#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lh6 s LEU 2 N 0.00 3.85 -0.07 4.03 2.96 -1.26 -1.32 118.68 126.86 3lh6 s LEU 2 Ca 0.00 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3lh6 s LEU 2 Cb 0.00 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3lh6 s LEU 2 CO 0.00 0.34 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.51 3lh6 s VAL 3 N -1.04 1.51 -0.25 1.68 1.01 0.20 -1.52 120.40 122.00 3lh6 s VAL 3 Ca 0.18 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3lh6 s VAL 3 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3lh6 s VAL 3 CO 0.07 0.44 0.26 -0.22 0.00 0.00 0.00 175.10 175.65 3lh6 s LEU 4 N 0.46 4.09 -0.12 3.92 2.96 -0.32 0.94 118.68 130.61 3lh6 s LEU 4 Ca -0.15 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3lh6 s LEU 4 Cb -0.16 -2.26 -0.00 0.00 0.50 0.00 0.00 46.19 44.27 3lh6 s LEU 4 CO 0.05 -0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.17 3lh6 s VAL 5 N 1.45 2.45 -0.06 1.68 1.01 -0.27 -0.37 120.40 126.29 3lh6 s VAL 5 Ca 0.11 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3lh6 s VAL 5 Cb -0.15 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.31 3lh6 s VAL 5 CO 0.08 0.54 0.92 0.00 0.00 0.00 0.00 175.10 176.63 3lh6 n LEU 6 N 3.68 0.00 0.00 3.92 -0.00 -0.81 -1.27 117.00 122.52 3lh6 n LEU 6 Ca -0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3lh6 n LEU 6 Cb 0.53 1.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.97 3lh6 n LEU 6 CO 0.29 -0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 3lh6 n GLY 7 N -0.66 -0.47 3.17 1.47 0.00 -1.26 -1.72 105.19 105.71 3lh6 n GLY 7 Ca 0.05 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 3lh6 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lh6 n ASP 8 N 3.00 -3.26 -0.06 1.61 8.00 0.47 -3.19 116.55 123.13 3lh6 n ASP 8 Ca 0.00 -0.51 -0.11 0.00 0.71 0.00 0.00 54.79 54.87 3lh6 n ASP 8 Cb 0.00 -4.47 -0.10 0.00 -0.02 0.00 0.00 41.12 36.52 3lh6 n ASP 8 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3lh6 h LEU 9 N -1.87 -0.01 -2.12 0.64 3.38 -1.35 -3.37 115.31 110.61 3lh6 h LEU 9 Ca -0.50 -0.76 -0.21 0.00 0.09 0.00 0.00 57.88 56.50 3lh6 h LEU 9 Cb 1.30 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.18 3lh6 h LEU 9 CO 0.45 0.85 -0.56 1.41 0.09 0.00 0.00 178.44 180.68 3lh6 n HIS 10 N -4.67 -1.59 -4.05 1.13 8.25 0.30 -4.50 115.22 110.10 3lh6 n HIS 10 Ca -0.08 0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 57.66 3lh6 n HIS 10 Cb 0.37 -3.92 -0.13 0.00 1.12 0.00 0.00 29.99 27.43 3lh6 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3lh6 s ILE 11 N -3.26 3.97 -0.57 1.59 1.01 -1.02 -0.80 121.20 122.12 3lh6 s ILE 11 Ca 0.13 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3lh6 s ILE 11 Cb -0.02 -2.80 0.40 0.00 0.01 0.00 0.00 42.46 40.05 3lh6 s ILE 11 CO 0.51 0.42 1.36 -2.65 0.00 0.00 0.00 174.94 174.58 3lh6 n PRO 12 N 4.30 3.28 0.14 2.79 -0.02 -1.26 -3.01 135.00 141.23 3lh6 n PRO 12 Ca -0.17 -4.27 0.03 0.00 -2.02 0.00 0.00 63.50 57.07 3lh6 n PRO 12 Cb 0.52 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3lh6 n PRO 12 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3lh6 h HIS 13 N 2.75 0.00 0.00 6.00 3.86 -1.62 -3.40 115.15 122.73 3lh6 h HIS 13 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3lh6 h HIS 13 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3lh6 h HIS 13 CO 0.93 0.45 -0.22 0.54 0.86 0.00 0.00 177.93 180.49 3lh6 n ARG 14 N -3.20 3.49 -3.71 2.45 1.74 0.02 -5.05 116.66 112.40 3lh6 n ARG 14 Ca 0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 3lh6 n ARG 14 Cb 0.72 -0.61 -0.09 0.00 -1.02 0.00 0.00 32.46 31.45 3lh6 n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3lh6 n ASN 16 N 2.73 0.12 -3.50 0.00 6.94 -1.26 -4.10 115.26 116.19 3lh6 n ASN 16 Ca -0.14 0.01 -0.11 0.00 -0.02 0.00 0.00 54.58 54.32 3lh6 n ASN 16 Cb 0.57 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 3lh6 n ASN 16 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3lh6 s SER 17 N -2.75 -0.45 0.32 0.53 0.15 -1.26 -4.84 113.70 105.40 3lh6 s SER 17 Ca 0.22 0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 3lh6 s SER 17 Cb 0.20 0.44 -0.10 0.00 -1.71 0.00 0.00 66.02 64.84 3lh6 s SER 17 CO 0.51 -0.65 1.41 -0.22 1.20 0.00 0.00 173.24 175.49 3lh6 s LEU 18 N -2.15 4.38 -0.30 3.45 2.96 -1.26 -4.90 118.68 120.87 3lh6 s LEU 18 Ca 0.01 2.80 -0.40 0.00 -0.22 0.00 0.00 54.13 56.31 3lh6 s LEU 18 Cb -0.01 -3.65 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 3lh6 s LEU 18 CO -0.06 -0.69 1.78 -2.65 -1.32 0.00 0.00 176.35 173.41 3lh6 n PRO 19 N 1.19 1.08 -0.32 0.98 -0.02 -1.26 -4.76 135.00 131.88 3lh6 n PRO 19 Ca 0.03 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 62.07 3lh6 n PRO 19 Cb 0.40 -2.09 0.37 0.00 -0.02 0.00 0.00 33.50 32.17 3lh6 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lh6 h ALA 20 N 7.48 1.66 0.00 3.55 0.00 -1.99 0.99 119.26 130.95 3lh6 h ALA 20 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3lh6 h ALA 20 Cb 1.32 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3lh6 h ALA 20 CO 0.97 -0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.45 3lh6 n LYS 21 N -5.03 0.03 -0.12 0.00 5.02 -1.26 -1.88 118.16 114.92 3lh6 n LYS 21 Ca 0.26 0.41 -0.22 0.00 -2.02 0.00 0.00 58.31 56.74 3lh6 n LYS 21 Cb 0.77 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 3lh6 n LYS 21 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3lh6 n PHE 22 N -1.63 0.24 -0.41 2.13 0.99 0.34 -4.14 117.46 114.98 3lh6 n PHE 22 Ca 0.01 0.11 0.36 0.00 -0.00 0.00 0.00 57.45 57.93 3lh6 n PHE 22 Cb 0.09 -0.89 0.69 0.00 -1.00 0.00 0.00 39.48 38.37 3lh6 n PHE 22 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3lh6 h LYS 23 N -1.00 0.10 0.00 -1.08 1.57 -1.30 0.40 116.57 115.26 3lh6 h LYS 23 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3lh6 h LYS 23 Cb 1.35 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3lh6 h LYS 23 CO -0.27 0.06 0.00 1.63 -0.57 0.00 0.00 179.45 180.31 3lh6 n LYS 24 N -4.33 0.13 -0.00 3.15 5.02 -0.79 -2.05 118.16 119.29 3lh6 n LYS 24 Ca 0.31 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 3lh6 n LYS 24 Cb 1.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.83 3lh6 n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3lh6 n LEU 25 N -1.24 0.02 -4.39 -0.35 4.77 0.14 -4.93 117.00 111.03 3lh6 n LEU 25 Ca 0.04 -0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.37 3lh6 n LEU 25 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3lh6 n LEU 25 CO 0.06 0.01 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.35 3lh6 s LEU 26 N -2.63 5.45 -0.04 2.23 1.43 -0.87 -5.04 118.68 119.21 3lh6 s LEU 26 Ca -0.00 -1.26 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 3lh6 s LEU 26 Cb 0.01 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3lh6 s LEU 26 CO 0.05 -0.59 -0.08 0.54 0.23 0.00 0.00 176.35 176.49 3lh6 s VAL 27 N 1.62 0.77 0.35 -1.59 0.11 -1.26 -4.90 120.40 115.50 3lh6 s VAL 27 Ca 0.04 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.55 3lh6 s VAL 27 Cb -0.23 -0.72 -0.16 0.00 -1.53 0.00 0.00 36.38 33.75 3lh6 s VAL 27 CO 0.07 0.26 0.19 -2.65 -3.33 0.00 0.00 175.10 169.64 3lh6 n PRO 28 N 3.61 0.00 -0.68 1.54 -0.02 -1.26 -3.29 135.00 134.90 3lh6 n PRO 28 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3lh6 n PRO 28 Cb 0.53 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3lh6 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lh6 n GLY 29 N 2.23 0.83 0.12 -1.23 0.00 -1.21 -4.85 105.19 101.09 3lh6 n GLY 29 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3lh6 n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lh6 n LYS 30 N -2.03 0.52 -3.30 1.61 4.76 -1.21 -4.99 118.16 113.52 3lh6 n LYS 30 Ca 0.00 0.13 -0.38 0.00 -2.87 0.00 0.00 58.31 55.18 3lh6 n LYS 30 Cb 0.00 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 3lh6 n LYS 30 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lh6 s ILE 31 N -2.42 4.96 0.00 -0.18 1.01 -1.26 -4.78 121.20 118.54 3lh6 s ILE 31 Ca -0.28 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3lh6 s ILE 31 Cb 0.08 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3lh6 s ILE 31 CO 0.47 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.87 3lh6 n GLN 32 N 2.57 0.00 -3.98 2.79 3.00 -0.57 -4.46 117.38 116.72 3lh6 n GLN 32 Ca -0.09 0.25 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 3lh6 n GLN 32 Cb 0.51 -0.72 -0.03 0.00 0.00 0.00 0.00 30.24 30.01 3lh6 n GLN 32 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3lh6 s HIS 33 N -0.61 3.40 -0.07 1.08 3.76 -1.21 -3.90 115.29 117.75 3lh6 s HIS 33 Ca 0.00 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.96 3lh6 s HIS 33 Cb 0.00 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.11 3lh6 s HIS 33 CO 0.00 0.49 -0.09 0.42 -0.85 0.00 0.00 174.74 174.71 3lh6 s ILE 34 N -1.86 0.96 -0.35 0.60 1.01 -0.84 -1.18 121.20 119.54 3lh6 s ILE 34 Ca 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3lh6 s ILE 34 Cb -0.10 -0.92 0.08 0.00 0.01 0.00 0.00 42.46 41.53 3lh6 s ILE 34 CO 0.28 0.32 0.11 -0.76 0.00 0.00 0.00 174.94 174.89 3lh6 s LEU 35 N 0.92 4.57 -0.04 2.97 1.43 0.50 -0.81 118.68 128.23 3lh6 s LEU 35 Ca -0.10 -1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 51.38 3lh6 s LEU 35 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3lh6 s LEU 35 CO 0.01 -0.40 0.12 0.00 0.23 0.00 0.00 176.35 176.31 3lh6 n THR 37 N 1.39 2.61 -3.52 0.00 -2.24 -0.70 -2.79 114.28 109.01 3lh6 n THR 37 Ca -0.14 -1.93 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 3lh6 n THR 37 Cb 0.53 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3lh6 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lh6 n GLY 38 N -0.44 -1.99 3.48 3.38 0.00 -1.20 -4.55 105.19 103.86 3lh6 n GLY 38 Ca 0.31 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 3lh6 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lh6 n ASN 39 N 0.17 -3.47 -0.06 1.61 5.03 -1.26 -0.39 115.26 116.89 3lh6 n ASN 39 Ca 0.00 -0.59 -0.02 0.00 0.87 0.00 0.00 54.58 54.84 3lh6 n ASN 39 Cb 0.01 -5.08 -0.16 0.00 -1.02 0.00 0.00 39.78 33.54 3lh6 n ASN 39 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3lh6 n LEU 40 N -4.41 0.06 0.00 3.41 4.77 -1.26 0.11 117.00 119.68 3lh6 n LEU 40 Ca -0.19 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3lh6 n LEU 40 Cb 0.63 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3lh6 n LEU 40 CO 0.62 0.29 0.00 0.00 -1.33 0.00 0.00 177.39 176.97 3lh6 s THR 42 N 0.00 3.24 -1.90 0.00 -4.23 -1.16 -4.87 115.64 106.72 3lh6 s THR 42 Ca 0.00 0.40 0.30 0.00 -1.18 0.00 0.00 61.69 61.21 3lh6 s THR 42 Cb 0.00 -2.87 0.63 0.00 1.34 0.00 0.00 72.50 71.60 3lh6 s THR 42 CO 0.00 -0.52 1.98 1.17 -0.54 0.00 0.00 174.62 176.71 3lh6 n LYS 43 N -3.58 0.94 -0.21 3.99 4.81 -1.26 -3.25 118.16 119.61 3lh6 n LYS 43 Ca 0.09 -0.26 -0.01 0.00 -0.87 0.00 0.00 58.31 57.26 3lh6 n LYS 43 Cb 0.53 -1.49 0.10 0.00 0.02 0.00 0.00 35.03 34.18 3lh6 n LYS 43 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3lh6 h GLU 44 N 0.64 0.53 0.11 1.64 4.39 -1.93 -2.46 114.58 117.51 3lh6 h GLU 44 Ca 0.00 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 3lh6 h GLU 44 Cb 0.26 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3lh6 h GLU 44 CO 0.00 0.35 -1.24 0.77 -1.16 0.00 0.00 179.01 177.73 3lh6 h SER 45 N 0.54 0.38 -0.61 1.42 0.02 -1.88 -2.47 113.55 110.95 3lh6 h SER 45 Ca 0.29 -0.41 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3lh6 h SER 45 Cb 0.26 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3lh6 h SER 45 CO -0.23 1.32 0.41 0.22 -1.14 0.00 0.00 176.83 177.41 3lh6 h TYR 46 N 0.07 0.59 -0.01 3.45 3.20 -1.60 -0.40 116.97 122.27 3lh6 h TYR 46 Ca -0.13 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.63 3lh6 h TYR 46 Cb 1.96 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 40.04 3lh6 h TYR 46 CO 0.06 0.31 -0.50 -0.44 -1.64 0.00 0.00 178.16 175.96 3lh6 h ASP 47 N 0.58 0.45 -0.74 -2.11 3.32 -1.41 -1.70 116.42 114.81 3lh6 h ASP 47 Ca 0.27 -0.76 0.15 0.00 0.02 0.00 0.00 57.03 56.71 3lh6 h ASP 47 Cb 0.30 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 3lh6 h ASP 47 CO -0.08 1.15 -0.14 0.22 -1.72 0.00 0.00 179.24 178.66 3lh6 h TYR 48 N -0.21 -0.31 -0.67 4.55 3.20 -0.95 -1.06 116.97 121.52 3lh6 h TYR 48 Ca -0.06 0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3lh6 h TYR 48 Cb 1.22 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.71 3lh6 h TYR 48 CO 0.15 -0.30 0.16 -0.07 -1.64 0.00 0.00 178.16 176.46 3lh6 h LEU 49 N 0.02 1.02 -0.15 2.82 3.38 -0.97 -2.78 115.31 118.65 3lh6 h LEU 49 Ca 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3lh6 h LEU 49 Cb 0.59 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3lh6 h LEU 49 CO -0.74 0.99 0.00 1.17 0.09 0.00 0.00 178.44 179.95 3lh6 n LYS 50 N -4.27 0.05 0.08 1.13 4.81 -0.46 -1.91 118.16 117.59 3lh6 n LYS 50 Ca 0.04 0.25 -0.21 0.00 -0.87 0.00 0.00 58.31 57.53 3lh6 n LYS 50 Cb 0.26 -1.59 -0.12 0.00 0.02 0.00 0.00 35.03 33.60 3lh6 n LYS 50 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3lh6 h THR 51 N 0.00 1.30 0.00 3.15 1.35 -1.11 -3.34 112.91 114.26 3lh6 h THR 51 Ca 0.00 -2.45 -0.07 0.00 -0.55 0.00 0.00 66.41 63.34 3lh6 h THR 51 Cb 0.33 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3lh6 h THR 51 CO 0.00 0.74 -0.34 -0.07 -0.25 0.00 0.00 175.52 175.61 3lh6 h LEU 52 N 0.29 0.00 -7.64 3.87 3.38 -1.38 -3.42 115.31 110.41 3lh6 h LEU 52 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3lh6 h LEU 52 Cb 1.84 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.49 3lh6 h LEU 52 CO 0.22 0.34 0.05 0.00 0.09 0.00 0.00 178.44 179.14 3lh6 s ALA 53 N -4.15 -1.00 -0.09 1.53 0.00 -1.16 -3.32 121.76 113.58 3lh6 s ALA 53 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 3lh6 s ALA 53 Cb 0.14 0.85 -0.28 0.00 0.00 0.00 0.00 23.12 23.83 3lh6 s ALA 53 CO 0.70 -0.81 0.52 0.78 0.00 0.00 0.00 175.76 176.95 3lh6 h GLY 54 N 2.17 0.38 -6.91 0.00 0.00 -1.75 -3.39 103.07 93.57 3lh6 h GLY 54 Ca -0.29 -0.96 -0.70 0.00 0.00 0.00 0.00 47.33 45.38 3lh6 h GLY 54 CO 0.37 0.84 2.58 1.34 0.00 0.00 0.00 176.54 181.67 3lh6 n ASP 55 N -3.57 4.47 -4.56 0.19 2.03 -1.25 -4.97 116.55 108.88 3lh6 n ASP 55 Ca -0.28 -2.90 -0.42 0.00 0.52 0.00 0.00 54.79 51.71 3lh6 n ASP 55 Cb 1.05 -1.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.70 3lh6 n ASP 55 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3lh6 s VAL 56 N 3.37 4.96 -0.31 5.18 1.01 -1.26 -1.99 120.40 131.36 3lh6 s VAL 56 Ca 0.49 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 3lh6 s VAL 56 Cb 0.09 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3lh6 s VAL 56 CO -0.01 -0.27 0.21 -1.00 0.00 0.00 0.00 175.10 174.03 3lh6 s HIS 57 N 2.53 3.21 -0.01 5.22 3.76 0.01 -4.97 115.29 125.04 3lh6 s HIS 57 Ca 0.21 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 3lh6 s HIS 57 Cb -0.15 -2.42 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 3lh6 s HIS 57 CO 0.14 -0.32 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.13 3lh6 s ILE 58 N 1.71 0.67 0.21 0.60 2.07 -1.26 -1.70 121.20 123.50 3lh6 s ILE 58 Ca 0.06 -0.34 0.10 0.00 -1.41 0.00 0.00 60.65 59.05 3lh6 s ILE 58 Cb -0.17 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3lh6 s ILE 58 CO 0.10 0.19 -0.09 0.68 -1.91 0.00 0.00 174.94 173.91 3lh6 s VAL 59 N -0.10 3.13 -0.10 4.00 -7.23 -1.12 -4.19 120.40 114.79 3lh6 s VAL 59 Ca 0.02 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.11 3lh6 s VAL 59 Cb -0.04 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3lh6 s VAL 59 CO -0.00 -0.21 0.83 -0.60 -0.31 0.00 0.00 175.10 174.81 3lh6 s ARG 60 N -3.10 4.40 0.32 4.82 3.52 0.23 -3.26 118.95 125.86 3lh6 s ARG 60 Ca 0.27 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.98 3lh6 s ARG 60 Cb -0.08 -3.51 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3lh6 s ARG 60 CO 0.16 -0.15 0.32 0.41 -0.81 0.00 0.00 175.30 175.23 3lh6 n GLY 61 N 3.22 2.51 3.55 8.12 0.00 -1.26 -4.50 105.19 116.83 3lh6 n GLY 61 Ca 0.03 -2.22 -0.54 0.00 0.00 0.00 0.00 46.02 43.29 3lh6 n GLY 61 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3lh6 n ASP 62 N -2.19 2.22 0.00 1.61 5.68 -1.26 -1.94 116.55 120.67 3lh6 n ASP 62 Ca 0.03 0.75 0.00 0.00 -0.50 0.00 0.00 54.79 55.07 3lh6 n ASP 62 Cb 0.35 -1.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.14 3lh6 n ASP 62 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3lh6 n PHE 63 N 7.60 0.00 -1.67 2.11 3.01 -1.26 -4.92 117.46 122.33 3lh6 n PHE 63 Ca 0.35 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.39 3lh6 n PHE 63 Cb 0.17 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 3lh6 n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3lh6 n ASP 64 N -0.00 4.14 -0.81 4.37 10.43 -0.82 -4.88 116.55 128.99 3lh6 n ASP 64 Ca 0.00 0.92 0.03 0.00 2.57 0.00 0.00 54.79 58.31 3lh6 n ASP 64 Cb 0.00 -1.53 0.12 0.00 1.84 0.00 0.00 41.12 41.55 3lh6 n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3lh6 n GLU 65 N 7.03 2.05 -4.21 -1.24 -0.00 -1.26 -4.76 120.64 118.25 3lh6 n GLU 65 Ca 0.20 -0.95 -0.34 0.00 -0.00 0.00 0.00 57.16 56.06 3lh6 n GLU 65 Cb 0.40 -1.60 -0.13 0.00 -0.00 0.00 0.00 31.44 30.11 3lh6 n GLU 65 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3lh6 s ASN 66 N -0.44 4.49 0.00 -1.84 3.84 -1.26 -4.97 114.94 114.76 3lh6 s ASN 66 Ca 0.17 -0.28 0.16 0.00 0.21 0.00 0.00 52.86 53.12 3lh6 s ASN 66 Cb 0.12 -1.75 0.04 0.00 -0.55 0.00 0.00 41.25 39.11 3lh6 s ASN 66 CO 0.06 0.07 0.90 0.18 -2.79 0.00 0.00 177.10 175.53 3lh6 n LEU 67 N 4.17 1.86 -0.05 3.21 4.77 -1.26 -3.44 117.00 126.26 3lh6 n LEU 67 Ca -0.18 -0.84 0.14 0.00 -0.03 0.00 0.00 56.01 55.10 3lh6 n LEU 67 Cb 0.52 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.29 3lh6 n LEU 67 CO 0.31 0.35 0.94 0.59 -1.33 0.00 0.00 177.39 178.24 3lh6 n ASN 68 N 0.23 0.23 -4.67 -1.43 4.13 -1.26 -4.78 115.26 107.71 3lh6 n ASN 68 Ca 0.08 -0.34 -0.40 0.00 1.68 0.00 0.00 54.58 55.60 3lh6 n ASN 68 Cb 0.36 -0.17 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 3lh6 n ASN 68 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3lh6 s TYR 69 N -2.54 3.39 0.74 3.10 4.12 -1.22 -5.07 117.35 119.87 3lh6 s TYR 69 Ca 0.28 0.97 -0.16 0.00 0.02 0.00 0.00 57.07 58.18 3lh6 s TYR 69 Cb 0.20 -2.81 0.01 0.00 -1.52 0.00 0.00 41.96 37.84 3lh6 s TYR 69 CO 0.47 -0.15 0.90 -2.30 0.02 0.00 0.00 175.55 174.49 3lh6 n PRO 70 N 4.95 0.42 0.08 -1.71 -0.02 -1.26 -4.17 135.00 133.28 3lh6 n PRO 70 Ca -0.01 0.20 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3lh6 n PRO 70 Cb 0.50 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3lh6 n PRO 70 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3lh6 h GLU 71 N -0.38 0.02 -2.09 -0.52 4.39 -1.94 0.65 114.58 114.72 3lh6 h GLU 71 Ca -0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.17 3lh6 h GLU 71 Cb 1.33 0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.78 3lh6 h GLU 71 CO 0.46 0.94 0.03 1.14 -1.16 0.00 0.00 179.01 180.42 3lh6 s GLN 72 N -2.90 0.73 0.26 2.33 0.00 -1.26 -4.12 119.66 114.70 3lh6 s GLN 72 Ca 0.00 1.07 0.07 0.00 -0.00 0.00 0.00 55.36 56.49 3lh6 s GLN 72 Cb 0.10 0.25 -0.06 0.00 0.00 0.00 0.00 33.01 33.31 3lh6 s GLN 72 CO 0.81 -0.12 -0.07 -1.59 0.00 0.00 0.00 175.29 174.31 3lh6 s LYS 73 N 1.01 1.51 -0.22 9.60 -2.85 -0.04 -4.99 119.74 123.75 3lh6 s LYS 73 Ca -0.05 -1.75 0.01 0.00 -1.00 0.00 0.00 55.97 53.18 3lh6 s LYS 73 Cb -0.05 -1.14 0.05 0.00 -2.06 0.00 0.00 37.83 34.63 3lh6 s LYS 73 CO -0.09 0.06 -0.09 0.08 0.10 0.00 0.00 175.35 175.41 3lh6 s VAL 74 N -3.01 1.72 -0.01 1.79 1.01 -1.26 0.31 120.40 120.95 3lh6 s VAL 74 Ca 0.28 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3lh6 s VAL 74 Cb 0.03 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3lh6 s VAL 74 CO 0.11 0.08 0.08 -0.69 0.00 0.00 0.00 175.10 174.68 3lh6 s VAL 75 N 1.34 4.74 -0.20 2.92 1.01 -0.25 -4.92 120.40 125.03 3lh6 s VAL 75 Ca -0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3lh6 s VAL 75 Cb -0.17 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3lh6 s VAL 75 CO -0.07 0.36 0.02 -0.89 0.00 0.00 0.00 175.10 174.52 3lh6 s THR 76 N -1.18 4.08 -0.31 3.92 2.01 -1.26 -0.06 115.64 122.83 3lh6 s THR 76 Ca 0.22 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.99 3lh6 s THR 76 Cb -0.12 -2.85 0.09 0.00 0.01 0.00 0.00 72.50 69.63 3lh6 s THR 76 CO 0.13 0.42 0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 3lh6 s VAL 77 N 1.02 2.08 0.00 3.82 1.01 0.48 -4.97 120.40 123.84 3lh6 s VAL 77 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 59.97 3lh6 s VAL 77 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3lh6 s VAL 77 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.28 3lh6 n GLY 78 N 4.37 1.99 1.41 4.51 0.00 -1.26 -1.88 105.19 114.33 3lh6 n GLY 78 Ca -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 3lh6 n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lh6 n GLN 79 N 13.16 2.03 -4.08 1.61 6.02 -1.26 -4.81 117.38 130.05 3lh6 n GLN 79 Ca 0.00 -1.41 -0.32 0.00 -0.01 0.00 0.00 57.00 55.26 3lh6 n GLN 79 Cb 0.00 -1.66 -0.15 0.00 1.02 0.00 0.00 30.24 29.45 3lh6 n GLN 79 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3lh6 s PHE 80 N -1.62 3.03 -0.09 1.08 0.40 -0.79 -5.06 117.98 114.93 3lh6 s PHE 80 Ca 0.26 -2.05 -0.30 0.00 -0.60 0.00 0.00 56.93 54.25 3lh6 s PHE 80 Cb 0.21 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 3lh6 s PHE 80 CO 0.06 -0.84 1.02 0.15 0.70 0.00 0.00 175.22 176.31 3lh6 s LYS 81 N 1.19 4.43 -0.12 0.44 1.02 -1.26 -0.39 119.74 125.05 3lh6 s LYS 81 Ca -0.04 1.42 0.03 0.00 0.02 0.00 0.00 55.97 57.40 3lh6 s LYS 81 Cb -0.17 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 3lh6 s LYS 81 CO -0.08 -0.30 -0.20 0.42 -0.92 0.00 0.00 175.35 174.27 3lh6 s ILE 82 N 1.91 1.86 0.19 2.17 1.01 0.91 -0.67 121.20 128.58 3lh6 s ILE 82 Ca 0.49 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 3lh6 s ILE 82 Cb -0.19 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.56 3lh6 s ILE 82 CO 0.19 0.51 0.48 -0.83 0.00 0.00 0.00 174.94 175.30 3lh6 s GLY 83 N 0.74 2.27 -0.07 6.18 0.00 0.87 -1.09 107.32 116.22 3lh6 s GLY 83 Ca -0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 3lh6 s GLY 83 CO 0.01 -0.25 0.17 -2.27 0.00 0.00 0.00 173.10 170.76 3lh6 s LEU 84 N -2.69 0.63 -0.04 0.66 2.96 0.15 -1.31 118.68 119.03 3lh6 s LEU 84 Ca 0.44 0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.47 3lh6 s LEU 84 Cb -0.12 0.44 0.05 0.00 0.50 0.00 0.00 46.19 47.07 3lh6 s LEU 84 CO 0.22 -0.16 0.52 -0.51 -1.32 0.00 0.00 176.35 175.11 3lh6 s ILE 85 N 1.23 0.02 0.23 6.68 2.07 -0.91 -0.86 121.20 129.66 3lh6 s ILE 85 Ca -0.09 -0.20 -0.04 0.00 -1.41 0.00 0.00 60.65 58.91 3lh6 s ILE 85 Cb -0.11 -0.83 0.09 0.00 0.13 0.00 0.00 42.46 41.74 3lh6 s ILE 85 CO -0.07 -0.11 1.72 -0.74 -1.91 0.00 0.00 174.94 173.83 3lh6 h HIS 86 N 3.45 0.94 0.00 3.50 -0.00 -1.79 -3.25 115.15 118.00 3lh6 h HIS 86 Ca -0.28 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 3lh6 h HIS 86 Cb 1.16 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.31 3lh6 h HIS 86 CO 0.44 0.86 0.00 0.41 -0.00 0.00 0.00 177.93 179.65 3lh6 n GLY 87 N -0.55 0.48 0.07 5.26 0.00 -1.26 -1.88 105.19 107.32 3lh6 n GLY 87 Ca 0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 3lh6 n GLY 87 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3lh6 n HIS 88 N -3.31 0.00 -0.94 1.61 1.44 -1.26 -4.70 115.22 108.06 3lh6 n HIS 88 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 3lh6 n HIS 88 Cb 0.22 -0.83 -0.05 0.00 0.12 0.00 0.00 29.99 29.45 3lh6 n HIS 88 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3lh6 n GLN 89 N -2.59 0.00 -3.58 -1.40 3.00 -1.26 -4.89 117.38 106.66 3lh6 n GLN 89 Ca -0.24 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.38 3lh6 n GLN 89 Cb 0.97 -0.84 -0.05 0.00 0.00 0.00 0.00 30.24 30.31 3lh6 n GLN 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3lh6 n VAL 90 N 1.84 3.27 -4.09 5.09 0.31 -1.26 -5.03 118.33 118.46 3lh6 n VAL 90 Ca 0.16 -5.17 -0.33 0.00 -0.01 0.00 0.00 64.34 58.98 3lh6 n VAL 90 Cb -0.01 -2.40 -0.16 0.00 -0.91 0.00 0.00 33.84 30.36 3lh6 n VAL 90 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3lh6 s ILE 91 N -1.42 2.20 0.49 2.52 -1.09 -1.26 -5.11 121.20 117.53 3lh6 s ILE 91 Ca 0.28 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.55 3lh6 s ILE 91 Cb -0.07 -1.96 -0.09 0.00 -1.58 0.00 0.00 42.46 38.76 3lh6 s ILE 91 CO -0.12 0.49 0.87 -2.65 -1.23 0.00 0.00 174.94 172.30 3lh6 n PRO 92 N 4.63 1.02 0.32 2.79 -0.02 -1.26 -4.79 135.00 137.69 3lh6 n PRO 92 Ca -0.20 0.37 0.20 0.00 -2.02 0.00 0.00 63.50 61.85 3lh6 n PRO 92 Cb 0.50 -1.96 1.06 0.00 -0.02 0.00 0.00 33.50 33.08 3lh6 n PRO 92 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3lh6 h TRP 93 N 0.99 0.00 0.00 6.00 2.91 -2.03 -3.15 115.95 120.68 3lh6 h TRP 93 Ca -0.45 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.51 3lh6 h TRP 93 Cb 1.36 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.00 3lh6 h TRP 93 CO 0.39 0.00 -0.28 0.78 -1.03 0.00 0.00 178.44 178.30 3lh6 h GLY 94 N 0.00 0.00 -7.32 2.65 0.00 -2.05 -3.41 103.07 92.94 3lh6 h GLY 94 Ca 0.01 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.69 3lh6 h GLY 94 CO -0.00 0.00 1.20 -0.35 0.00 0.00 0.00 176.54 177.39 3lh6 s ASP 95 N -6.29 6.60 0.26 0.19 2.15 -1.19 -4.91 116.67 113.47 3lh6 s ASP 95 Ca 0.04 -1.83 -0.02 0.00 0.43 0.00 0.00 52.55 51.17 3lh6 s ASP 95 Cb 0.08 -2.48 0.53 0.00 -0.30 0.00 0.00 42.92 40.75 3lh6 s ASP 95 CO 0.69 -1.25 1.73 0.24 -0.17 0.00 0.00 175.17 176.40 3lh6 h MET 96 N 9.16 0.47 0.30 4.34 2.86 -1.89 -1.71 114.93 128.45 3lh6 h MET 96 Ca 0.19 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3lh6 h MET 96 Cb 1.01 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3lh6 h MET 96 CO 1.27 0.31 -0.21 0.00 1.06 0.00 0.00 176.91 179.34 3lh6 h ALA 97 N 1.58 -0.49 -0.87 6.32 0.00 -1.96 0.25 119.26 124.09 3lh6 h ALA 97 Ca 0.46 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.45 3lh6 h ALA 97 Cb 0.72 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 3lh6 h ALA 97 CO -0.42 -0.79 0.42 0.77 0.00 0.00 0.00 179.25 179.23 3lh6 h SER 98 N -0.51 0.45 -0.42 0.00 0.02 -1.74 -1.19 113.55 110.18 3lh6 h SER 98 Ca -0.02 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3lh6 h SER 98 Cb 0.43 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 3lh6 h SER 98 CO 0.01 0.13 0.07 0.25 -1.14 0.00 0.00 176.83 176.16 3lh6 h LEU 99 N 0.54 -0.01 -1.72 5.07 5.85 -0.51 -2.74 115.31 121.79 3lh6 h LEU 99 Ca 0.50 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.26 3lh6 h LEU 99 Cb 0.81 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3lh6 h LEU 99 CO -0.43 0.03 -0.17 0.00 -0.34 0.00 0.00 178.44 177.53 3lh6 h ALA 100 N 1.32 1.55 0.00 1.25 0.00 0.28 0.38 119.26 124.04 3lh6 h ALA 100 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3lh6 h ALA 100 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3lh6 h ALA 100 CO -0.27 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3lh6 n LEU 101 N -4.09 0.37 0.05 0.00 4.77 -1.04 -3.15 117.00 113.91 3lh6 n LEU 101 Ca -0.02 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 3lh6 n LEU 101 Cb 0.25 -0.46 0.22 0.00 -2.33 0.00 0.00 43.42 41.10 3lh6 n LEU 101 CO 0.34 -0.21 0.44 0.18 -1.33 0.00 0.00 177.39 176.81 3lh6 n LEU 102 N -1.87 0.65 0.14 2.23 4.32 0.12 -3.88 117.00 118.71 3lh6 n LEU 102 Ca 0.05 0.24 0.12 0.00 -0.02 0.00 0.00 56.01 56.40 3lh6 n LEU 102 Cb 0.31 -0.22 0.49 0.00 -1.62 0.00 0.00 43.42 42.39 3lh6 n LEU 102 CO 0.24 -0.04 0.87 1.56 -1.22 0.00 0.00 177.39 178.80 3lh6 h GLN 103 N 0.00 0.00 -0.30 3.23 1.08 -1.57 0.19 115.11 117.74 3lh6 h GLN 103 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3lh6 h GLN 103 Cb 0.69 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3lh6 h GLN 103 CO 0.00 0.00 0.16 0.00 -0.95 0.00 0.00 178.83 178.04 3lh6 h ARG 104 N 0.00 0.32 -1.81 1.46 3.08 -1.79 -2.12 114.38 113.51 3lh6 h ARG 104 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3lh6 h ARG 104 Cb 0.42 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3lh6 h ARG 104 CO 0.00 0.21 0.00 1.04 -1.07 0.00 0.00 179.97 180.15 3lh6 n GLN 105 N -4.95 1.00 0.04 0.04 1.13 0.67 -3.49 117.38 111.82 3lh6 n GLN 105 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3lh6 n GLN 105 Cb 0.07 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3lh6 n GLN 105 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3lh6 n PHE 106 N 1.31 -1.94 -1.53 1.08 3.01 -1.19 -4.90 117.46 113.29 3lh6 n PHE 106 Ca 0.00 0.23 -0.20 0.00 1.01 0.00 0.00 57.45 58.49 3lh6 n PHE 106 Cb 0.50 0.93 -0.11 0.00 -0.01 0.00 0.00 39.48 40.79 3lh6 n PHE 106 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3lh6 n ASP 107 N -2.69 1.59 -3.55 4.37 2.03 -0.80 -4.62 116.55 112.87 3lh6 n ASP 107 Ca 0.00 -2.53 -0.14 0.00 0.52 0.00 0.00 54.79 52.64 3lh6 n ASP 107 Cb 0.00 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 38.75 3lh6 n ASP 107 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3lh6 s VAL 108 N 15.19 0.00 -0.07 5.18 0.11 -1.26 -4.86 120.40 134.70 3lh6 s VAL 108 Ca 0.78 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.77 3lh6 s VAL 108 Cb -0.02 -1.00 -0.28 0.00 -1.53 0.00 0.00 36.38 33.55 3lh6 s VAL 108 CO 0.20 0.00 0.58 0.44 -3.33 0.00 0.00 175.10 172.99 3lh6 h ASP 109 N 2.88 0.44 -3.39 3.54 3.32 -1.15 -3.46 116.42 118.60 3lh6 h ASP 109 Ca -0.23 -0.79 -0.58 0.00 0.02 0.00 0.00 57.03 55.45 3lh6 h ASP 109 Cb 1.15 -0.14 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 3lh6 h ASP 109 CO 0.33 1.69 -0.84 -0.63 -1.72 0.00 0.00 179.24 178.07 3lh6 s ILE 110 N -2.58 1.50 -0.23 0.35 1.01 -1.02 0.39 121.20 120.62 3lh6 s ILE 110 Ca -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3lh6 s ILE 110 Cb 0.06 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.23 3lh6 s ILE 110 CO 0.82 0.44 -0.09 -0.76 0.00 0.00 0.00 174.94 175.34 3lh6 s LEU 111 N 0.54 2.99 -0.19 2.97 1.02 0.94 -0.09 118.68 126.87 3lh6 s LEU 111 Ca -0.16 -0.84 -0.03 0.00 0.02 0.00 0.00 54.13 53.11 3lh6 s LEU 111 Cb -0.17 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 3lh6 s LEU 111 CO 0.06 -0.10 -0.05 -0.63 0.02 0.00 0.00 176.35 175.65 3lh6 s ILE 112 N 1.31 3.53 0.28 -0.59 1.01 -0.43 -0.26 121.20 126.05 3lh6 s ILE 112 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3lh6 s ILE 112 Cb -0.16 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3lh6 s ILE 112 CO -0.06 0.45 0.11 -0.94 0.00 0.00 0.00 174.94 174.50 3lh6 s SER 113 N 0.99 1.42 0.00 3.58 1.04 -0.87 -2.15 113.70 117.72 3lh6 s SER 113 Ca 0.00 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.99 3lh6 s SER 113 Cb -0.15 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3lh6 s SER 113 CO 0.01 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3lh6 n GLY 114 N -0.53 4.58 4.94 7.32 0.00 -0.78 -4.00 105.19 116.72 3lh6 n GLY 114 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3lh6 n GLY 114 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3lh6 n HIS 115 N 0.00 0.00 0.33 1.61 -0.00 -1.02 -4.55 115.22 111.58 3lh6 n HIS 115 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 3lh6 n HIS 115 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 3lh6 n HIS 115 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3lh6 h THR 116 N 0.00 0.38 0.00 3.57 1.35 -1.85 -3.47 112.91 112.89 3lh6 h THR 116 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3lh6 h THR 116 Cb 0.00 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 3lh6 h THR 116 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 3lh6 n HIS 117 N -5.45 0.00 -2.68 4.73 -0.00 -1.26 -4.84 115.22 105.73 3lh6 n HIS 117 Ca -0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.17 3lh6 n HIS 117 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.30 3lh6 n HIS 117 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3lh6 s LYS 118 N -0.83 3.94 0.79 -0.41 1.02 -1.26 -3.40 119.74 119.58 3lh6 s LYS 118 Ca 0.00 0.84 -0.14 0.00 0.02 0.00 0.00 55.97 56.69 3lh6 s LYS 118 Cb 0.00 -3.79 0.04 0.00 -0.52 0.00 0.00 37.83 33.56 3lh6 s LYS 118 CO 0.00 -1.01 0.99 0.34 -0.92 0.00 0.00 175.35 174.75 3lh6 n PHE 119 N 7.04 0.65 -3.97 3.18 7.35 -1.26 -4.51 117.46 125.94 3lh6 n PHE 119 Ca 0.11 0.38 -0.09 0.00 -0.76 0.00 0.00 57.45 57.09 3lh6 n PHE 119 Cb 0.48 -2.05 -0.05 0.00 0.35 0.00 0.00 39.48 38.21 3lh6 n PHE 119 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3lh6 s GLU 120 N -3.70 1.55 -0.30 -4.13 2.02 -0.53 -4.91 118.70 108.71 3lh6 s GLU 120 Ca 0.71 -1.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.33 3lh6 s GLU 120 Cb -0.31 0.49 0.20 0.00 0.10 0.00 0.00 34.13 34.61 3lh6 s GLU 120 CO 0.53 -0.65 1.23 0.00 0.02 0.00 0.00 175.26 176.39 3lh6 s ALA 121 N -4.00 -2.81 -0.15 5.21 0.00 -1.25 -2.43 121.76 116.34 3lh6 s ALA 121 Ca 0.20 1.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.81 3lh6 s ALA 121 Cb -0.01 -2.05 0.13 0.00 0.00 0.00 0.00 23.12 21.19 3lh6 s ALA 121 CO 0.08 -0.52 1.04 -0.59 0.00 0.00 0.00 175.76 175.76 3lh6 s PHE 122 N 1.40 -0.30 0.59 0.00 -0.12 -0.56 -4.98 117.98 114.01 3lh6 s PHE 122 Ca -0.06 0.42 -0.11 0.00 -0.05 0.00 0.00 56.93 57.14 3lh6 s PHE 122 Cb -0.02 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3lh6 s PHE 122 CO -0.12 -0.33 0.99 -2.00 -0.05 0.00 0.00 175.22 173.70 3lh6 s GLU 123 N -1.66 3.62 -0.30 1.99 2.12 -1.26 -0.79 118.70 122.42 3lh6 s GLU 123 Ca 0.02 0.69 -0.12 0.00 0.36 0.00 0.00 54.97 55.92 3lh6 s GLU 123 Cb -0.01 -2.13 0.18 0.00 0.26 0.00 0.00 34.13 32.44 3lh6 s GLU 123 CO -0.02 -0.49 1.02 -1.58 -0.54 0.00 0.00 175.26 173.65 3lh6 s HIS 124 N -3.07 -0.59 -1.34 5.30 2.46 0.49 -4.91 115.29 113.63 3lh6 s HIS 124 Ca 0.54 0.57 -0.06 0.00 0.47 0.00 0.00 55.06 56.58 3lh6 s HIS 124 Cb -0.11 0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.55 3lh6 s HIS 124 CO 0.51 -0.33 1.04 0.39 -2.47 0.00 0.00 174.74 173.88 3lh6 n GLU 125 N 5.41 -6.81 -2.08 2.88 -0.58 -1.26 -2.44 120.64 115.77 3lh6 n GLU 125 Ca -0.04 0.77 -0.09 0.00 -0.42 0.00 0.00 57.16 57.38 3lh6 n GLU 125 Cb 0.54 -5.73 -0.01 0.00 -0.57 0.00 0.00 31.44 25.68 3lh6 n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3lh6 n ASN 126 N -3.02 -3.31 -4.03 1.62 5.15 -1.26 -5.02 115.26 105.39 3lh6 n ASN 126 Ca -0.11 0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 53.73 3lh6 n ASN 126 Cb 0.60 -2.48 -0.13 0.00 -0.53 0.00 0.00 39.78 37.23 3lh6 n ASN 126 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3lh6 s LYS 127 N -4.28 0.59 -0.07 1.20 1.02 -1.02 -4.93 119.74 112.24 3lh6 s LYS 127 Ca 0.00 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 3lh6 s LYS 127 Cb 0.00 -0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 3lh6 s LYS 127 CO 0.00 0.13 0.10 0.12 -0.92 0.00 0.00 175.35 174.78 3lh6 s PHE 128 N -0.64 3.43 -0.05 3.18 5.36 0.16 -0.38 117.98 129.05 3lh6 s PHE 128 Ca -0.01 0.36 0.06 0.00 -0.96 0.00 0.00 56.93 56.38 3lh6 s PHE 128 Cb -0.06 -1.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3lh6 s PHE 128 CO 0.00 0.63 -0.25 0.71 -1.46 0.00 0.00 175.22 174.85 3lh6 s TYR 129 N -1.08 2.42 -0.09 10.12 1.51 0.03 -0.04 117.35 130.22 3lh6 s TYR 129 Ca 0.18 -0.67 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3lh6 s TYR 129 Cb -0.12 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.20 3lh6 s TYR 129 CO 0.08 -0.18 0.19 0.42 -1.11 0.00 0.00 175.55 174.94 3lh6 s ILE 130 N -0.25 -0.22 -0.12 2.71 1.01 0.64 -1.49 121.20 123.48 3lh6 s ILE 130 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3lh6 s ILE 130 Cb -0.13 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3lh6 s ILE 130 CO 0.03 0.12 -0.04 0.21 0.00 0.00 0.00 174.94 175.25 3lh6 s ASN 131 N 1.94 4.81 0.34 3.58 3.84 -1.02 -2.05 114.94 126.38 3lh6 s ASN 131 Ca -0.02 -0.06 0.21 0.00 0.21 0.00 0.00 52.86 53.21 3lh6 s ASN 131 Cb -0.12 -1.56 0.19 0.00 -0.55 0.00 0.00 41.25 39.21 3lh6 s ASN 131 CO -0.07 0.26 1.40 -0.65 -2.79 0.00 0.00 177.10 175.25 3lh6 h PRO 132 N 6.05 0.00 -0.61 0.43 0.11 -1.82 -1.40 132.00 134.76 3lh6 h PRO 132 Ca -0.39 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.79 3lh6 h PRO 132 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3lh6 h PRO 132 CO 0.58 0.09 -0.12 0.41 -0.21 0.00 0.00 178.00 178.75 3lh6 n GLY 133 N 1.15 -1.62 3.65 -0.55 0.00 -1.26 -3.99 105.19 102.57 3lh6 n GLY 133 Ca 0.02 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 3lh6 n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lh6 s SER 134 N -3.81 6.94 0.56 1.61 0.15 -1.22 -4.45 113.70 113.49 3lh6 s SER 134 Ca 0.00 1.14 0.24 0.00 0.70 0.00 0.00 55.95 58.03 3lh6 s SER 134 Cb 0.00 -2.50 1.53 0.00 -1.71 0.00 0.00 66.02 63.34 3lh6 s SER 134 CO 0.00 -0.67 2.15 0.00 1.20 0.00 0.00 173.24 175.91 3lh6 h ALA 135 N 7.73 1.89 -0.53 5.45 0.00 -1.38 0.47 119.26 132.88 3lh6 h ALA 135 Ca -0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3lh6 h ALA 135 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3lh6 h ALA 135 CO 0.95 -0.15 0.03 0.25 0.00 0.00 0.00 179.25 180.34 3lh6 n THR 136 N -4.16 2.71 -4.18 0.00 -2.24 -1.26 -4.32 114.28 100.83 3lh6 n THR 136 Ca -0.00 -1.55 -0.38 0.00 -2.27 0.00 0.00 64.05 59.84 3lh6 n THR 136 Cb 0.21 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 3lh6 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lh6 n GLY 137 N 0.28 -0.46 3.82 3.38 0.00 0.15 -4.85 105.19 107.50 3lh6 n GLY 137 Ca 0.28 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.24 3lh6 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lh6 s ALA 138 N -3.96 2.74 0.08 4.61 0.00 -1.26 -4.61 121.76 119.36 3lh6 s ALA 138 Ca 0.25 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 3lh6 s ALA 138 Cb -0.14 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3lh6 s ALA 138 CO 0.96 -1.02 0.67 1.52 0.00 0.00 0.00 175.76 177.89 3lh6 s TYR 139 N -2.84 3.80 0.00 0.00 -0.85 -1.26 -4.77 117.35 111.43 3lh6 s TYR 139 Ca 0.60 1.41 0.00 0.00 -0.52 0.00 0.00 57.07 58.55 3lh6 s TYR 139 Cb -0.14 -2.66 0.00 0.00 0.38 0.00 0.00 41.96 39.54 3lh6 s TYR 139 CO 0.48 0.47 0.00 0.27 -1.52 0.00 0.00 175.55 175.25 3lh6 n ASN 140 N 2.06 0.16 0.05 -0.18 6.94 -1.25 -5.05 115.26 117.98 3lh6 n ASN 140 Ca -0.07 -0.47 -0.13 0.00 -0.02 0.00 0.00 54.58 53.89 3lh6 n ASN 140 Cb 0.50 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.83 3lh6 n ASN 140 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3lh6 h ALA 141 N -0.19 -0.13 -3.00 -2.53 0.00 -1.98 -3.42 119.26 108.00 3lh6 h ALA 141 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3lh6 h ALA 141 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3lh6 h ALA 141 CO 0.00 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.14 3lh6 n LEU 142 N -4.98 0.00 0.00 0.00 4.77 -1.26 -4.98 117.00 110.55 3lh6 n LEU 142 Ca -0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 3lh6 n LEU 142 Cb 0.22 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.49 3lh6 n LEU 142 CO 0.32 0.00 0.77 -1.84 -1.33 0.00 0.00 177.39 175.31 3lh6 n GLU 143 N 0.00 -1.12 0.00 3.23 0.28 -1.26 -5.06 120.64 116.71 3lh6 n GLU 143 Ca 0.00 -1.81 0.00 0.00 -0.16 0.00 0.00 57.16 55.19 3lh6 n GLU 143 Cb 0.00 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 31.68 3lh6 n GLU 143 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3lh6 n THR 144 N -3.60 0.00 -2.16 3.84 -1.04 -1.26 -3.84 114.28 106.22 3lh6 n THR 144 Ca 0.15 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.86 3lh6 n THR 144 Cb 0.51 -0.52 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 3lh6 n THR 144 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3lh6 s ASN 145 N -2.89 5.41 -0.23 8.00 0.01 -1.26 -4.70 114.94 119.28 3lh6 s ASN 145 Ca 0.00 -1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 51.03 3lh6 s ASN 145 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3lh6 s ASN 145 CO 0.00 -2.55 -0.05 -0.63 -1.51 0.00 0.00 177.10 172.36 3lh6 s ILE 146 N 9.20 3.21 -0.39 0.60 -1.09 -1.26 -5.07 121.20 126.39 3lh6 s ILE 146 Ca 0.65 -0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 58.16 3lh6 s ILE 146 Cb -0.04 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 3lh6 s ILE 146 CO 0.01 0.38 1.65 -0.63 -1.23 0.00 0.00 174.94 175.12 3lh6 s ILE 147 N 1.44 3.63 0.30 2.92 1.01 -1.26 -4.57 121.20 124.66 3lh6 s ILE 147 Ca 0.05 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3lh6 s ILE 147 Cb -0.15 -3.91 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 3lh6 s ILE 147 CO -0.04 -0.61 1.38 -2.65 0.00 0.00 0.00 174.94 173.01 3lh6 n PRO 148 N 8.38 2.17 -3.99 2.79 -0.02 -1.26 -4.65 135.00 138.43 3lh6 n PRO 148 Ca 0.20 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 3lh6 n PRO 148 Cb 0.48 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3lh6 n PRO 148 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3lh6 s SER 149 N 0.02 -0.05 0.27 2.55 1.04 -0.56 -0.73 113.70 116.24 3lh6 s SER 149 Ca 0.61 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 3lh6 s SER 149 Cb -0.59 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.20 3lh6 s SER 149 CO 0.56 -1.18 0.79 2.22 0.98 0.00 0.00 173.24 176.61 3lh6 n PHE 150 N -0.40 -1.81 -4.08 5.02 1.16 -0.49 -2.11 117.46 114.74 3lh6 n PHE 150 Ca -0.02 -1.42 -0.14 0.00 -1.87 0.00 0.00 57.45 54.01 3lh6 n PHE 150 Cb 0.62 0.70 -0.12 0.00 -1.61 0.00 0.00 39.48 39.07 3lh6 n PHE 150 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3lh6 s VAL 151 N -2.17 0.44 -0.05 1.97 1.01 -0.40 -0.53 120.40 120.68 3lh6 s VAL 151 Ca 0.17 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3lh6 s VAL 151 Cb -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3lh6 s VAL 151 CO 0.08 -0.22 -0.21 -0.76 0.00 0.00 0.00 175.10 173.99 3lh6 s LEU 152 N -1.06 1.99 -0.21 3.92 1.43 0.54 -1.11 118.68 124.18 3lh6 s LEU 152 Ca -0.06 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3lh6 s LEU 152 Cb -0.07 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 3lh6 s LEU 152 CO 0.00 0.20 -0.06 -0.04 0.23 0.00 0.00 176.35 176.67 3lh6 s MET 153 N -0.05 3.35 -0.55 1.70 -1.94 0.27 0.05 119.30 122.12 3lh6 s MET 153 Ca -0.04 -0.64 -0.22 0.00 -1.71 0.00 0.00 55.69 53.07 3lh6 s MET 153 Cb -0.13 -2.94 0.05 0.00 2.01 0.00 0.00 34.83 33.82 3lh6 s MET 153 CO 0.03 -0.17 0.83 0.34 -0.01 0.00 0.00 175.02 176.05 3lh6 s ASP 154 N 1.37 6.27 -0.24 3.03 2.15 -0.27 0.61 116.67 129.59 3lh6 s ASP 154 Ca 0.05 -0.67 -0.09 0.00 0.43 0.00 0.00 52.55 52.26 3lh6 s ASP 154 Cb -0.14 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3lh6 s ASP 154 CO -0.04 -1.14 0.13 -0.63 -0.17 0.00 0.00 175.17 173.32 3lh6 s ILE 155 N 3.48 5.03 -0.05 4.11 1.01 -0.44 -1.19 121.20 133.15 3lh6 s ILE 155 Ca 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 3lh6 s ILE 155 Cb -0.16 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3lh6 s ILE 155 CO 0.15 0.35 0.11 -1.58 0.00 0.00 0.00 174.94 173.98 3lh6 s GLN 156 N 1.12 0.08 6.17 2.79 0.74 -0.32 -2.56 119.66 127.69 3lh6 s GLN 156 Ca 0.06 0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.73 3lh6 s GLN 156 Cb -0.14 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 33.87 3lh6 s GLN 156 CO 0.04 -0.11 0.00 0.00 -0.55 0.00 0.00 175.29 174.68 3lh6 n ALA 157 N 3.76 0.00 -1.34 1.58 0.00 -1.26 -1.08 120.51 122.17 3lh6 n ALA 157 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 3lh6 n ALA 157 Cb 0.54 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.18 3lh6 n ALA 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3lh6 n SER 158 N 5.58 3.37 -3.96 0.00 7.64 -1.26 -4.39 113.62 120.59 3lh6 n SER 158 Ca 0.00 -3.70 -0.19 0.00 1.01 0.00 0.00 58.87 56.00 3lh6 n SER 158 Cb 0.00 -0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 62.29 3lh6 n SER 158 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3lh6 s THR 159 N -3.36 0.60 -0.14 0.44 2.01 -0.24 -1.38 115.64 113.57 3lh6 s THR 159 Ca 0.52 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 3lh6 s THR 159 Cb 0.45 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 72.44 3lh6 s THR 159 CO 0.06 0.20 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.42 3lh6 s VAL 160 N 0.25 1.17 -0.29 3.82 1.01 0.22 -1.17 120.40 125.41 3lh6 s VAL 160 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3lh6 s VAL 160 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3lh6 s VAL 160 CO 0.00 0.29 0.19 -0.69 0.00 0.00 0.00 175.10 174.89 3lh6 s VAL 161 N 1.63 5.21 -0.23 2.92 1.01 -0.34 -1.23 120.40 129.38 3lh6 s VAL 161 Ca 0.03 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3lh6 s VAL 161 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3lh6 s VAL 161 CO -0.08 0.20 0.37 -0.89 0.00 0.00 0.00 175.10 174.70 3lh6 s THR 162 N 1.74 5.21 -0.29 3.92 2.01 -0.30 -1.11 115.64 126.81 3lh6 s THR 162 Ca 0.07 0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 3lh6 s THR 162 Cb -0.16 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3lh6 s THR 162 CO 0.10 0.23 0.12 -0.31 -0.69 0.00 0.00 174.62 174.08 3lh6 s TYR 163 N 1.51 3.15 -0.36 4.92 1.51 0.11 -1.37 117.35 126.82 3lh6 s TYR 163 Ca 0.17 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 3lh6 s TYR 163 Cb -0.15 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.38 3lh6 s TYR 163 CO 0.08 -0.44 0.41 0.08 -1.11 0.00 0.00 175.55 174.57 3lh6 s VAL 164 N 1.60 5.12 -0.11 0.71 1.01 -0.41 -0.34 120.40 127.97 3lh6 s VAL 164 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3lh6 s VAL 164 Cb -0.17 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3lh6 s VAL 164 CO 0.05 -0.20 0.27 -0.31 0.00 0.00 0.00 175.10 174.90 3lh6 s TYR 165 N 2.12 3.56 0.01 5.22 1.51 0.31 -2.26 117.35 127.83 3lh6 s TYR 165 Ca 0.13 0.66 -0.08 0.00 -1.01 0.00 0.00 57.07 56.77 3lh6 s TYR 165 Cb -0.16 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 3lh6 s TYR 165 CO 0.13 0.49 0.15 1.14 -1.11 0.00 0.00 175.55 176.35 3lh6 s GLN 166 N -0.36 0.54 -0.97 -0.62 -2.07 -0.83 -1.40 119.66 113.95 3lh6 s GLN 166 Ca 0.17 -0.46 -0.10 0.00 -1.82 0.00 0.00 55.36 53.15 3lh6 s GLN 166 Cb -0.13 0.22 0.25 0.00 -1.09 0.00 0.00 33.01 32.26 3lh6 s GLN 166 CO 0.06 -0.14 0.94 -1.17 -1.32 0.00 0.00 175.29 173.66 3lh6 s LEU 167 N -1.58 6.42 -1.20 2.60 0.20 0.09 -1.03 118.68 124.18 3lh6 s LEU 167 Ca -0.12 -3.24 -0.11 0.00 0.69 0.00 0.00 54.13 51.35 3lh6 s LEU 167 Cb -0.06 -2.18 0.20 0.00 -0.43 0.00 0.00 46.19 43.73 3lh6 s LEU 167 CO 0.00 -0.39 1.50 -0.38 -0.29 0.00 0.00 176.35 176.80 3lh6 n ILE 168 N 3.18 4.43 -0.80 6.68 5.41 -0.59 -4.57 119.36 133.10 3lh6 n ILE 168 Ca 0.19 -4.86 0.00 0.00 1.00 0.00 0.00 62.75 59.08 3lh6 n ILE 168 Cb 0.42 -2.42 0.00 0.00 -0.71 0.00 0.00 39.64 36.93 3lh6 n ILE 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3lh6 n GLY 169 N 3.29 0.59 0.10 7.39 0.00 -1.26 -3.86 105.19 111.44 3lh6 n GLY 169 Ca 0.35 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3lh6 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lh6 h ASP 170 N 1.80 0.06 -3.83 1.61 3.45 -2.02 -3.45 116.42 114.04 3lh6 h ASP 170 Ca 0.00 0.02 -0.48 0.00 0.43 0.00 0.00 57.03 57.00 3lh6 h ASP 170 Cb 0.00 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3lh6 h ASP 170 CO 0.00 0.06 0.17 -1.81 -1.57 0.00 0.00 179.24 176.10 3lh6 s ASP 171 N -5.28 6.75 -0.11 6.45 1.01 -1.25 -5.07 116.67 119.17 3lh6 s ASP 171 Ca -0.13 1.36 -0.18 0.00 0.71 0.00 0.00 52.55 54.31 3lh6 s ASP 171 Cb 0.09 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3lh6 s ASP 171 CO 0.68 -0.30 0.47 -0.69 0.21 0.00 0.00 175.17 175.54 3lh6 s VAL 172 N -2.14 5.17 -0.03 -1.27 1.01 -1.26 -1.54 120.40 120.34 3lh6 s VAL 172 Ca 0.56 0.95 0.04 0.00 0.00 0.00 0.00 61.98 63.52 3lh6 s VAL 172 Cb -0.10 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3lh6 s VAL 172 CO 0.20 0.35 -0.13 -0.54 0.00 0.00 0.00 175.10 174.97 3lh6 s LYS 173 N 0.48 1.35 -0.10 2.72 1.02 -0.20 -4.96 119.74 120.05 3lh6 s LYS 173 Ca 0.26 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.78 3lh6 s LYS 173 Cb -0.15 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.96 3lh6 s LYS 173 CO 0.11 0.21 -0.12 0.08 -0.92 0.00 0.00 175.35 174.70 3lh6 s VAL 174 N 0.03 1.25 -0.14 3.17 1.01 -1.26 -1.97 120.40 122.49 3lh6 s VAL 174 Ca -0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3lh6 s VAL 174 Cb -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3lh6 s VAL 174 CO 0.01 0.40 0.07 -0.70 0.00 0.00 0.00 175.10 174.88 3lh6 s GLU 175 N 1.20 3.59 -0.33 2.72 2.12 -0.96 -4.95 118.70 122.10 3lh6 s GLU 175 Ca -0.03 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.03 3lh6 s GLU 175 Cb -0.14 -3.12 0.09 0.00 0.26 0.00 0.00 34.13 31.22 3lh6 s GLU 175 CO -0.03 0.53 0.03 0.50 -0.54 0.00 0.00 175.26 175.75 3lh6 s ARG 176 N -0.35 1.82 -0.24 4.30 3.52 -1.26 -1.29 118.95 125.45 3lh6 s ARG 176 Ca 0.09 -1.69 -0.10 0.00 -0.13 0.00 0.00 55.73 53.90 3lh6 s ARG 176 Cb -0.12 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3lh6 s ARG 176 CO 0.02 -0.85 0.15 0.42 -0.81 0.00 0.00 175.30 174.23 3lh6 s ILE 177 N 1.02 5.29 0.51 4.11 1.01 -0.47 -4.94 121.20 127.72 3lh6 s ILE 177 Ca 0.05 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 3lh6 s ILE 177 Cb -0.20 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 3lh6 s ILE 177 CO -0.06 0.34 0.93 -0.70 0.00 0.00 0.00 174.94 175.45 3lh6 s GLU 178 N 1.12 3.80 -0.29 2.79 2.12 -1.26 -1.15 118.70 125.83 3lh6 s GLU 178 Ca 0.07 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.16 3lh6 s GLU 178 Cb -0.14 -2.20 0.18 0.00 0.26 0.00 0.00 34.13 32.23 3lh6 s GLU 178 CO 0.05 -0.28 0.54 -0.47 -0.54 0.00 0.00 175.26 174.56 3lh6 s TYR 179 N -2.70 -1.56 -0.20 5.30 5.04 -0.37 -4.93 117.35 117.95 3lh6 s TYR 179 Ca 0.55 1.06 -0.11 0.00 -2.44 0.00 0.00 57.07 56.14 3lh6 s TYR 179 Cb -0.10 0.26 -0.05 0.00 0.35 0.00 0.00 41.96 42.42 3lh6 s TYR 179 CO 0.37 -0.99 0.17 0.21 -1.34 0.00 0.00 175.55 173.98 3lh6 s LYS 180 N 2.76 4.18 0.06 4.97 2.47 -1.26 -0.61 119.74 132.31 3lh6 s LYS 180 Ca 0.13 -0.16 -0.29 0.00 -1.56 0.00 0.00 55.97 54.09 3lh6 s LYS 180 Cb -0.12 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 3lh6 s LYS 180 CO -0.25 0.24 0.91 0.21 0.16 0.00 0.00 175.35 176.63 3lh6 s LYS 181 N 0.52 4.61 0.00 4.03 2.20 -0.48 -5.03 119.74 125.60 3lh6 s LYS 181 Ca 0.10 1.34 0.29 0.00 -0.36 0.00 0.00 55.97 57.33 3lh6 s LYS 181 Cb -0.12 -3.40 1.17 0.00 -1.51 0.00 0.00 37.83 33.98 3lh6 s LYS 181 CO 0.00 0.16 1.81 0.43 -0.36 0.00 0.00 175.35 177.39