#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hx9 s SER 4 N 0.00 0.12 -0.05 0.00 0.15 -1.26 -1.68 113.70 110.98 2hx9 s SER 4 Ca 0.00 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 2hx9 s SER 4 Cb 0.00 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2hx9 s SER 4 CO 0.00 -0.66 0.13 0.54 1.20 0.00 0.00 173.24 174.45 2hx9 s VAL 5 N -3.45 0.00 -0.20 4.45 0.11 -0.27 -4.95 120.40 116.09 2hx9 s VAL 5 Ca 0.02 -0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 2hx9 s VAL 5 Cb 0.03 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 2hx9 s VAL 5 CO -0.09 -0.01 0.13 -1.81 -3.33 0.00 0.00 175.10 169.99 2hx9 s ASP 6 N 0.02 6.15 -0.02 3.54 1.01 -1.26 -1.16 116.67 124.95 2hx9 s ASP 6 Ca -0.00 0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.51 2hx9 s ASP 6 Cb -0.01 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 2hx9 s ASP 6 CO 0.00 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.78 2hx9 s ILE 7 N 0.41 1.19 -0.08 0.77 1.01 0.11 -4.96 121.20 119.65 2hx9 s ILE 7 Ca 0.08 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2hx9 s ILE 7 Cb -0.11 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2hx9 s ILE 7 CO -0.01 0.34 -0.08 -1.10 0.00 0.00 0.00 174.94 174.09 2hx9 s GLN 8 N -0.14 2.84 -0.14 2.79 -0.21 -1.26 -0.57 119.66 122.97 2hx9 s GLN 8 Ca 0.01 -0.57 -0.00 0.00 0.02 0.00 0.00 55.36 54.82 2hx9 s GLN 8 Cb -0.08 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.32 2hx9 s GLN 8 CO 0.00 0.60 -0.12 0.20 -2.12 0.00 0.00 175.29 173.85 2hx9 s GLY 9 N -0.64 1.55 0.42 3.09 0.00 -0.42 -1.50 107.32 109.82 2hx9 s GLY 9 Ca 0.10 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.95 2hx9 s GLY 9 CO 0.02 -0.14 0.38 1.16 0.00 0.00 0.00 173.10 174.51 2hx9 n ASN 10 N 3.62 2.17 0.00 1.64 0.23 -0.58 -3.52 115.26 118.83 2hx9 n ASN 10 Ca -0.18 -2.37 0.06 0.00 -0.53 0.00 0.00 54.58 51.55 2hx9 n ASN 10 Cb 0.53 -0.10 0.25 0.00 -2.08 0.00 0.00 39.78 38.38 2hx9 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2hx9 n ASP 11 N -2.01 0.02 -1.47 0.53 8.00 -1.25 -2.30 116.55 118.07 2hx9 n ASP 11 Ca 0.02 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.10 2hx9 n ASP 11 Cb 0.47 -0.51 0.32 0.00 -0.02 0.00 0.00 41.12 41.38 2hx9 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hx9 n GLN 12 N -1.53 3.51 -3.66 -1.24 3.00 -1.26 -4.95 117.38 111.26 2hx9 n GLN 12 Ca 0.03 -2.54 -0.25 0.00 -0.01 0.00 0.00 57.00 54.22 2hx9 n GLN 12 Cb 0.13 -1.86 0.07 0.00 0.00 0.00 0.00 30.24 28.58 2hx9 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2hx9 n MET 13 N 0.94 -7.32 -5.06 -1.09 2.81 -0.97 -5.01 117.12 101.41 2hx9 n MET 13 Ca 0.23 0.78 -0.28 0.00 -1.81 0.00 0.00 57.70 56.61 2hx9 n MET 13 Cb 0.83 -5.79 -0.16 0.00 -0.71 0.00 0.00 33.22 27.39 2hx9 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2hx9 s GLN 14 N -6.31 1.89 0.45 0.03 -0.21 -1.26 -4.25 119.66 110.00 2hx9 s GLN 14 Ca 0.55 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 55.00 2hx9 s GLN 14 Cb -0.25 -1.75 -0.08 0.00 1.00 0.00 0.00 33.01 31.92 2hx9 s GLN 14 CO 0.75 0.42 0.91 -0.06 -2.12 0.00 0.00 175.29 175.19 2hx9 s PHE 15 N -0.37 3.42 -0.74 0.91 0.08 -1.26 -1.53 117.98 118.50 2hx9 s PHE 15 Ca 0.05 1.38 0.08 0.00 0.12 0.00 0.00 56.93 58.56 2hx9 s PHE 15 Cb -0.10 -2.70 0.45 0.00 -0.57 0.00 0.00 43.02 40.10 2hx9 s PHE 15 CO 0.00 -0.21 1.22 0.27 -0.10 0.00 0.00 175.22 176.40 2hx9 n ASN 16 N -1.21 3.52 -3.79 1.36 6.94 -0.56 -4.75 115.26 116.77 2hx9 n ASN 16 Ca 0.05 -2.47 -0.13 0.00 -0.02 0.00 0.00 54.58 52.02 2hx9 n ASN 16 Cb 0.54 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.30 2hx9 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2hx9 s THR 17 N -1.93 0.06 -0.05 5.53 -1.32 -1.26 -4.95 115.64 111.72 2hx9 s THR 17 Ca 0.31 -0.46 0.07 0.00 -1.21 0.00 0.00 61.69 60.39 2hx9 s THR 17 Cb 0.22 -0.55 0.10 0.00 -1.51 0.00 0.00 72.50 70.77 2hx9 s THR 17 CO 0.10 -0.25 0.98 -0.46 -2.21 0.00 0.00 174.62 172.78 2hx9 n ASN 18 N 1.52 1.60 -3.57 8.08 0.23 -1.26 -4.83 115.26 117.03 2hx9 n ASN 18 Ca -0.21 -2.25 -0.12 0.00 -0.53 0.00 0.00 54.58 51.48 2hx9 n ASN 18 Cb 0.56 -0.18 -0.11 0.00 -2.08 0.00 0.00 39.78 37.98 2hx9 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hx9 s ALA 19 N -1.40 -0.79 -0.17 -2.53 0.00 -1.26 -1.33 121.76 114.29 2hx9 s ALA 19 Ca 0.11 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 2hx9 s ALA 19 Cb 0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2hx9 s ALA 19 CO 0.01 -0.88 0.04 0.42 0.00 0.00 0.00 175.76 175.36 2hx9 s ILE 20 N 2.49 4.64 -0.21 0.00 1.01 0.60 -4.97 121.20 124.75 2hx9 s ILE 20 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 2hx9 s ILE 20 Cb -0.13 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2hx9 s ILE 20 CO -0.12 0.48 -0.04 -0.89 0.00 0.00 0.00 174.94 174.37 2hx9 s THR 21 N 0.26 3.45 -0.31 2.92 2.01 -1.26 -1.01 115.64 121.71 2hx9 s THR 21 Ca 0.03 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2hx9 s THR 21 Cb -0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2hx9 s THR 21 CO 0.01 0.43 0.28 -0.69 -0.69 0.00 0.00 174.62 173.95 2hx9 s VAL 22 N 1.37 5.25 0.25 3.82 1.01 0.77 -4.96 120.40 127.91 2hx9 s VAL 22 Ca 0.04 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 2hx9 s VAL 22 Cb -0.14 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 2hx9 s VAL 22 CO -0.02 0.08 1.67 -0.62 0.00 0.00 0.00 175.10 176.21 2hx9 s ASP 23 N 1.72 6.36 0.54 3.32 -1.08 -1.26 -0.39 116.67 125.89 2hx9 s ASP 23 Ca 0.09 2.92 0.25 0.00 -0.52 0.00 0.00 52.55 55.29 2hx9 s ASP 23 Cb -0.16 -2.62 1.43 0.00 -1.46 0.00 0.00 42.92 40.11 2hx9 s ASP 23 CO 0.11 -0.96 2.03 0.07 0.52 0.00 0.00 175.17 176.95 2hx9 h LYS 24 N 5.87 0.00 0.00 4.34 5.09 -0.03 -1.55 116.57 130.30 2hx9 h LYS 24 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2hx9 h LYS 24 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 2hx9 h LYS 24 CO 0.88 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 178.90 2hx9 h SER 25 N 0.00 0.00 -2.77 7.07 4.64 -1.90 -3.45 113.55 117.14 2hx9 h SER 25 Ca 0.18 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.97 2hx9 h SER 25 Cb 0.76 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.90 2hx9 h SER 25 CO -0.00 0.00 0.92 0.00 -0.87 0.00 0.00 176.83 176.88 2hx9 h LYS 27 N 6.90 0.35 -5.87 0.00 3.64 -1.90 -3.42 116.57 116.27 2hx9 h LYS 27 Ca -0.43 -0.53 -0.51 0.00 -1.27 0.00 0.00 60.65 57.91 2hx9 h LYS 27 Cb 1.20 0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 33.05 2hx9 h LYS 27 CO 0.93 1.23 -0.76 -0.65 -2.27 0.00 0.00 179.45 177.92 2hx9 s GLN 28 N -2.65 1.36 -0.01 1.90 -0.21 -1.26 -0.95 119.66 117.84 2hx9 s GLN 28 Ca -0.13 -1.53 0.03 0.00 0.02 0.00 0.00 55.36 53.75 2hx9 s GLN 28 Cb 0.02 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 2hx9 s GLN 28 CO 0.84 0.25 -0.10 0.12 -2.12 0.00 0.00 175.29 174.28 2hx9 s PHE 29 N -2.43 0.91 -0.08 0.91 5.36 -0.29 -4.84 117.98 117.53 2hx9 s PHE 29 Ca 0.20 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 2hx9 s PHE 29 Cb -0.04 -0.59 -0.00 0.00 -0.34 0.00 0.00 43.02 42.05 2hx9 s PHE 29 CO 0.08 -0.02 -0.21 0.99 -1.46 0.00 0.00 175.22 174.59 2hx9 s THR 30 N -0.21 1.83 -0.22 0.12 2.01 -0.68 -1.37 115.64 117.12 2hx9 s THR 30 Ca 0.03 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 2hx9 s THR 30 Cb -0.04 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 2hx9 s THR 30 CO -0.00 0.51 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 2hx9 s VAL 31 N 0.23 4.06 -0.45 3.82 1.01 0.20 -1.11 120.40 128.15 2hx9 s VAL 31 Ca -0.12 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2hx9 s VAL 31 Cb -0.16 -2.86 0.10 0.00 0.00 0.00 0.00 36.38 33.46 2hx9 s VAL 31 CO 0.06 0.40 0.32 0.20 0.00 0.00 0.00 175.10 176.08 2hx9 s ASN 32 N 1.23 5.75 -0.06 3.32 0.01 -0.31 -1.47 114.94 123.40 2hx9 s ASN 32 Ca 0.04 -1.67 -0.17 0.00 -0.71 0.00 0.00 52.86 50.35 2hx9 s ASN 32 Cb -0.15 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 2hx9 s ASN 32 CO 0.02 -0.63 0.44 -0.22 -1.51 0.00 0.00 177.10 175.20 2hx9 s LEU 33 N 1.43 4.37 0.35 0.60 2.96 0.51 -0.71 118.68 128.19 2hx9 s LEU 33 Ca 0.04 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 2hx9 s LEU 33 Cb -0.25 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 2hx9 s LEU 33 CO 0.01 0.15 0.17 -0.94 -1.32 0.00 0.00 176.35 174.43 2hx9 s SER 34 N -0.15 2.08 -0.41 3.68 1.04 0.27 -1.35 113.70 118.86 2hx9 s SER 34 Ca 0.24 -1.65 0.04 0.00 0.48 0.00 0.00 55.95 55.06 2hx9 s SER 34 Cb -0.16 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.60 2hx9 s SER 34 CO 0.11 -0.94 0.36 -2.28 0.98 0.00 0.00 173.24 171.47 2hx9 s HIS 35 N -3.41 0.56 0.86 5.02 2.46 -1.20 -1.30 115.29 118.28 2hx9 s HIS 35 Ca 0.32 -1.84 -0.12 0.00 0.47 0.00 0.00 55.06 53.89 2hx9 s HIS 35 Cb 0.03 -0.71 0.11 0.00 -0.13 0.00 0.00 32.58 31.88 2hx9 s HIS 35 CO 0.19 -0.90 1.16 -2.30 -2.47 0.00 0.00 174.74 170.42 2hx9 n PRO 36 N 3.22 -0.12 0.00 2.88 -0.02 -1.23 -1.66 135.00 138.07 2hx9 n PRO 36 Ca 0.23 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2hx9 n PRO 36 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2hx9 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hx9 n GLY 37 N 0.44 0.47 2.78 -1.23 0.00 -1.26 -3.78 105.19 102.62 2hx9 n GLY 37 Ca 0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 2hx9 n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hx9 n ASN 38 N 0.45 0.69 -4.13 1.61 5.15 -1.26 -4.60 115.26 113.16 2hx9 n ASN 38 Ca 0.00 -2.13 -0.23 0.00 -0.60 0.00 0.00 54.58 51.62 2hx9 n ASN 38 Cb 0.00 -0.14 -0.15 0.00 -0.53 0.00 0.00 39.78 38.96 2hx9 n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hx9 s LEU 39 N -3.83 2.06 0.80 1.20 1.43 -1.26 -5.04 118.68 114.04 2hx9 s LEU 39 Ca 0.22 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2hx9 s LEU 39 Cb 0.37 -0.75 0.07 0.00 0.03 0.00 0.00 46.19 45.91 2hx9 s LEU 39 CO -0.06 0.16 1.12 -2.16 0.23 0.00 0.00 176.35 175.65 2hx9 s PRO 40 N -0.50 2.06 0.48 1.29 0.04 -1.26 -1.17 135.00 135.94 2hx9 s PRO 40 Ca 0.05 0.40 0.15 0.00 0.04 0.00 0.00 61.00 61.64 2hx9 s PRO 40 Cb -0.06 -1.94 1.15 0.00 0.04 0.00 0.00 34.50 33.70 2hx9 s PRO 40 CO -0.00 -1.58 2.07 -0.22 0.04 0.00 0.00 177.00 177.31 2hx9 h LYS 41 N -1.05 0.20 -0.10 4.56 3.64 -1.83 -0.61 116.57 121.37 2hx9 h LYS 41 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2hx9 h LYS 41 Cb 1.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2hx9 h LYS 41 CO 0.63 0.13 0.00 0.27 -2.27 0.00 0.00 179.45 178.21 2hx9 n ASN 42 N -4.49 0.76 -0.00 4.20 6.94 -1.26 -2.02 115.26 119.39 2hx9 n ASN 42 Ca 0.03 -1.70 -0.01 0.00 -0.02 0.00 0.00 54.58 52.88 2hx9 n ASN 42 Cb 0.22 -0.07 -0.00 0.00 -2.36 0.00 0.00 39.78 37.57 2hx9 n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2hx9 n VAL 43 N -0.22 0.18 -3.20 3.53 0.31 -0.44 -4.93 118.33 113.57 2hx9 n VAL 43 Ca 0.12 0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.24 2hx9 n VAL 43 Cb 0.16 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 2hx9 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2hx9 n MET 44 N -3.10 0.86 -3.37 5.55 0.00 -0.37 -5.02 117.12 111.68 2hx9 n MET 44 Ca -0.02 -3.33 -0.34 0.00 -0.00 0.00 0.00 57.70 54.01 2hx9 n MET 44 Cb 0.46 -1.33 -0.06 0.00 0.00 0.00 0.00 33.22 32.29 2hx9 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2hx9 s GLY 45 N -1.42 2.38 0.02 -5.12 0.00 -0.86 -4.63 107.32 97.70 2hx9 s GLY 45 Ca 0.36 -0.18 0.06 0.00 0.00 0.00 0.00 44.72 44.96 2hx9 s GLY 45 CO -0.10 0.04 -0.17 0.30 0.00 0.00 0.00 173.10 173.16 2hx9 s HIS 46 N -1.63 1.53 0.46 1.90 3.76 -0.42 -4.88 115.29 116.03 2hx9 s HIS 46 Ca 0.42 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2hx9 s HIS 46 Cb -0.13 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 2hx9 s HIS 46 CO 0.20 0.04 0.06 0.27 -0.85 0.00 0.00 174.74 174.46 2hx9 n ASN 47 N 2.15 2.45 -3.92 1.40 0.23 -1.26 -0.24 115.26 116.06 2hx9 n ASN 47 Ca -0.16 -3.19 -0.24 0.00 -0.53 0.00 0.00 54.58 50.46 2hx9 n ASN 47 Cb 0.54 0.65 -0.17 0.00 -2.08 0.00 0.00 39.78 38.72 2hx9 n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 2hx9 s TRP 48 N -2.93 1.17 -0.01 -2.53 -0.00 -1.26 -3.91 118.94 109.46 2hx9 s TRP 48 Ca 0.09 -0.46 0.01 0.00 -0.00 0.00 0.00 56.10 55.75 2hx9 s TRP 48 Cb 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 33.47 32.51 2hx9 s TRP 48 CO 0.06 -0.33 -0.05 0.08 -0.00 0.00 0.00 176.95 176.72 2hx9 s VAL 49 N 1.18 0.41 -0.08 5.86 1.01 0.30 -1.03 120.40 128.05 2hx9 s VAL 49 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2hx9 s VAL 49 Cb -0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 2hx9 s VAL 49 CO -0.02 0.14 -0.24 -0.22 0.00 0.00 0.00 175.10 174.77 2hx9 s LEU 50 N 0.20 2.05 0.27 3.92 2.96 -0.53 -0.93 118.68 126.62 2hx9 s LEU 50 Ca -0.02 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2hx9 s LEU 50 Cb -0.06 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 2hx9 s LEU 50 CO -0.00 0.19 0.42 -0.94 -1.32 0.00 0.00 176.35 174.70 2hx9 s SER 51 N 0.13 0.21 0.80 3.68 1.04 -0.64 -0.64 113.70 118.28 2hx9 s SER 51 Ca -0.12 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.02 2hx9 s SER 51 Cb -0.16 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.62 2hx9 s SER 51 CO 0.06 -1.14 1.21 0.42 0.98 0.00 0.00 173.24 174.77 2hx9 s THR 52 N -3.76 2.04 0.32 2.02 -4.23 -1.26 -1.04 115.64 109.73 2hx9 s THR 52 Ca 0.27 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2hx9 s THR 52 Cb 0.01 -2.44 0.29 0.00 1.34 0.00 0.00 72.50 71.70 2hx9 s THR 52 CO 0.13 -0.01 1.90 0.00 -0.54 0.00 0.00 174.62 176.09 2hx9 h ALA 53 N -0.86 1.61 -0.10 3.99 0.00 -0.98 -2.13 119.26 120.79 2hx9 h ALA 53 Ca -0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2hx9 h ALA 53 Cb 1.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2hx9 h ALA 53 CO 0.46 0.22 -0.26 0.00 0.00 0.00 0.00 179.25 179.68 2hx9 h ALA 54 N 1.55 1.38 0.00 0.00 0.00 -1.91 -3.01 119.26 117.26 2hx9 h ALA 54 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hx9 h ALA 54 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hx9 h ALA 54 CO -0.17 0.43 -0.61 -0.25 0.00 0.00 0.00 179.25 178.66 2hx9 n ASP 55 N -4.17 0.57 -0.01 0.00 8.00 -0.84 -4.46 116.55 115.64 2hx9 n ASP 55 Ca -0.01 -0.24 -0.09 0.00 0.71 0.00 0.00 54.79 55.15 2hx9 n ASP 55 Cb 0.35 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 2hx9 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2hx9 h MET 56 N 0.00 -0.08 -0.69 -1.24 1.85 -1.30 -1.61 114.93 111.86 2hx9 h MET 56 Ca 0.00 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2hx9 h MET 56 Cb 0.56 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.56 2hx9 h MET 56 CO 0.00 -0.05 0.43 0.37 -0.40 0.00 0.00 176.91 177.26 2hx9 h GLN 57 N -0.08 0.80 -0.46 0.39 5.75 -1.80 -0.58 115.11 119.14 2hx9 h GLN 57 Ca 0.08 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.41 2hx9 h GLN 57 Cb 0.20 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2hx9 h GLN 57 CO -0.19 0.53 -0.21 0.78 -2.65 0.00 0.00 178.83 177.09 2hx9 h GLY 58 N 0.83 1.03 0.98 2.39 0.00 -1.77 -0.43 103.07 106.11 2hx9 h GLY 58 Ca 0.28 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2hx9 h GLY 58 CO -0.12 0.84 0.20 -2.08 0.00 0.00 0.00 176.54 175.38 2hx9 h VAL 59 N 0.79 1.11 0.27 4.60 2.07 -0.99 -1.06 116.25 123.05 2hx9 h VAL 59 Ca 0.10 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2hx9 h VAL 59 Cb 0.79 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2hx9 h VAL 59 CO 0.06 0.11 -0.13 0.58 0.02 0.00 0.00 177.57 178.22 2hx9 h VAL 60 N 0.43 0.76 -0.24 2.57 2.07 -0.95 0.17 116.25 121.07 2hx9 h VAL 60 Ca 0.12 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2hx9 h VAL 60 Cb 0.00 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2hx9 h VAL 60 CO -0.02 0.04 -0.07 0.74 0.02 0.00 0.00 177.57 178.28 2hx9 h THR 61 N -0.47 0.73 -0.07 2.57 2.02 -1.02 0.17 112.91 116.85 2hx9 h THR 61 Ca -0.04 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 2hx9 h THR 61 Cb 0.35 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2hx9 h THR 61 CO 0.06 0.00 -0.66 0.44 0.37 0.00 0.00 175.52 175.73 2hx9 h ASP 62 N -0.02 0.33 -0.04 4.18 3.32 -1.18 -2.13 116.42 120.88 2hx9 h ASP 62 Ca 0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2hx9 h ASP 62 Cb 0.20 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2hx9 h ASP 62 CO -0.26 0.90 -0.01 1.23 -1.72 0.00 0.00 179.24 179.38 2hx9 h GLY 63 N 1.46 0.09 0.25 2.75 0.00 -0.32 -2.04 103.07 105.25 2hx9 h GLY 63 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.36 2hx9 h GLY 63 CO 0.11 0.07 0.22 -0.33 0.00 0.00 0.00 176.54 176.60 2hx9 h MET 64 N -0.26 0.36 0.00 4.80 2.86 -0.60 -1.60 114.93 120.49 2hx9 h MET 64 Ca 0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2hx9 h MET 64 Cb 0.39 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2hx9 h MET 64 CO 0.00 0.24 -0.24 0.00 1.06 0.00 0.00 176.91 177.97 2hx9 h ALA 65 N 1.48 1.48 0.00 6.32 0.00 -1.30 -2.43 119.26 124.82 2hx9 h ALA 65 Ca 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2hx9 h ALA 65 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2hx9 h ALA 65 CO -0.37 0.30 -0.36 0.77 0.00 0.00 0.00 179.25 179.59 2hx9 h SER 66 N 0.00 0.00 -4.28 0.00 0.02 -0.54 -3.49 113.55 105.26 2hx9 h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hx9 h SER 66 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2hx9 h SER 66 CO 0.03 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2hx9 n GLY 67 N 0.19 -0.97 0.25 -3.77 0.00 -0.91 -4.17 105.19 95.79 2hx9 n GLY 67 Ca -0.00 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.38 2hx9 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hx9 h LEU 68 N 0.00 -0.39 0.00 0.99 5.85 -1.90 -0.55 115.31 119.30 2hx9 h LEU 68 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2hx9 h LEU 68 Cb 0.00 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2hx9 h LEU 68 CO 0.00 -0.16 0.00 -0.67 -0.34 0.00 0.00 178.44 177.27 2hx9 n ASP 69 N -5.35 0.00 -0.76 1.25 -0.08 -1.26 -0.87 116.55 109.48 2hx9 n ASP 69 Ca 0.10 0.44 0.08 0.00 -1.51 0.00 0.00 54.79 53.90 2hx9 n ASP 69 Cb 0.38 -0.47 0.24 0.00 2.34 0.00 0.00 41.12 43.61 2hx9 n ASP 69 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2hx9 n LYS 70 N -1.47 2.57 -2.75 -0.67 4.76 -0.41 -4.95 118.16 115.23 2hx9 n LYS 70 Ca 0.03 -2.82 -0.18 0.00 -2.87 0.00 0.00 58.31 52.47 2hx9 n LYS 70 Cb 0.11 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 2hx9 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2hx9 n ASP 71 N -0.71 -4.73 -3.93 4.39 9.92 -0.05 -2.08 116.55 119.35 2hx9 n ASP 71 Ca 0.21 -0.07 -0.30 0.00 -0.53 0.00 0.00 54.79 54.09 2hx9 n ASP 71 Cb 0.86 -3.93 0.02 0.00 -0.64 0.00 0.00 41.12 37.43 2hx9 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2hx9 n TYR 72 N -3.87 -2.27 -4.20 1.24 4.01 -0.35 -4.79 117.16 106.93 2hx9 n TYR 72 Ca -0.13 0.90 -0.17 0.00 -0.16 0.00 0.00 57.90 58.34 2hx9 n TYR 72 Cb 0.61 -3.94 -0.15 0.00 -0.31 0.00 0.00 39.34 35.55 2hx9 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2hx9 s LEU 73 N -7.27 1.85 0.18 7.72 1.43 -0.89 -3.92 118.68 117.79 2hx9 s LEU 73 Ca 0.65 -0.11 -0.32 0.00 -1.03 0.00 0.00 54.13 53.32 2hx9 s LEU 73 Cb -0.33 -0.35 -0.11 0.00 0.03 0.00 0.00 46.19 45.44 2hx9 s LEU 73 CO 0.84 0.05 1.61 -0.75 0.23 0.00 0.00 176.35 178.32 2hx9 s LYS 74 N 0.09 4.19 0.18 1.70 2.20 -1.26 -4.84 119.74 122.01 2hx9 s LYS 74 Ca -0.01 2.43 -0.33 0.00 -0.36 0.00 0.00 55.97 57.71 2hx9 s LYS 74 Cb -0.05 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 32.99 2hx9 s LYS 74 CO -0.00 -0.65 1.32 -2.30 -0.36 0.00 0.00 175.35 173.36 2hx9 n PRO 75 N 3.94 1.57 -2.30 4.03 -0.02 -1.26 -2.42 135.00 138.54 2hx9 n PRO 75 Ca 0.14 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 2hx9 n PRO 75 Cb 0.38 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2hx9 n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hx9 n ASP 76 N 2.28 -5.83 -4.62 2.55 2.03 -1.26 -4.86 116.55 106.85 2hx9 n ASP 76 Ca 0.14 0.05 -0.43 0.00 0.52 0.00 0.00 54.79 55.08 2hx9 n ASP 76 Cb 0.27 -4.89 -0.03 0.00 -0.72 0.00 0.00 41.12 35.75 2hx9 n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2hx9 s ASP 77 N -2.14 5.88 0.35 1.67 -1.08 -1.02 -4.83 116.67 115.51 2hx9 s ASP 77 Ca 0.00 2.04 0.25 0.00 -0.52 0.00 0.00 52.55 54.32 2hx9 s ASP 77 Cb 0.00 -2.52 1.25 0.00 -1.46 0.00 0.00 42.92 40.19 2hx9 s ASP 77 CO 0.00 -1.60 1.77 0.77 0.52 0.00 0.00 175.17 176.63 2hx9 h SER 78 N 13.10 0.00 1.26 -0.34 4.64 -1.92 -2.38 113.55 127.91 2hx9 h SER 78 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2hx9 h SER 78 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hx9 h SER 78 CO 0.96 0.00 -0.39 0.03 -0.87 0.00 0.00 176.83 176.57 2hx9 h ARG 79 N 0.00 0.00 -6.15 4.77 3.08 -1.97 -3.43 114.38 110.67 2hx9 h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2hx9 h ARG 79 Cb 0.15 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.10 2hx9 h ARG 79 CO 0.00 0.00 0.60 0.08 -1.07 0.00 0.00 179.97 179.58 2hx9 s VAL 80 N -3.18 4.45 0.12 2.04 1.01 -0.90 -4.49 120.40 119.45 2hx9 s VAL 80 Ca 0.07 0.72 -0.14 0.00 0.00 0.00 0.00 61.98 62.62 2hx9 s VAL 80 Cb 0.11 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2hx9 s VAL 80 CO 0.69 -0.88 1.50 0.40 0.00 0.00 0.00 175.10 176.81 2hx9 h ILE 81 N 6.08 1.28 -2.46 2.22 2.04 -1.16 -3.47 117.51 122.05 2hx9 h ILE 81 Ca -0.24 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 2hx9 h ILE 81 Cb 1.07 1.33 -0.17 0.00 -0.74 0.00 0.00 36.82 38.31 2hx9 h ILE 81 CO 1.04 0.41 0.12 0.00 0.00 0.00 0.00 178.15 179.72 2hx9 s ALA 82 N -4.69 -1.55 0.03 1.87 0.00 -1.24 -5.02 121.76 111.17 2hx9 s ALA 82 Ca -0.13 0.90 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 2hx9 s ALA 82 Cb 0.10 0.27 0.06 0.00 0.00 0.00 0.00 23.12 23.54 2hx9 s ALA 82 CO 0.82 -0.47 0.55 -3.38 0.00 0.00 0.00 175.76 173.27 2hx9 s HIS 83 N -2.01 -0.47 0.70 0.00 -3.43 -1.26 -1.46 115.29 107.36 2hx9 s HIS 83 Ca -0.07 0.59 -0.04 0.00 -0.80 0.00 0.00 55.06 54.74 2hx9 s HIS 83 Cb -0.01 0.36 0.09 0.00 -1.43 0.00 0.00 32.58 31.59 2hx9 s HIS 83 CO 0.02 -0.64 0.98 0.95 -2.00 0.00 0.00 174.74 174.05 2hx9 s THR 84 N -2.23 2.30 0.95 -5.38 -4.23 -0.20 -4.80 115.64 102.06 2hx9 s THR 84 Ca -0.06 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 2hx9 s THR 84 Cb -0.01 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.14 2hx9 s THR 84 CO 0.00 0.00 1.16 -1.59 -0.54 0.00 0.00 174.62 173.65 2hx9 s LYS 85 N -5.15 0.82 0.02 3.99 -2.85 -1.26 -4.58 119.74 110.73 2hx9 s LYS 85 Ca 0.63 0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 55.46 2hx9 s LYS 85 Cb -0.08 -1.81 -0.04 0.00 -2.06 0.00 0.00 37.83 33.84 2hx9 s LYS 85 CO 0.44 -2.39 0.97 -1.17 0.10 0.00 0.00 175.35 173.30 2hx9 s LEU 86 N -6.11 4.40 0.05 2.77 2.96 -1.26 -4.47 118.68 117.01 2hx9 s LEU 86 Ca 0.66 1.68 0.08 0.00 -0.22 0.00 0.00 54.13 56.33 2hx9 s LEU 86 Cb -0.13 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2hx9 s LEU 86 CO 0.53 -0.22 -0.22 0.27 -1.32 0.00 0.00 176.35 175.39 2hx9 s ILE 87 N 0.79 1.81 0.60 6.68 -4.36 0.67 -4.90 121.20 122.49 2hx9 s ILE 87 Ca 0.51 -1.27 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 2hx9 s ILE 87 Cb -0.21 -1.57 0.11 0.00 1.25 0.00 0.00 42.46 42.03 2hx9 s ILE 87 CO 0.28 0.25 0.83 0.61 0.24 0.00 0.00 174.94 177.15 2hx9 n GLY 88 N 1.80 1.65 3.73 6.27 0.00 -1.26 -1.29 105.19 116.09 2hx9 n GLY 88 Ca -0.17 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 2hx9 n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hx9 n SER 89 N -2.48 2.99 0.00 1.61 7.64 -0.32 -1.90 113.62 121.16 2hx9 n SER 89 Ca 0.16 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2hx9 n SER 89 Cb 0.58 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2hx9 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hx9 n GLY 90 N 0.68 0.62 3.99 0.23 0.00 -0.66 -4.93 105.19 105.12 2hx9 n GLY 90 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2hx9 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hx9 s GLU 91 N -0.39 2.99 0.03 1.61 2.02 -0.80 -4.99 118.70 119.18 2hx9 s GLU 91 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 2hx9 s GLU 91 Cb 0.00 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.47 2hx9 s GLU 91 CO 0.00 -0.07 0.31 -1.59 0.02 0.00 0.00 175.26 173.94 2hx9 s LYS 92 N -4.23 0.78 -0.07 1.61 -2.85 -1.26 -3.27 119.74 110.44 2hx9 s LYS 92 Ca 0.49 -0.40 -0.21 0.00 -1.00 0.00 0.00 55.97 54.84 2hx9 s LYS 92 Cb -0.09 0.34 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 2hx9 s LYS 92 CO 0.32 -0.24 0.48 0.34 0.10 0.00 0.00 175.35 176.35 2hx9 s ASP 93 N -1.85 -0.43 0.07 0.03 2.15 -0.46 -5.02 116.67 111.17 2hx9 s ASP 93 Ca -0.07 0.53 0.09 0.00 0.43 0.00 0.00 52.55 53.53 2hx9 s ASP 93 Cb -0.02 0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 2hx9 s ASP 93 CO -0.01 -0.43 -0.24 -0.44 -0.17 0.00 0.00 175.17 173.88 2hx9 s SER 94 N -0.88 2.84 -0.00 -0.34 0.01 -1.26 -0.37 113.70 113.71 2hx9 s SER 94 Ca -0.09 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.58 2hx9 s SER 94 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2hx9 s SER 94 CO 0.05 0.17 -0.13 0.54 0.41 0.00 0.00 173.24 174.28 2hx9 s VAL 95 N -0.93 1.02 -0.03 3.43 0.11 -0.54 -4.92 120.40 118.53 2hx9 s VAL 95 Ca 0.10 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.61 2hx9 s VAL 95 Cb -0.10 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2hx9 s VAL 95 CO 0.03 0.25 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.94 2hx9 s THR 96 N -0.37 2.35 0.08 5.04 2.01 -1.26 -0.63 115.64 122.87 2hx9 s THR 96 Ca 0.04 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2hx9 s THR 96 Cb -0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2hx9 s THR 96 CO -0.00 0.58 -0.06 0.72 -0.69 0.00 0.00 174.62 175.17 2hx9 s PHE 97 N -0.62 0.78 -0.02 4.92 -0.71 -0.47 -4.97 117.98 116.88 2hx9 s PHE 97 Ca 0.10 -0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 54.74 2hx9 s PHE 97 Cb -0.10 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 2hx9 s PHE 97 CO -0.00 -0.21 1.08 -0.51 -1.34 0.00 0.00 175.22 174.24 2hx9 s ASP 98 N -2.97 7.21 0.53 1.98 1.01 -1.26 -1.13 116.67 122.03 2hx9 s ASP 98 Ca 0.10 1.75 0.25 0.00 0.71 0.00 0.00 52.55 55.35 2hx9 s ASP 98 Cb 0.06 -2.57 1.45 0.00 1.01 0.00 0.00 42.92 42.87 2hx9 s ASP 98 CO -0.06 -0.41 2.11 0.58 0.21 0.00 0.00 175.17 177.60 2hx9 h VAL 99 N 4.84 0.70 0.00 -1.27 2.07 -1.31 -0.70 116.25 120.59 2hx9 h VAL 99 Ca -0.38 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2hx9 h VAL 99 Cb 1.19 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2hx9 h VAL 99 CO 0.81 0.09 0.28 0.77 0.02 0.00 0.00 177.57 179.55 2hx9 h SER 100 N 0.00 0.00 1.03 0.57 4.64 -1.89 0.11 113.55 118.01 2hx9 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hx9 h SER 100 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2hx9 h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 2hx9 n LYS 101 N -2.73 0.16 -3.99 4.77 5.02 -0.27 -4.82 118.16 116.30 2hx9 n LYS 101 Ca -0.02 0.24 -0.31 0.00 -2.02 0.00 0.00 58.31 56.21 2hx9 n LYS 101 Cb 0.33 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2hx9 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hx9 s LEU 102 N -4.02 4.08 -0.09 -0.35 1.43 0.38 -5.12 118.68 114.98 2hx9 s LEU 102 Ca 0.09 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2hx9 s LEU 102 Cb 0.12 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2hx9 s LEU 102 CO 0.48 0.18 -0.02 -0.75 0.23 0.00 0.00 176.35 176.47 2hx9 s LYS 103 N -2.42 3.05 0.00 1.70 2.36 -1.26 -5.04 119.74 118.13 2hx9 s LYS 103 Ca 0.32 -0.45 0.00 0.00 -2.55 0.00 0.00 55.97 53.29 2hx9 s LYS 103 Cb -0.13 -2.78 0.00 0.00 -1.05 0.00 0.00 37.83 33.87 2hx9 s LYS 103 CO 0.25 0.63 0.00 -0.85 1.55 0.00 0.00 175.35 176.92 2hx9 n GLU 104 N 2.36 0.00 0.00 4.03 0.00 -1.26 -4.69 120.64 121.08 2hx9 n GLU 104 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 2hx9 n GLU 104 Cb 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.53 2hx9 n GLU 104 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hx9 n GLU 106 N 1.74 0.00 -3.22 3.44 4.07 -1.26 -5.06 120.64 120.35 2hx9 n GLU 106 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 2hx9 n GLU 106 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2hx9 n GLU 106 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2hx9 s GLN 107 N -2.72 3.99 0.02 5.31 1.11 -1.26 -4.93 119.66 121.18 2hx9 s GLN 107 Ca 0.00 0.26 0.05 0.00 0.01 0.00 0.00 55.36 55.68 2hx9 s GLN 107 Cb 0.00 -3.68 -0.03 0.00 -1.01 0.00 0.00 33.01 28.29 2hx9 s GLN 107 CO 0.00 -0.42 -0.11 0.71 0.01 0.00 0.00 175.29 175.49 2hx9 s TYR 108 N 2.36 2.76 0.01 0.91 2.02 -1.24 -0.34 117.35 123.84 2hx9 s TYR 108 Ca 0.21 -0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.87 2hx9 s TYR 108 Cb -0.15 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2hx9 s TYR 108 CO 0.10 0.32 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.52 2hx9 s MET 109 N -1.41 1.78 0.23 -0.62 -1.94 -0.20 -1.63 119.30 115.51 2hx9 s MET 109 Ca 0.16 -0.96 0.09 0.00 -1.71 0.00 0.00 55.69 53.28 2hx9 s MET 109 Cb -0.11 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2hx9 s MET 109 CO 0.07 0.49 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.93 2hx9 s PHE 110 N -0.69 2.68 -0.10 -0.03 -0.12 -0.14 -1.63 117.98 117.96 2hx9 s PHE 110 Ca 0.10 -0.21 -0.32 0.00 -0.05 0.00 0.00 56.93 56.44 2hx9 s PHE 110 Cb -0.09 -1.24 0.12 0.00 -0.63 0.00 0.00 43.02 41.17 2hx9 s PHE 110 CO 0.01 0.57 1.05 -0.59 -0.05 0.00 0.00 175.22 176.21 2hx9 s PHE 111 N -2.04 -0.23 -0.25 3.49 -0.71 -0.10 -0.69 117.98 117.44 2hx9 s PHE 111 Ca 0.29 0.14 -0.17 0.00 -1.04 0.00 0.00 56.93 56.14 2hx9 s PHE 111 Cb -0.08 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2hx9 s PHE 111 CO 0.18 -0.37 0.46 0.00 -1.34 0.00 0.00 175.22 174.15 2hx9 h SER 113 N 7.93 0.69 1.17 0.00 4.64 -1.87 0.24 113.55 126.35 2hx9 h SER 113 Ca -0.31 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2hx9 h SER 113 Cb 1.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2hx9 h SER 113 CO 0.70 0.55 0.00 1.55 -0.87 0.00 0.00 176.83 178.76 2hx9 h PRO 114 N 0.76 0.00 -0.10 4.77 0.13 -1.90 -3.24 132.00 132.43 2hx9 h PRO 114 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2hx9 h PRO 114 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hx9 h PRO 114 CO -0.04 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.45 2hx9 n HIS 115 N -2.91 0.14 -0.05 1.56 8.25 -0.89 -4.65 115.22 116.66 2hx9 n HIS 115 Ca 0.02 -0.51 0.03 0.00 -0.26 0.00 0.00 57.72 57.00 2hx9 n HIS 115 Cb 0.34 -0.05 0.37 0.00 1.12 0.00 0.00 29.99 31.77 2hx9 n HIS 115 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2hx9 h GLN 116 N 0.58 0.64 0.00 -0.41 -0.00 -0.56 -1.67 115.11 113.69 2hx9 h GLN 116 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2hx9 h GLN 116 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.92 2hx9 h GLN 116 CO 0.00 0.45 0.00 0.78 0.00 0.00 0.00 178.83 180.06 2hx9 h GLY 117 N 0.69 0.00 -2.06 2.39 0.00 -1.83 -1.52 103.07 100.74 2hx9 h GLY 117 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2hx9 h GLY 117 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 2hx9 n ALA 118 N -2.09 2.50 -0.22 3.60 0.00 -0.70 -4.94 120.51 118.67 2hx9 n ALA 118 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2hx9 n ALA 118 Cb 0.37 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2hx9 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hx9 n GLY 119 N 1.29 0.86 3.54 0.00 0.00 -0.57 -5.02 105.19 105.30 2hx9 n GLY 119 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2hx9 n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hx9 s MET 120 N -0.78 3.98 0.19 1.61 -2.45 -0.78 -4.86 119.30 116.21 2hx9 s MET 120 Ca 0.00 -2.09 -0.22 0.00 -1.25 0.00 0.00 55.69 52.13 2hx9 s MET 120 Cb 0.00 -5.39 0.05 0.00 1.25 0.00 0.00 34.83 30.74 2hx9 s MET 120 CO 0.00 -2.11 0.62 -1.59 1.05 0.00 0.00 175.02 172.98 2hx9 s LYS 121 N 3.54 1.41 0.07 4.11 -2.85 -1.26 -1.72 119.74 123.04 2hx9 s LYS 121 Ca 0.50 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.77 2hx9 s LYS 121 Cb 0.02 0.58 0.02 0.00 -2.06 0.00 0.00 37.83 36.39 2hx9 s LYS 121 CO 0.04 -0.62 0.24 0.41 0.10 0.00 0.00 175.35 175.52 2hx9 n GLY 122 N -0.39 1.34 3.82 0.59 0.00 0.13 -4.80 105.19 105.88 2hx9 n GLY 122 Ca -0.13 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 2hx9 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hx9 s THR 123 N -2.56 4.58 -0.01 2.61 -4.23 -0.44 -0.97 115.64 114.62 2hx9 s THR 123 Ca 0.05 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2hx9 s THR 123 Cb -0.01 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.46 2hx9 s THR 123 CO 0.02 -0.17 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.69 2hx9 s LEU 124 N -3.32 1.63 -0.01 4.79 0.20 -0.65 -0.29 118.68 121.04 2hx9 s LEU 124 Ca 0.32 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 55.10 2hx9 s LEU 124 Cb -0.10 -0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.49 2hx9 s LEU 124 CO 0.24 -0.02 0.01 -0.89 -0.29 0.00 0.00 176.35 175.40 2hx9 s THR 125 N 0.41 -0.02 -0.45 3.68 2.01 -0.18 -3.64 115.64 117.46 2hx9 s THR 125 Ca -0.04 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 2hx9 s THR 125 Cb -0.07 -0.04 0.03 0.00 0.01 0.00 0.00 72.50 72.43 2hx9 s THR 125 CO -0.01 0.03 0.85 -0.22 -0.69 0.00 0.00 174.62 174.58 2hx9 s LEU 126 N 0.38 4.13 0.00 4.42 0.20 -1.26 -0.16 118.68 126.39 2hx9 s LEU 126 Ca -0.03 0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.81 2hx9 s LEU 126 Cb -0.05 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.64 2hx9 s LEU 126 CO -0.01 -0.97 0.39 0.29 -0.29 0.00 0.00 176.35 175.76