35 120.40 117.69 1hl4 s VAL 14 Ca 0.35 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1hl4 s VAL 14 Cb 0.20 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1hl4 s VAL 14 CO 0.30 -0.01 0.29 0.00 0.00 0.00 0.00 175.10 175.68 1hl4 s GLN 15 N 2.68 0.50 0.05 2.72 -2.07 -0.92 -3.72 119.66 118.89 1hl4 s GLN 15 Ca 0.71 0.06 -0.28 0.00 -1.82 0.00 0.00 55.36 54.03 1hl4 s GLN 15 Cb -0.37 0.23 0.09 0.00 -1.09 0.00 0.00 33.01 31.87 1hl4 s GLN 15 CO 0.30 -0.11 0.97 0.20 -1.32 0.00 0.00 175.29 175.33 1hl4 s GLY 16 N -0.66 -0.36 -0.10 2.60 0.00 -0.84 -0.73 107.32 107.24 1hl4 s GLY 16 Ca -0.08 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.34 1hl4 s GLY 16 CO 0.02 0.20 -0.17 -0.42 0.00 0.00 0.00 173.10 172.73 1hl4 s ILE 17 N -3.09 1.58 -0.09 0.90 1.01 -0.67 -0.36 121.20 120.49 1hl4 s ILE 17 Ca 0.09 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1hl4 s ILE 17 Cb -0.01 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1hl4 s ILE 17 CO -0.04 0.46 -0.20 -0.63 0.00 0.00 0.00 174.94 174.52 1hl4 s ILE 18 N 0.72 1.76 0.04 2.92 -1.09 -0.34 -2.08 121.20 123.12 1hl4 s ILE 18 Ca -0.12 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1hl4 s ILE 18 Cb -0.16 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1hl4 s ILE 18 CO 0.03 0.49 0.09 0.20 -1.23 0.00 0.00 174.94 174.52 1hl4 s ASN 19 N 0.40 5.64 -0.02 3.58 -0.87 0.32 -1.05 114.94 122.94 1hl4 s ASN 19 Ca -0.16 0.08 0.04 0.00 -1.57 0.00 0.00 52.86 51.24 1hl4 s ASN 19 Cb -0.17 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.25 39.48 1hl4 s ASN 19 CO 0.07 0.22 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.33 1hl4 s PHE 20 N -1.30 1.22 -0.08 2.20 0.40 0.38 -1.41 117.98 119.38 1hl4 s PHE 20 Ca 0.26 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1hl4 s PHE 20 Cb -0.12 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1hl4 s PHE 20 CO 0.18 -0.08 0.21 -2.00 0.70 0.00 0.00 175.22 174.23 1hl4 s GLU 21 N -0.04 0.23 -0.09 0.44 2.12 0.35 -1.00 118.70 120.70 1hl4 s GLU 21 Ca 0.00 0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 1hl4 s GLU 21 Cb -0.08 0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.41 1hl4 s GLU 21 CO 0.00 -0.06 0.08 -1.14 -0.54 0.00 0.00 175.26 173.60 1hl4 s GLN 22 N 0.40 -0.02 0.06 4.30 0.74 -0.94 0.21 119.66 124.41 1hl4 s GLN 22 Ca -0.02 0.22 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 1hl4 s GLN 22 Cb -0.04 -0.99 -0.23 0.00 1.10 0.00 0.00 33.01 32.86 1hl4 s GLN 22 CO -0.02 -0.46 1.18 1.57 -0.55 0.00 0.00 175.29 177.02 1hl4 h LYS 23 N 8.43 0.66 -5.43 1.67 5.09 -1.83 -2.23 116.57 122.93 1hl4 h LYS 23 Ca -0.13 -0.70 -0.43 0.00 0.09 0.00 0.00 60.65 59.49 1hl4 h LYS 23 Cb 1.13 0.19 -0.21 0.00 0.10 0.00 0.00 32.23 33.44 1hl4 h LYS 23 CO 0.20 1.29 -0.78 -1.21 -2.09 0.00 0.00 179.45 176.86 1hl4 s GLU 24 N -3.34 0.88 0.65 0.07 8.01 -1.26 -4.06 118.70 119.65 1hl4 s GLU 24 Ca -0.10 -1.02 0.42 0.00 0.01 0.00 0.00 54.97 54.28 1hl4 s GLU 24 Cb 0.06 -0.89 2.26 0.00 -4.31 0.00 0.00 34.13 31.25 1hl4 s GLU 24 CO 0.90 0.19 2.32 0.66 0.01 0.00 0.00 175.26 179.35 1hl4 h SER 25 N 4.15 0.00 -0.25 -0.19 4.64 -1.99 0.34 113.55 120.25 1hl4 h SER 25 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1hl4 h SER 25 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1hl4 h SER 25 CO 0.42 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.92 1hl4 n ASN 26 N -3.14 3.10 -4.76 4.97 6.94 -1.26 -4.95 115.26 116.16 1hl4 n ASN 26 Ca -0.03 -2.44 -0.25 0.00 -0.02 0.00 0.00 54.58 51.84 1hl4 n ASN 26 Cb 0.10 -0.33 0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1hl4 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1hl4 s GLY 27 N -1.47 1.74 0.58 4.83 0.00 0.12 -5.08 107.32 108.03 1hl4 s GLY 27 Ca 0.28 -1.20 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1hl4 s GLY 27 CO 0.10 -0.72 0.97 2.56 0.00 0.00 0.00 173.10 176.02 1hl4 s PRO 28 N -5.26 3.63 -0.25 2.90 0.04 -1.26 -4.88 135.00 129.92 1hl4 s PRO 28 Ca 0.63 0.66 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1hl4 s PRO 28 Cb -0.08 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1hl4 s PRO 28 CO 0.45 -0.46 0.10 0.08 0.04 0.00 0.00 177.00 177.21 1hl4 s VAL 29 N -3.03 4.61 0.00 -0.36 1.01 0.13 -4.45 120.40 118.32 1hl4 s VAL 29 Ca 0.54 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 1hl4 s VAL 29 Cb -0.11 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1hl4 s VAL 29 CO 0.50 0.34 0.93 -1.59 0.00 0.00 0.00 175.10 175.28 1hl4 s LYS 30 N 1.45 4.55 -0.04 2.72 0.00 0.13 -1.57 119.74 126.98 1hl4 s LYS 30 Ca 0.06 1.34 0.04 0.00 0.00 0.00 0.00 55.97 57.40 1hl4 s LYS 30 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 37.83 34.23 1hl4 s LYS 30 CO 0.05 -0.00 -0.15 0.54 0.00 0.00 0.00 175.35 175.79 1hl4 s VAL 31 N 0.86 1.26 0.06 1.79 0.11 0.00 -0.50 120.40 123.98 1hl4 s VAL 31 Ca 0.49 -0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 58.67 1hl4 s VAL 31 Cb -0.21 -1.10 0.08 0.00 -1.53 0.00 0.00 36.38 33.62 1hl4 s VAL 31 CO 0.27 0.37 0.69 -1.66 -3.33 0.00 0.00 175.10 171.43 1hl4 s TRP 32 N 0.18 -0.54 -5.00 1.54 -2.14 -0.50 -0.46 118.94 112.03 1hl4 s TRP 32 Ca -0.06 0.55 0.00 0.00 2.66 0.00 0.00 56.10 59.25 1hl4 s TRP 32 Cb -0.12 0.51 0.00 0.00 -3.10 0.00 0.00 33.47 30.76 1hl4 s TRP 32 CO 0.02 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 1hl4 n GLY 33 N 0.06 -0.17 3.10 3.67 0.00 -0.77 0.12 105.19 111.20 1hl4 n GLY 33 Ca -0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 0.09 -0.05 1.61 0.15 -0.88 -0.89 113.70 109.73 1hl4 s SER 34 Ca 0.00 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1hl4 s SER 34 Cb 0.00 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1hl4 s SER 34 CO 0.00 -0.42 -0.06 -0.63 1.20 0.00 0.00 173.24 173.32 1hl4 s ILE 35 N -1.86 0.66 0.45 6.45 1.01 0.30 -1.67 121.20 126.54 1hl4 s ILE 35 Ca -0.11 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1hl4 s ILE 35 Cb -0.05 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 1hl4 s ILE 35 CO -0.01 0.25 0.18 -1.59 0.00 0.00 0.00 174.94 173.77 1hl4 s LYS 36 N 0.78 2.21 -0.43 2.79 -2.85 0.09 0.41 119.74 122.74 1hl4 s LYS 36 Ca -0.12 -1.97 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 1hl4 s LYS 36 Cb -0.14 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1hl4 s LYS 36 CO 0.01 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1hl4 n GLY 37 N -1.32 0.69 3.91 0.59 0.00 -1.01 -2.17 105.19 105.88 1hl4 n GLY 37 Ca -0.04 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.91 4.35 0.36 0.99 1.02 -0.76 -4.17 118.68 119.55 1hl4 s LEU 38 Ca 0.00 0.35 -0.27 0.00 0.02 0.00 0.00 54.13 54.23 1hl4 s LEU 38 Cb 0.00 -2.92 -0.09 0.00 0.02 0.00 0.00 46.19 43.20 1hl4 s LEU 38 CO 0.00 0.18 1.20 0.42 0.02 0.00 0.00 176.35 178.17 1hl4 s THR 39 N -1.48 3.06 0.25 5.49 -4.23 -1.26 -4.01 115.64 113.46 1hl4 s THR 39 Ca 0.34 0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 61.53 1hl4 s THR 39 Cb -0.13 -3.58 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 1hl4 s THR 39 CO 0.25 0.16 1.09 1.21 -0.54 0.00 0.00 174.62 176.79 1hl4 n GLU 40 N 0.49 1.37 0.00 3.99 2.13 -1.26 -4.67 120.64 122.69 1hl4 n GLU 40 Ca 0.02 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1hl4 n GLU 40 Cb 0.45 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 1.52 -0.47 3.79 8.31 0.00 -0.67 -4.94 105.19 112.73 1hl4 n GLY 41 Ca 0.11 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 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 4.33 -0.03 0.99 1.02 -1.26 -1.53 118.68 122.20 1hl4 s LEU 42 Ca 0.00 1.73 -0.01 0.00 0.02 0.00 0.00 54.13 55.86 1hl4 s LEU 42 Cb 0.00 -3.93 0.03 0.00 0.02 0.00 0.00 46.19 42.31 1hl4 s LEU 42 CO 0.00 -0.05 0.05 -1.00 0.02 0.00 0.00 176.35 175.37 1hl4 s HIS 43 N -1.61 0.04 0.40 0.29 3.76 -0.93 -2.93 115.29 114.31 1hl4 s HIS 43 Ca 0.49 0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 55.35 1hl4 s HIS 43 Cb -0.18 -0.38 -0.11 0.00 1.11 0.00 0.00 32.58 33.03 1hl4 s HIS 43 CO 0.23 -0.15 1.24 0.41 -0.85 0.00 0.00 174.74 175.61 1hl4 n GLY 44 N 4.84 0.44 2.61 -2.22 0.00 -0.62 -0.84 105.19 109.41 1hl4 n GLY 44 Ca -0.13 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.18 0.81 0.03 1.61 5.36 0.20 -0.32 117.98 124.49 1hl4 s PHE 45 Ca 0.60 -1.19 0.04 0.00 -0.96 0.00 0.00 56.93 55.42 1hl4 s PHE 45 Cb -0.53 -1.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1hl4 s PHE 45 CO 0.59 -0.85 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.37 1hl4 s HIS 46 N 1.92 1.06 -0.27 10.12 3.76 -0.33 -2.62 115.29 128.92 1hl4 s HIS 46 Ca 0.09 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.54 1hl4 s HIS 46 Cb -0.16 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 1hl4 s HIS 46 CO -0.33 0.01 0.38 0.08 -0.85 0.00 0.00 174.74 174.04 1hl4 s VAL 47 N -0.73 5.16 0.27 -0.90 1.01 -0.32 -0.47 120.40 124.42 1hl4 s VAL 47 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1hl4 s VAL 47 Cb -0.07 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1hl4 s VAL 47 CO 0.01 0.13 0.46 -1.00 0.00 0.00 0.00 175.10 174.70 1hl4 s HIS 48 N 2.09 3.48 0.15 5.22 3.76 0.25 -0.69 115.29 129.56 1hl4 s HIS 48 Ca 0.15 0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 55.22 1hl4 s HIS 48 Cb -0.16 -1.86 0.05 0.00 1.11 0.00 0.00 32.58 31.72 1hl4 s HIS 48 CO 0.10 0.28 1.72 1.49 -0.85 0.00 0.00 174.74 177.47 1hl4 h GLU 49 N 1.42 0.12 -5.97 1.40 4.81 -0.92 -2.53 114.58 112.91 1hl4 h GLU 49 Ca -0.49 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 1hl4 h GLU 49 Cb 1.21 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 1hl4 h GLU 49 CO 0.64 0.08 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.32 1hl4 s PHE 50 N -6.18 3.15 -0.15 0.92 0.08 0.57 -4.64 117.98 111.72 1hl4 s PHE 50 Ca -0.13 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 1hl4 s PHE 50 Cb 0.12 -1.79 -0.10 0.00 -0.57 0.00 0.00 43.02 40.68 1hl4 s PHE 50 CO 0.70 0.46 3.02 0.41 -0.10 0.00 0.00 175.22 179.71 1hl4 n GLY 51 N 2.17 3.40 3.13 4.36 0.00 -0.78 -3.56 105.19 113.92 1hl4 n GLY 51 Ca -0.19 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 1.39 5.00 -0.20 1.61 -1.08 -1.26 -4.95 116.67 117.18 1hl4 s ASP 52 Ca 0.52 -1.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.06 1hl4 s ASP 52 Cb 0.29 -1.74 0.79 0.00 -1.46 0.00 0.00 42.92 40.80 1hl4 s ASP 52 CO -0.06 -0.37 1.71 -3.20 0.52 0.00 0.00 175.17 173.77 1hl4 n ASN 53 N 4.57 5.42 -0.02 -0.34 5.15 -1.26 -2.85 115.26 125.92 1hl4 n ASN 53 Ca -0.07 -2.77 0.12 0.00 -0.60 0.00 0.00 54.58 51.25 1hl4 n ASN 53 Cb 0.42 -0.65 0.53 0.00 -0.53 0.00 0.00 39.78 39.56 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 4.03 0.91 -0.35 -0.44 1.35 -1.93 -1.39 112.91 115.09 1hl4 h THR 54 Ca 0.00 -0.11 -0.25 0.00 -0.55 0.00 0.00 66.41 65.50 1hl4 h THR 54 Cb 1.81 0.56 -0.18 0.00 -1.73 0.00 0.00 68.15 68.61 1hl4 h THR 54 CO 0.40 0.06 -0.50 0.00 -0.25 0.00 0.00 175.52 175.23 1hl4 n ALA 55 N -2.53 4.35 0.00 6.62 0.00 -1.26 -5.06 120.51 122.62 1hl4 n ALA 55 Ca 0.07 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1hl4 n ALA 55 Cb 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.97 -1.85 0.35 0.00 0.00 -0.52 -4.18 105.19 98.01 1hl4 n GLY 56 Ca 0.32 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 0.77 0.00 0.00 2.02 -1.91 -1.60 112.91 112.19 1hl4 h THR 58 Ca 0.16 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1hl4 h THR 58 Cb 0.68 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1hl4 h THR 58 CO -0.00 0.05 0.00 -1.54 0.37 0.00 0.00 175.52 174.39 1hl4 n SER 59 N -5.08 0.00 0.13 4.18 3.41 -0.86 -1.79 113.62 113.61 1hl4 n SER 59 Ca 0.04 0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 1hl4 n SER 59 Cb 0.21 -0.10 0.42 0.00 -0.26 0.00 0.00 64.21 64.48 1hl4 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hl4 h ALA 60 N 2.14 1.00 -0.38 7.33 0.00 -1.13 -3.39 119.26 124.82 1hl4 h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hl4 h ALA 60 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hl4 h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1hl4 n GLY 61 N 0.84 0.12 3.14 0.00 0.00 -0.74 -0.32 105.19 108.23 1hl4 n GLY 61 Ca 0.04 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 1hl4 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hl4 n PRO 62 N 0.00 -1.74 -2.13 1.61 -0.04 -1.26 -4.64 135.00 126.79 1hl4 n PRO 62 Ca 0.00 -1.64 -0.39 0.00 -0.04 0.00 0.00 63.50 61.44 1hl4 n PRO 62 Cb 0.00 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1hl4 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hl4 s HIS 63 N -3.16 2.85 -0.43 0.54 3.76 -1.26 -0.67 115.29 116.91 1hl4 s HIS 63 Ca 0.62 1.47 -0.27 0.00 -0.15 0.00 0.00 55.06 56.74 1hl4 s HIS 63 Cb -0.03 -3.55 -0.06 0.00 1.11 0.00 0.00 32.58 30.05 1hl4 s HIS 63 CO 0.45 -1.84 2.29 0.12 -0.85 0.00 0.00 174.74 174.92 1hl4 s PHE 64 N -1.36 1.17 -0.41 1.40 5.36 0.13 -4.24 117.98 120.03 1hl4 s PHE 64 Ca 0.60 1.23 0.08 0.00 -0.96 0.00 0.00 56.93 57.88 1hl4 s PHE 64 Cb -0.34 -3.73 0.27 0.00 -0.34 0.00 0.00 43.02 38.88 1hl4 s PHE 64 CO 0.43 -2.88 0.58 -1.71 -1.46 0.00 0.00 175.22 170.18 1hl4 n ASN 65 N 14.46 0.68 0.22 6.13 5.15 -1.26 -1.89 115.26 138.75 1hl4 n ASN 65 Ca 0.33 -2.83 0.15 0.00 -0.60 0.00 0.00 54.58 51.64 1hl4 n ASN 65 Cb 0.52 -0.64 0.61 0.00 -0.53 0.00 0.00 39.78 39.74 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 3.83 0.00 -0.46 1.20 0.13 -1.95 -2.40 132.00 132.34 1hl4 h PRO 66 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1hl4 h PRO 66 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1hl4 h PRO 66 CO 0.51 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 1hl4 n LEU 67 N -2.78 2.76 -4.12 1.56 4.77 -1.26 -4.98 117.00 112.95 1hl4 n LEU 67 Ca 0.01 -1.33 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 1hl4 n LEU 67 Cb 0.29 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1hl4 n LEU 67 CO 0.25 0.66 -0.28 -1.20 -1.33 0.00 0.00 177.39 175.49 1hl4 n SER 68 N 1.01 -0.33 -4.99 -1.43 7.64 -0.91 -4.97 113.62 109.64 1hl4 n SER 68 Ca 0.18 -1.10 -0.20 0.00 1.01 0.00 0.00 58.87 58.76 1hl4 n SER 68 Cb 0.45 -2.51 0.06 0.00 -1.01 0.00 0.00 64.21 61.20 1hl4 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl4 s ARG 69 N -6.88 2.32 0.51 1.43 0.52 -1.26 -5.09 118.95 110.49 1hl4 s ARG 69 Ca 0.12 -1.52 -0.14 0.00 -0.52 0.00 0.00 55.73 53.68 1hl4 s ARG 69 Cb -0.07 -2.63 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 1hl4 s ARG 69 CO 0.93 -0.84 0.94 0.15 0.02 0.00 0.00 175.30 176.51 1hl4 s LYS 70 N -4.67 3.82 0.30 3.54 1.02 -1.26 -4.76 119.74 117.73 1hl4 s LYS 70 Ca 0.61 0.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.09 1hl4 s LYS 70 Cb -0.06 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1hl4 s LYS 70 CO 0.39 -0.28 1.18 -1.58 -0.92 0.00 0.00 175.35 174.13 1hl4 s HIS 71 N -2.69 3.37 0.00 3.18 5.65 -0.93 -2.77 115.29 121.10 1hl4 s HIS 71 Ca 0.56 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.46 1hl4 s HIS 71 Cb -0.10 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 1hl4 s HIS 71 CO 0.37 -1.06 0.00 0.41 -0.65 0.00 0.00 174.74 173.81 1hl4 n GLY 72 N 1.02 3.14 3.93 1.59 0.00 -1.24 -4.38 105.19 109.26 1hl4 n GLY 72 Ca -0.01 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1hl4 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hl4 s GLY 73 N -0.99 1.63 0.35 -0.02 0.00 -1.25 -4.75 107.32 102.29 1hl4 s GLY 73 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.94 1hl4 s GLY 73 CO 0.00 -0.56 1.92 -2.55 0.00 0.00 0.00 173.10 171.91 1hl4 h PRO 74 N -0.11 0.76 0.00 2.90 0.11 -1.87 -1.09 132.00 132.69 1hl4 h PRO 74 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hl4 h PRO 74 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hl4 h PRO 74 CO 0.59 0.50 0.00 1.63 -0.21 0.00 0.00 178.00 180.51 1hl4 n LYS 75 N -4.50 0.12 -2.68 1.05 5.02 -1.26 -4.84 118.16 111.05 1hl4 n LYS 75 Ca 0.13 0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 56.23 1hl4 n LYS 75 Cb 0.30 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1hl4 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hl4 s ASP 76 N -3.69 7.40 0.17 4.39 1.01 -0.42 -4.93 116.67 120.59 1hl4 s ASP 76 Ca 0.10 1.99 -0.12 0.00 0.71 0.00 0.00 52.55 55.23 1hl4 s ASP 76 Cb 0.13 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1hl4 s ASP 76 CO 0.47 -0.03 1.69 -0.08 0.21 0.00 0.00 175.17 177.43 1hl4 h GLU 77 N 3.63 0.92 -5.41 8.23 4.57 -1.88 -3.38 114.58 121.26 1hl4 h GLU 77 Ca -0.46 -0.21 -0.65 0.00 -1.18 0.00 0.00 59.36 56.86 1hl4 h GLU 77 Cb 1.20 -0.13 -0.15 0.00 -0.16 0.00 0.00 28.75 29.51 1hl4 h GLU 77 CO 0.66 0.84 0.27 -2.00 -1.18 0.00 0.00 179.01 177.60 1hl4 s GLU 78 N -5.36 3.24 0.10 1.92 2.56 -1.26 -4.98 118.70 114.93 1hl4 s GLU 78 Ca -0.13 -0.53 -0.26 0.00 0.00 0.00 0.00 54.97 54.06 1hl4 s GLU 78 Cb 0.13 -4.05 0.08 0.00 2.00 0.00 0.00 34.13 32.29 1hl4 s GLU 78 CO 0.81 -1.28 0.84 -0.98 -0.56 0.00 0.00 175.26 174.09 1hl4 s ARG 79 N 3.18 1.11 0.50 4.30 1.70 -1.11 -3.66 118.95 124.96 1hl4 s ARG 79 Ca 0.23 -0.51 -0.19 0.00 -0.47 0.00 0.00 55.73 54.80 1hl4 s ARG 79 Cb -0.15 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.59 1hl4 s ARG 79 CO 0.16 -0.50 1.00 -1.01 -1.08 0.00 0.00 175.30 173.88 1hl4 s HIS 80 N -3.37 3.23 0.26 5.89 3.76 -1.23 -4.68 115.29 119.15 1hl4 s HIS 80 Ca 0.07 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 56.50 1hl4 s HIS 80 Cb -0.02 -2.91 0.48 0.00 1.11 0.00 0.00 32.58 31.25 1hl4 s HIS 80 CO -0.05 -0.52 1.81 0.28 -0.85 0.00 0.00 174.74 175.40 1hl4 h VAL 81 N 1.27 0.87 0.00 -0.90 2.07 -1.88 -2.13 116.25 115.54 1hl4 h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1hl4 h VAL 81 Cb 1.20 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1hl4 h VAL 81 CO 0.60 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1hl4 n GLY 82 N -1.33 -0.71 3.53 2.17 0.00 -0.79 -4.46 105.19 103.61 1hl4 n GLY 82 Ca 0.16 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1hl4 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hl4 s ASP 83 N -1.79 6.51 0.00 1.61 1.01 -0.80 -1.18 116.67 122.03 1hl4 s ASP 83 Ca 0.24 -1.53 0.19 0.00 0.71 0.00 0.00 52.55 52.15 1hl4 s ASP 83 Cb 0.11 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 42.01 1hl4 s ASP 83 CO 0.18 -1.43 1.42 0.18 0.21 0.00 0.00 175.17 175.74 1hl4 n LEU 84 N 8.39 3.55 0.00 1.23 4.77 -1.08 -3.49 117.00 130.38 1hl4 n LEU 84 Ca 0.29 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1hl4 n LEU 84 Cb 0.50 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1hl4 n LEU 84 CO 0.63 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 1hl4 n GLY 85 N 1.27 1.88 3.16 -0.72 0.00 -1.19 -4.79 105.19 104.79 1hl4 n GLY 85 Ca 0.20 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 1.38 0.18 1.61 0.01 -1.26 -0.63 114.94 112.23 1hl4 s ASN 86 Ca 0.00 -0.77 0.11 0.00 -0.71 0.00 0.00 52.86 51.48 1hl4 s ASN 86 Cb 0.00 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 1hl4 s ASN 86 CO 0.00 -0.25 -0.21 0.68 -1.51 0.00 0.00 177.10 175.81 1hl4 s VAL 87 N -2.27 2.55 -0.21 1.60 -7.23 -0.02 -4.89 120.40 109.94 1hl4 s VAL 87 Ca 0.03 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1hl4 s VAL 87 Cb -0.04 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1hl4 s VAL 87 CO 0.00 -0.07 0.02 -0.89 -0.31 0.00 0.00 175.10 173.85 1hl4 s THR 88 N -1.56 4.11 -0.12 5.32 2.01 -1.26 -2.19 115.64 121.94 1hl4 s THR 88 Ca 0.21 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1hl4 s THR 88 Cb -0.09 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1hl4 s THR 88 CO 0.10 0.42 0.28 0.00 -0.69 0.00 0.00 174.62 174.73 1hl4 s ALA 89 N 1.02 3.67 1.00 7.40 0.00 -0.58 -3.91 121.76 130.36 1hl4 s ALA 89 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1hl4 s ALA 89 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1hl4 s ALA 89 CO 0.02 0.26 0.07 -0.40 0.00 0.00 0.00 175.76 175.71 1hl4 n ASP 90 N 2.95 -0.10 0.13 0.00 5.68 0.78 -1.68 116.55 124.32 1hl4 n ASP 90 Ca -0.14 -0.98 0.13 0.00 -0.50 0.00 0.00 54.79 53.30 1hl4 n ASP 90 Cb 0.52 -0.05 0.47 0.00 -1.14 0.00 0.00 41.12 40.92 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 -0.63 0.11 2.10 -1.97 -2.20 116.57 113.99 1hl4 h LYS 91 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1hl4 h LYS 91 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1hl4 h LYS 91 CO 0.02 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.22 1hl4 n ASP 92 N -2.31 3.98 -0.05 7.07 8.00 -1.26 -4.91 116.55 127.07 1hl4 n ASP 92 Ca 0.03 -2.37 -0.01 0.00 0.71 0.00 0.00 54.79 53.16 1hl4 n ASP 92 Cb 0.30 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 0.98 0.48 3.55 0.44 0.00 -0.83 -4.72 105.19 105.09 1hl4 n GLY 93 Ca 0.21 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.95 4.53 -0.33 1.61 1.01 -1.26 -1.83 120.40 122.18 1hl4 s VAL 94 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1hl4 s VAL 94 Cb 0.00 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.38 1hl4 s VAL 94 CO 0.00 0.41 0.06 0.00 0.00 0.00 0.00 175.10 175.57 1hl4 s ALA 95 N 0.91 2.92 0.00 5.51 0.00 0.16 -0.15 121.76 131.11 1hl4 s ALA 95 Ca 0.03 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 49.68 1hl4 s ALA 95 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1hl4 s ALA 95 CO 0.03 -1.44 1.08 -0.51 0.00 0.00 0.00 175.76 174.92 1hl4 s ASP 96 N 1.39 7.23 -0.13 0.00 1.11 -1.25 -0.54 116.67 124.47 1hl4 s ASP 96 Ca -0.01 1.78 -0.01 0.00 0.18 0.00 0.00 52.55 54.50 1hl4 s ASP 96 Cb -0.20 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.19 1hl4 s ASP 96 CO -0.02 -0.38 -0.10 -0.69 1.18 0.00 0.00 175.17 175.16 1hl4 s VAL 97 N 1.25 3.35 -0.27 -1.27 1.01 -0.07 -4.63 120.40 119.77 1hl4 s VAL 97 Ca 0.54 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1hl4 s VAL 97 Cb -0.24 -2.42 0.14 0.00 0.00 0.00 0.00 36.38 33.86 1hl4 s VAL 97 CO 0.27 0.52 0.36 -0.55 0.00 0.00 0.00 175.10 175.70 1hl4 s SER 98 N 0.25 0.73 0.06 3.32 0.15 -1.25 -1.85 113.70 115.10 1hl4 s SER 98 Ca -0.07 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1hl4 s SER 98 Cb -0.15 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 65.05 1hl4 s SER 98 CO 0.04 -0.35 -0.10 -0.63 1.20 0.00 0.00 173.24 173.41 1hl4 s ILE 99 N 2.49 0.75 -0.06 6.45 1.01 0.39 -5.01 121.20 127.23 1hl4 s ILE 99 Ca 0.10 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1hl4 s ILE 99 Cb -0.14 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1hl4 s ILE 99 CO -0.26 -0.42 -0.18 -0.70 0.00 0.00 0.00 174.94 173.39 1hl4 s GLU 100 N -2.00 2.03 0.00 2.79 2.12 -1.26 -0.82 118.70 121.56 1hl4 s GLU 100 Ca -0.04 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.68 1hl4 s GLU 100 Cb -0.08 -1.69 -0.01 0.00 0.26 0.00 0.00 34.13 32.62 1hl4 s GLU 100 CO 0.00 0.20 -0.05 0.34 -0.54 0.00 0.00 175.26 175.21 1hl4 s ASP 101 N 0.21 0.62 -0.10 -1.70 2.15 -0.61 -4.95 116.67 112.28 1hl4 s ASP 101 Ca -0.09 -0.17 0.14 0.00 0.43 0.00 0.00 52.55 52.86 1hl4 s ASP 101 Cb -0.14 -0.04 0.27 0.00 -0.30 0.00 0.00 42.92 42.71 1hl4 s ASP 101 CO 0.04 0.01 1.17 -1.20 -0.17 0.00 0.00 175.17 175.02 1hl4 n SER 102 N 2.68 2.58 -0.08 -0.34 7.64 -1.26 0.20 113.62 125.04 1hl4 n SER 102 Ca -0.15 -2.77 -0.12 0.00 1.01 0.00 0.00 58.87 56.84 1hl4 n SER 102 Cb 0.58 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.95 0.89 -1.21 0.44 0.31 -1.26 -4.95 118.33 111.61 1hl4 n VAL 103 Ca 0.13 -0.32 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 1hl4 n VAL 103 Cb 0.59 -1.20 0.11 0.00 -0.91 0.00 0.00 33.84 32.43 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 -2.31 3.10 0.10 2.52 -4.36 -1.26 -4.88 121.20 114.12 1hl4 s ILE 104 Ca -0.21 0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 60.42 1hl4 s ILE 104 Cb 0.06 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.97 1hl4 s ILE 104 CO 0.34 -0.47 0.27 -0.55 0.24 0.00 0.00 174.94 174.77 1hl4 s SER 105 N -3.35 -0.00 -0.01 4.36 0.15 -1.19 -4.70 113.70 108.96 1hl4 s SER 105 Ca 0.62 -0.55 0.19 0.00 0.70 0.00 0.00 55.95 56.91 1hl4 s SER 105 Cb -0.18 0.39 0.56 0.00 -1.71 0.00 0.00 66.02 65.08 1hl4 s SER 105 CO 0.56 -0.78 1.47 0.18 1.20 0.00 0.00 173.24 175.87 1hl4 n LEU 106 N -0.12 3.72 -3.47 3.45 4.77 -1.26 -0.64 117.00 123.45 1hl4 n LEU 106 Ca -0.15 -2.04 -0.12 0.00 -0.03 0.00 0.00 56.01 53.67 1hl4 n LEU 106 Cb 0.63 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1hl4 n LEU 106 CO 0.21 0.91 0.35 -0.94 -1.33 0.00 0.00 177.39 176.58 1hl4 s SER 107 N -1.01 -0.49 0.00 -1.43 1.04 -1.26 -4.82 113.70 105.73 1hl4 s SER 107 Ca 0.42 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1hl4 s SER 107 Cb 0.22 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1hl4 s SER 107 CO 0.28 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1hl4 n GLY 108 N -0.33 -1.63 0.22 7.32 0.00 -1.26 -3.62 105.19 105.88 1hl4 n GLY 108 Ca -0.17 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.46 1hl4 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hl4 h ASP 109 N 0.00 0.00 -0.32 1.61 3.45 -2.01 -2.76 116.42 116.39 1hl4 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1hl4 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1hl4 h ASP 109 CO 0.00 0.27 0.00 1.41 -1.57 0.00 0.00 179.24 179.35 1hl4 n HIS 110 N -3.62 0.41 -1.63 4.55 8.25 -1.26 -4.99 115.22 116.92 1hl4 n HIS 110 Ca -0.01 -0.20 -0.49 0.00 -0.26 0.00 0.00 57.72 56.75 1hl4 n HIS 110 Cb 0.40 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 3.12 0.00 -1.91 0.00 -5.35 0.19 -4.89 119.36 110.52 1hl4 n ILE 112 Ca 0.18 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1hl4 n ILE 112 Cb 0.24 1.32 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 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 -2.19 2.70 0.00 7.28 -1.09 -1.26 -1.22 121.20 125.41 1hl4 s ILE 113 Ca 0.25 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 1hl4 s ILE 113 Cb 0.19 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1hl4 s ILE 113 CO 0.41 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1hl4 n GLY 114 N 3.86 0.81 2.10 6.18 0.00 0.13 -5.00 105.19 113.27 1hl4 n GLY 114 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1hl4 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl4 n ARG 115 N -2.00 0.59 -4.32 1.61 1.74 -0.36 -1.87 116.66 112.05 1hl4 n ARG 115 Ca 0.00 -1.60 -0.33 0.00 -0.77 0.00 0.00 57.85 55.14 1hl4 n ARG 115 Cb 0.00 -0.21 -0.16 0.00 -1.02 0.00 0.00 32.46 31.07 1hl4 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1hl4 s THR 116 N -1.16 2.41 -0.10 0.55 2.01 -0.95 -1.14 115.64 117.26 1hl4 s THR 116 Ca 0.34 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 1hl4 s THR 116 Cb -0.02 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1hl4 s THR 116 CO 0.22 0.52 0.81 -0.22 -0.69 0.00 0.00 174.62 175.26 1hl4 s LEU 117 N 1.09 4.27 -0.06 4.42 2.96 -0.49 0.88 118.68 131.74 1hl4 s LEU 117 Ca -0.00 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.22 1hl4 s LEU 117 Cb -0.14 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1hl4 s LEU 117 CO -0.06 -0.27 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.85 1hl4 s VAL 118 N 1.43 1.43 -0.24 1.68 1.01 0.38 -2.32 120.40 123.77 1hl4 s VAL 118 Ca 0.41 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1hl4 s VAL 118 Cb -0.18 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1hl4 s VAL 118 CO 0.18 0.42 0.11 0.54 0.00 0.00 0.00 175.10 176.34 1hl4 s VAL 119 N 0.37 4.84 0.51 2.92 0.11 -0.36 -1.18 120.40 127.61 1hl4 s VAL 119 Ca -0.12 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1hl4 s VAL 119 Cb -0.15 -3.26 -0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1hl4 s VAL 119 CO 0.04 0.35 0.78 -1.00 -3.33 0.00 0.00 175.10 171.94 1hl4 s HIS 120 N 1.26 3.27 0.09 1.54 3.76 0.56 -0.68 115.29 125.09 1hl4 s HIS 120 Ca 0.06 0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 55.23 1hl4 s HIS 120 Cb -0.14 -2.50 -0.09 0.00 1.11 0.00 0.00 32.58 30.96 1hl4 s HIS 120 CO 0.05 -0.55 1.64 1.49 -0.85 0.00 0.00 174.74 176.52 1hl4 h GLU 121 N 0.13 0.26 -5.21 1.40 4.81 0.12 -3.39 114.58 112.71 1hl4 h GLU 121 Ca -0.46 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 1hl4 h GLU 121 Cb 1.25 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 1hl4 h GLU 121 CO 0.59 0.32 -0.49 0.15 -0.73 0.00 0.00 179.01 178.85 1hl4 s LYS 122 N -5.62 2.22 0.39 1.92 1.02 0.75 -4.91 119.74 115.50 1hl4 s LYS 122 Ca -0.14 -2.40 -0.26 0.00 0.02 0.00 0.00 55.97 53.19 1hl4 s LYS 122 Cb 0.07 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.73 1hl4 s LYS 122 CO 0.70 -0.40 1.24 0.00 -0.92 0.00 0.00 175.35 175.97 1hl4 s ALA 123 N -2.88 3.26 -0.17 5.17 0.00 -1.15 -1.59 121.76 124.39 1hl4 s ALA 123 Ca 0.05 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 1hl4 s ALA 123 Cb 0.01 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1hl4 s ALA 123 CO 0.03 -0.66 1.01 0.34 0.00 0.00 0.00 175.76 176.48 1hl4 s ASP 124 N -0.86 7.15 0.00 0.00 -1.08 -1.26 -3.61 116.67 117.01 1hl4 s ASP 124 Ca 0.55 1.43 0.13 0.00 -0.52 0.00 0.00 52.55 54.14 1hl4 s ASP 124 Cb -0.35 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.33 1hl4 s ASP 124 CO 0.45 -0.55 1.45 -0.90 0.52 0.00 0.00 175.17 176.15 1hl4 n ASP 125 N 5.66 0.00 -2.43 -0.34 5.68 0.26 -4.87 116.55 120.51 1hl4 n ASP 125 Ca 0.10 -1.52 -0.16 0.00 -0.50 0.00 0.00 54.79 52.71 1hl4 n ASP 125 Cb 0.47 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 1hl4 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1hl4 n LEU 126 N -0.71 -1.49 -0.73 -2.12 4.77 -1.26 -0.64 117.00 114.82 1hl4 n LEU 126 Ca 0.10 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1hl4 n LEU 126 Cb 0.04 -2.49 -0.04 0.00 -2.33 0.00 0.00 43.42 38.60 1hl4 n LEU 126 CO 0.07 -0.17 -0.09 0.61 -1.33 0.00 0.00 177.39 176.48 1hl4 n GLY 127 N -0.90 1.12 0.64 -0.72 0.00 -1.23 -3.76 105.19 100.34 1hl4 n GLY 127 Ca -0.19 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.31 1hl4 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hl4 n LYS 128 N -2.71 2.16 0.00 1.61 4.01 0.19 -4.68 118.16 118.74 1hl4 n LYS 128 Ca -0.10 -2.82 0.13 0.00 -0.51 0.00 0.00 58.31 55.01 1hl4 n LYS 128 Cb 0.32 -1.72 0.44 0.00 -0.51 0.00 0.00 35.03 33.57 1hl4 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hl4 n GLY 129 N -0.94 -1.40 2.06 0.72 0.00 -1.25 -4.96 105.19 99.42 1hl4 n GLY 129 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1hl4 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hl4 n GLY 130 N 1.49 0.53 3.32 -0.02 0.00 -1.26 -5.00 105.19 104.25 1hl4 n GLY 130 Ca 0.06 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 1hl4 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hl4 s ASN 131 N -2.98 1.28 0.15 1.61 2.20 -1.26 -5.05 114.94 110.90 1hl4 s ASN 131 Ca 0.00 -1.48 -0.14 0.00 -0.94 0.00 0.00 52.86 50.30 1hl4 s ASN 131 Cb 0.00 0.31 0.04 0.00 -2.00 0.00 0.00 41.25 39.60 1hl4 s ASN 131 CO 0.00 -0.83 1.71 1.05 -2.94 0.00 0.00 177.10 176.09 1hl4 h GLU 132 N 2.31 0.75 0.00 3.55 -0.00 -2.01 -2.74 114.58 116.44 1hl4 h GLU 132 Ca -0.35 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.36 58.85 1hl4 h GLU 132 Cb 1.25 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1hl4 h GLU 132 CO 0.55 0.66 -0.13 1.49 -0.00 0.00 0.00 179.01 181.58 1hl4 h GLU 133 N 0.67 0.00 -0.22 1.06 4.57 -2.00 -2.21 114.58 116.45 1hl4 h GLU 133 Ca 0.17 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1hl4 h GLU 133 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1hl4 h GLU 133 CO -0.01 0.13 0.06 1.03 -1.18 0.00 0.00 179.01 179.04 1hl4 h SER 134 N 0.00 0.28 -0.09 1.04 0.87 -1.84 -1.32 113.55 112.48 1hl4 h SER 134 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1hl4 h SER 134 Cb 0.25 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1hl4 h SER 134 CO 0.02 0.28 0.00 1.07 -0.53 0.00 0.00 176.83 177.67 1hl4 n THR 135 N -4.42 0.10 -0.03 2.23 5.66 -0.83 -2.32 114.28 114.67 1hl4 n THR 135 Ca 0.00 -0.26 -0.08 0.00 -3.05 0.00 0.00 64.05 60.66 1hl4 n THR 135 Cb 0.14 0.30 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 1hl4 n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1hl4 n LYS 136 N 0.08 0.20 0.00 1.09 5.02 -0.83 -2.18 118.16 121.54 1hl4 n LYS 136 Ca 0.17 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1hl4 n LYS 136 Cb 0.30 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 1hl4 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hl4 n THR 137 N -3.55 0.00 -1.08 -0.18 -2.24 -0.56 -4.61 114.28 102.06 1hl4 n THR 137 Ca -0.15 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.31 1hl4 n THR 137 Cb 0.51 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 1hl4 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hl4 n GLY 138 N 0.39 0.60 3.67 3.38 0.00 -0.98 -3.63 105.19 108.62 1hl4 n GLY 138 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1hl4 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hl4 n ASN 139 N 0.74 -4.76 0.00 1.61 3.02 -1.26 0.88 115.26 115.50 1hl4 n ASN 139 Ca -0.03 -0.62 0.12 0.00 -0.03 0.00 0.00 54.58 54.02 1hl4 n ASN 139 Cb 0.13 -3.83 0.57 0.00 -0.61 0.00 0.00 39.78 36.04 1hl4 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hl4 n ALA 140 N -4.27 2.17 -0.75 5.41 0.00 -1.24 -4.63 120.51 117.21 1hl4 n ALA 140 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1hl4 n ALA 140 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1hl4 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hl4 n GLY 141 N 0.84 1.68 3.49 0.00 0.00 -1.26 -0.18 105.19 109.77 1hl4 n GLY 141 Ca 0.09 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1hl4 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hl4 n SER 142 N 0.26 -0.65 -4.50 1.61 7.64 -1.26 -4.57 113.62 112.16 1hl4 n SER 142 Ca 0.00 0.78 -0.43 0.00 1.01 0.00 0.00 58.87 60.23 1hl4 n SER 142 Cb 0.00 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 61.94 1hl4 n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hl4 s ARG 143 N -2.13 3.27 0.03 1.43 0.52 -1.26 0.34 118.95 121.15 1hl4 s ARG 143 Ca 0.69 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 55.26 1hl4 s ARG 143 Cb -0.46 -4.07 -0.21 0.00 0.52 0.00 0.00 34.95 30.73 1hl4 s ARG 143 CO 0.54 -1.41 1.17 -0.07 0.02 0.00 0.00 175.30 175.55 1hl4 h LEU 144 N 10.58 0.61 -7.26 2.53 3.38 -1.18 -3.48 115.31 120.49 1hl4 h LEU 144 Ca -0.27 -0.70 -0.08 0.00 0.09 0.00 0.00 57.88 56.92 1hl4 h LEU 144 Cb 1.08 -0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 1hl4 h LEU 144 CO 1.05 1.23 -0.03 0.00 0.09 0.00 0.00 178.44 180.78 1hl4 s ALA 145 N -3.43 -1.24 0.20 1.53 0.00 -1.15 -4.06 121.76 113.61 1hl4 s ALA 145 Ca -0.13 0.66 -0.09 0.00 0.00 0.00 0.00 51.96 52.40 1hl4 s ALA 145 Cb 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1hl4 s ALA 145 CO 0.83 -0.40 0.32 0.00 0.00 0.00 0.00 175.76 176.51 1hl4 s GLY 147 N -3.01 -0.57 0.12 0.00 0.00 -0.98 -1.89 107.32 100.99 1hl4 s GLY 147 Ca 0.22 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.72 1hl4 s GLY 147 CO 0.05 0.68 0.96 0.14 0.00 0.00 0.00 173.10 174.93 1hl4 s VAL 148 N -2.09 4.45 -0.31 1.40 1.01 -1.26 -1.39 120.40 122.22 1hl4 s VAL 148 Ca -0.06 2.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 1hl4 s VAL 148 Cb -0.00 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1hl4 s VAL 148 CO 0.01 0.33 1.25 -0.63 0.00 0.00 0.00 175.10 176.07 1hl4 s ILE 149 N -0.11 4.21 0.25 2.22 1.01 -0.29 -4.49 121.20 123.99 1hl4 s ILE 149 Ca 0.46 1.37 0.10 0.00 0.00 0.00 0.00 60.65 62.58 1hl4 s ILE 149 Cb -0.24 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1hl4 s ILE 149 CO 0.30 -0.50 -0.08 -0.83 0.00 0.00 0.00 174.94 173.84 1hl4 s GLY 150 N 2.57 1.73 0.30 6.18 0.00 -0.08 0.19 107.32 118.21 1hl4 s GLY 150 Ca 0.54 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.30 1hl4 s GLY 150 CO 0.22 -1.73 1.32 -0.42 0.00 0.00 0.00 173.10 172.49 1hl4 s ILE 151 N -2.22 2.80 0.18 0.90 1.01 -1.26 -1.45 121.20 121.15 1hl4 s ILE 151 Ca 0.29 0.76 0.08 0.00 0.00 0.00 0.00 60.65 61.78 1hl4 s ILE 151 Cb -0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1hl4 s ILE 151 CO 0.17 0.16 -0.15 0.00 0.00 0.00 0.00 174.94 175.12 1hl4 s ALA 152 N -0.76 1.90 -2.00 9.38 0.00 0.11 -4.77 121.76 125.62 1hl4 s ALA 152 Ca 0.52 -1.53 0.12 0.00 0.00 0.00 0.00 51.96 51.06 1hl4 s ALA 152 Cb -0.39 -0.11 0.71 0.00 0.00 0.00 0.00 23.12 23.33 1hl4 s ALA 152 CO 0.49 0.12 1.15 0.94 0.00 0.00 0.00 175.76 178.45