#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hx9 s GLU 2 N 0.00 1.15 -0.09 0.00 0.41 -1.26 -5.06 118.70 113.85 2hx9 s GLU 2 Ca 0.00 -0.50 0.19 0.00 -0.41 0.00 0.00 54.97 54.26 2hx9 s GLU 2 Cb 0.00 -1.11 0.43 0.00 -1.78 0.00 0.00 34.13 31.67 2hx9 s GLU 2 CO 0.00 0.29 1.19 0.00 -0.49 0.00 0.00 175.26 176.26 2hx9 s SER 4 N -2.55 -0.01 -0.03 0.00 1.04 -1.26 -1.67 113.70 109.23 2hx9 s SER 4 Ca 0.36 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 2hx9 s SER 4 Cb 0.38 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.91 2hx9 s SER 4 CO -0.13 -0.80 0.09 0.54 0.98 0.00 0.00 173.24 173.93 2hx9 s VAL 5 N -3.86 0.02 -0.15 5.02 0.11 -0.27 -4.94 120.40 116.33 2hx9 s VAL 5 Ca 0.06 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.84 2hx9 s VAL 5 Cb 0.04 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 2hx9 s VAL 5 CO -0.10 -0.10 0.14 -1.81 -3.33 0.00 0.00 175.10 169.90 2hx9 s ASP 6 N -0.30 6.31 0.02 3.54 1.01 -1.26 -0.97 116.67 125.02 2hx9 s ASP 6 Ca -0.04 0.36 0.02 0.00 0.71 0.00 0.00 52.55 53.60 2hx9 s ASP 6 Cb -0.03 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2hx9 s ASP 6 CO 0.00 0.31 -0.06 -0.51 0.21 0.00 0.00 175.17 175.12 2hx9 s ILE 7 N -0.42 0.41 0.02 0.77 2.07 -0.23 -4.95 121.20 118.87 2hx9 s ILE 7 Ca 0.12 -0.65 0.08 0.00 -1.41 0.00 0.00 60.65 58.78 2hx9 s ILE 7 Cb -0.12 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 42.02 2hx9 s ILE 7 CO 0.01 -0.17 -0.23 -1.10 -1.91 0.00 0.00 174.94 171.54 2hx9 s GLN 8 N -0.89 1.67 -0.12 3.50 -0.21 -1.26 -1.19 119.66 121.17 2hx9 s GLN 8 Ca -0.05 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 54.42 2hx9 s GLN 8 Cb -0.06 -1.73 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 2hx9 s GLN 8 CO 0.00 0.46 -0.18 0.20 -2.12 0.00 0.00 175.29 173.65 2hx9 s GLY 9 N -0.92 1.44 0.18 3.09 0.00 -0.38 -1.69 107.32 109.04 2hx9 s GLY 9 Ca 0.09 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.90 2hx9 s GLY 9 CO 0.01 -0.25 0.16 1.16 0.00 0.00 0.00 173.10 174.18 2hx9 n ASN 10 N 3.53 1.37 0.13 1.64 0.23 -0.67 -3.61 115.26 117.89 2hx9 n ASN 10 Ca -0.19 -1.59 0.13 0.00 -0.53 0.00 0.00 54.58 52.40 2hx9 n ASN 10 Cb 0.53 -0.04 0.47 0.00 -2.08 0.00 0.00 39.78 38.65 2hx9 n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2hx9 h ASP 11 N 0.17 0.00 -0.36 0.53 3.32 -1.91 -2.87 116.42 115.31 2hx9 h ASP 11 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2hx9 h ASP 11 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2hx9 h ASP 11 CO 0.17 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 2hx9 n GLN 12 N -2.31 2.38 -3.41 3.56 3.00 -1.26 -4.93 117.38 114.41 2hx9 n GLN 12 Ca 0.03 -1.51 -0.19 0.00 -0.01 0.00 0.00 57.00 55.32 2hx9 n GLN 12 Cb 0.31 -1.55 0.08 0.00 0.00 0.00 0.00 30.24 29.08 2hx9 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 2hx9 n MET 13 N 0.52 -6.71 -4.71 -1.09 1.56 -1.08 -5.01 117.12 100.60 2hx9 n MET 13 Ca 0.14 0.77 -0.24 0.00 -0.27 0.00 0.00 57.70 58.10 2hx9 n MET 13 Cb 0.50 -5.60 -0.16 0.00 2.15 0.00 0.00 33.22 30.11 2hx9 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2hx9 s GLN 14 N -5.72 1.47 0.46 2.12 -0.21 -1.26 -4.56 119.66 111.96 2hx9 s GLN 14 Ca 0.26 -0.53 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2hx9 s GLN 14 Cb -0.12 -1.33 -0.06 0.00 1.00 0.00 0.00 33.01 32.50 2hx9 s GLN 14 CO 0.67 0.24 0.86 -0.06 -2.12 0.00 0.00 175.29 174.88 2hx9 s PHE 15 N -0.02 3.49 -0.56 0.91 0.08 -1.26 -1.67 117.98 118.95 2hx9 s PHE 15 Ca -0.01 1.18 0.11 0.00 0.12 0.00 0.00 56.93 58.32 2hx9 s PHE 15 Cb -0.10 -2.56 0.60 0.00 -0.57 0.00 0.00 43.02 40.39 2hx9 s PHE 15 CO 0.01 -0.26 1.42 0.27 -0.10 0.00 0.00 175.22 176.56 2hx9 n ASN 16 N -1.60 4.38 -3.65 1.36 6.94 -0.68 -4.85 115.26 117.15 2hx9 n ASN 16 Ca 0.04 -2.64 -0.14 0.00 -0.02 0.00 0.00 54.58 51.83 2hx9 n ASN 16 Cb 0.54 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 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 -2.22 0.04 -0.04 5.53 -1.32 -1.26 -4.96 115.64 111.41 2hx9 s THR 17 Ca 0.40 -0.37 0.07 0.00 -1.21 0.00 0.00 61.69 60.58 2hx9 s THR 17 Cb 0.30 -0.90 0.10 0.00 -1.51 0.00 0.00 72.50 70.48 2hx9 s THR 17 CO 0.13 -0.20 1.04 -0.46 -2.21 0.00 0.00 174.62 172.91 2hx9 n ASN 18 N 0.67 2.05 -3.57 8.08 0.23 -1.26 -4.83 115.26 116.63 2hx9 n ASN 18 Ca -0.19 -2.35 -0.03 0.00 -0.53 0.00 0.00 54.58 51.48 2hx9 n ASN 18 Cb 0.59 -0.15 -0.05 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.61 -1.81 -0.10 -2.53 0.00 -1.26 -1.91 121.76 112.54 2hx9 s ALA 19 Ca 0.11 2.00 0.01 0.00 0.00 0.00 0.00 51.96 54.08 2hx9 s ALA 19 Cb 0.10 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2hx9 s ALA 19 CO 0.01 -0.96 -0.12 0.42 0.00 0.00 0.00 175.76 175.12 2hx9 s ILE 20 N 2.81 3.24 -0.06 0.00 1.01 0.06 -4.97 121.20 123.29 2hx9 s ILE 20 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2hx9 s ILE 20 Cb -0.13 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 2hx9 s ILE 20 CO -0.18 0.55 -0.19 0.42 0.00 0.00 0.00 174.94 175.54 2hx9 s THR 21 N -0.17 2.59 -0.24 2.92 -4.23 -1.26 -1.23 115.64 114.02 2hx9 s THR 21 Ca 0.00 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 2hx9 s THR 21 Cb -0.13 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2hx9 s THR 21 CO 0.03 0.57 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.96 2hx9 s VAL 22 N -0.40 3.22 0.04 2.29 1.01 0.45 -4.94 120.40 122.07 2hx9 s VAL 22 Ca 0.04 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2hx9 s VAL 22 Cb -0.12 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 2hx9 s VAL 22 CO 0.02 0.30 1.94 -0.67 0.00 0.00 0.00 175.10 176.69 2hx9 n ASP 23 N 4.75 4.06 0.23 3.32 -0.08 -1.26 -0.23 116.55 127.34 2hx9 n ASP 23 Ca -0.17 0.93 0.15 0.00 -1.51 0.00 0.00 54.79 54.18 2hx9 n ASP 23 Cb 0.49 -1.51 0.79 0.00 2.34 0.00 0.00 41.12 43.24 2hx9 n ASP 23 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2hx9 h LYS 24 N 10.07 0.00 -0.00 -0.67 5.09 -0.83 -0.11 116.57 130.12 2hx9 h LYS 24 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.25 2hx9 h LYS 24 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.57 2hx9 h LYS 24 CO 0.94 0.00 -0.08 0.43 -2.09 0.00 0.00 179.45 178.65 2hx9 n SER 25 N -2.55 0.11 -4.73 7.07 7.64 -1.26 -4.90 113.62 115.00 2hx9 n SER 25 Ca -0.02 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 2hx9 n SER 25 Cb 0.09 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 2hx9 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hx9 h LYS 27 N 6.07 0.64 -4.26 0.00 3.64 -1.90 -3.42 116.57 117.35 2hx9 h LYS 27 Ca -0.44 -0.71 -0.12 0.00 -1.27 0.00 0.00 60.65 58.11 2hx9 h LYS 27 Cb 1.21 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 33.08 2hx9 h LYS 27 CO 0.88 1.29 -0.68 1.14 -2.27 0.00 0.00 179.45 179.81 2hx9 s GLN 28 N -3.28 0.62 0.02 1.90 0.00 -1.26 -1.78 119.66 115.88 2hx9 s GLN 28 Ca -0.09 -1.23 0.03 0.00 -0.00 0.00 0.00 55.36 54.07 2hx9 s GLN 28 Cb 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 33.01 33.26 2hx9 s GLN 28 CO 0.91 -0.11 -0.09 0.12 0.00 0.00 0.00 175.29 176.12 2hx9 s PHE 29 N -3.91 0.80 -0.07 9.60 5.36 0.04 -4.85 117.98 124.95 2hx9 s PHE 29 Ca 0.07 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.78 2hx9 s PHE 29 Cb 0.08 -0.49 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 2hx9 s PHE 29 CO -0.10 -0.02 -0.15 0.99 -1.46 0.00 0.00 175.22 174.49 2hx9 s THR 30 N -0.68 1.34 -0.21 0.12 2.01 -0.67 -1.26 115.64 116.30 2hx9 s THR 30 Ca -0.01 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 2hx9 s THR 30 Cb -0.06 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2hx9 s THR 30 CO 0.00 0.40 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.63 2hx9 s VAL 31 N 0.58 3.79 -0.49 3.82 1.01 -0.21 -1.11 120.40 127.80 2hx9 s VAL 31 Ca -0.15 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2hx9 s VAL 31 Cb -0.16 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.62 2hx9 s VAL 31 CO 0.05 0.42 0.36 0.20 0.00 0.00 0.00 175.10 176.13 2hx9 s ASN 32 N 1.15 5.71 -0.01 3.32 0.01 -0.14 -1.25 114.94 123.74 2hx9 s ASN 32 Ca 0.03 -1.97 -0.18 0.00 -0.71 0.00 0.00 52.86 50.03 2hx9 s ASN 32 Cb -0.14 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.45 2hx9 s ASN 32 CO 0.01 -0.68 0.50 -0.22 -1.51 0.00 0.00 177.10 175.20 2hx9 s LEU 33 N 1.28 4.43 0.34 0.60 2.96 0.51 -1.07 118.68 127.73 2hx9 s LEU 33 Ca 0.06 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 55.09 2hx9 s LEU 33 Cb -0.26 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2hx9 s LEU 33 CO -0.01 0.20 0.27 -0.94 -1.32 0.00 0.00 176.35 174.54 2hx9 s SER 34 N -0.53 1.80 -0.42 3.68 1.04 -0.33 -1.41 113.70 117.54 2hx9 s SER 34 Ca 0.27 -1.76 0.04 0.00 0.48 0.00 0.00 55.95 54.98 2hx9 s SER 34 Cb -0.17 0.56 0.17 0.00 0.10 0.00 0.00 66.02 66.68 2hx9 s SER 34 CO 0.15 -1.06 0.40 -2.28 0.98 0.00 0.00 173.24 171.43 2hx9 s HIS 35 N -3.42 0.38 0.99 5.02 2.46 -1.20 -1.24 115.29 118.28 2hx9 s HIS 35 Ca 0.39 -1.75 -0.12 0.00 0.47 0.00 0.00 55.06 54.06 2hx9 s HIS 35 Cb 0.02 -0.63 0.13 0.00 -0.13 0.00 0.00 32.58 31.98 2hx9 s HIS 35 CO 0.27 -0.93 0.79 -2.30 -2.47 0.00 0.00 174.74 170.10 2hx9 n PRO 36 N 3.17 -0.82 0.00 2.88 -0.02 -1.24 -1.14 135.00 137.84 2hx9 n PRO 36 Ca 0.23 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2hx9 n PRO 36 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.93 -0.85 0.00 -1.23 0.00 -1.26 -3.78 105.19 99.01 2hx9 n GLY 37 Ca 0.08 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2hx9 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hx9 n ASN 38 N 0.00 0.11 -4.74 1.61 3.02 -1.26 -4.53 115.26 109.47 2hx9 n ASN 38 Ca 0.00 -0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 53.92 2hx9 n ASN 38 Cb 0.00 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 2hx9 n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hx9 s LEU 39 N -0.95 4.52 0.82 3.41 1.43 -1.26 -4.82 118.68 121.83 2hx9 s LEU 39 Ca 0.00 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2hx9 s LEU 39 Cb 0.00 -3.47 0.09 0.00 0.03 0.00 0.00 46.19 42.84 2hx9 s LEU 39 CO 0.00 0.02 1.12 -2.16 0.23 0.00 0.00 176.35 175.55 2hx9 s PRO 40 N -0.30 1.86 0.37 1.29 0.04 -1.26 -1.07 135.00 135.93 2hx9 s PRO 40 Ca 0.43 0.45 0.11 0.00 0.04 0.00 0.00 61.00 62.03 2hx9 s PRO 40 Cb -0.23 -1.91 0.89 0.00 0.04 0.00 0.00 34.50 33.29 2hx9 s PRO 40 CO 0.28 -1.73 1.84 -0.22 0.04 0.00 0.00 177.00 177.21 2hx9 h LYS 41 N -1.16 0.59 -0.01 4.56 3.64 -1.84 0.11 116.57 122.46 2hx9 h LYS 41 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2hx9 h LYS 41 Cb 1.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2hx9 h LYS 41 CO 0.61 0.39 0.00 0.27 -2.27 0.00 0.00 179.45 178.46 2hx9 n ASN 42 N -4.59 0.58 -0.04 4.20 6.94 -1.26 -2.49 115.26 118.59 2hx9 n ASN 42 Ca 0.20 -1.23 -0.09 0.00 -0.02 0.00 0.00 54.58 53.44 2hx9 n ASN 42 Cb 0.58 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 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 -0.53 0.46 -3.18 3.53 0.31 -0.63 -4.93 118.33 113.35 2hx9 n VAL 43 Ca 0.21 -0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2hx9 n VAL 43 Cb 0.20 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.30 1.04 -3.09 5.55 0.00 -0.07 -5.02 117.12 112.23 2hx9 n MET 44 Ca -0.16 -3.43 -0.37 0.00 -0.00 0.00 0.00 57.70 53.75 2hx9 n MET 44 Cb 0.62 -1.71 -0.06 0.00 0.00 0.00 0.00 33.22 32.07 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 -2.42 2.65 0.05 -5.12 0.00 -1.04 -4.71 107.32 96.73 2hx9 s GLY 45 Ca 0.40 0.18 0.07 0.00 0.00 0.00 0.00 44.72 45.37 2hx9 s GLY 45 CO -0.08 0.56 -0.19 0.30 0.00 0.00 0.00 173.10 173.69 2hx9 s HIS 46 N -1.47 1.63 0.27 1.90 3.76 -0.45 -4.88 115.29 116.05 2hx9 s HIS 46 Ca 0.42 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 2hx9 s HIS 46 Cb -0.17 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 2hx9 s HIS 46 CO 0.21 0.08 0.07 0.27 -0.85 0.00 0.00 174.74 174.52 2hx9 n ASN 47 N 1.81 1.57 -3.85 1.40 0.23 -1.26 -0.60 115.26 114.56 2hx9 n ASN 47 Ca -0.18 -2.35 -0.23 0.00 -0.53 0.00 0.00 54.58 51.29 2hx9 n ASN 47 Cb 0.54 0.53 -0.17 0.00 -2.08 0.00 0.00 39.78 38.60 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 -2.40 0.92 -0.00 -2.53 -0.00 -1.26 -3.94 118.94 109.73 2hx9 s TRP 48 Ca 0.10 -0.33 0.03 0.00 -0.00 0.00 0.00 56.10 55.90 2hx9 s TRP 48 Cb 0.00 -0.88 -0.01 0.00 -0.00 0.00 0.00 33.47 32.58 2hx9 s TRP 48 CO 0.07 -0.33 -0.11 0.08 -0.00 0.00 0.00 176.95 176.65 2hx9 s VAL 49 N 1.57 0.85 -0.07 5.86 1.01 0.33 -1.13 120.40 128.83 2hx9 s VAL 49 Ca -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2hx9 s VAL 49 Cb -0.13 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2hx9 s VAL 49 CO -0.04 0.21 -0.23 -0.22 0.00 0.00 0.00 175.10 174.82 2hx9 s LEU 50 N -0.32 2.04 0.24 3.92 2.96 -0.11 -1.38 118.68 126.03 2hx9 s LEU 50 Ca 0.04 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 2hx9 s LEU 50 Cb -0.04 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 2hx9 s LEU 50 CO -0.00 0.19 0.33 -0.94 -1.32 0.00 0.00 176.35 174.61 2hx9 s SER 51 N 0.09 0.18 0.81 3.68 1.04 -0.78 -0.27 113.70 118.46 2hx9 s SER 51 Ca -0.10 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 2hx9 s SER 51 Cb -0.15 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.56 2hx9 s SER 51 CO 0.06 -1.04 1.17 0.35 0.98 0.00 0.00 173.24 174.76 2hx9 n THR 52 N -0.37 1.94 -0.22 2.02 -2.24 -1.26 -1.24 114.28 112.91 2hx9 n THR 52 Ca 0.00 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 2hx9 n THR 52 Cb 0.63 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.79 2hx9 n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hx9 h ALA 53 N -0.94 0.86 -0.22 6.98 0.00 -0.94 -2.09 119.26 122.91 2hx9 h ALA 53 Ca -0.46 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hx9 h ALA 53 Cb 1.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2hx9 h ALA 53 CO 0.45 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.80 2hx9 h ALA 54 N 1.37 1.81 0.00 0.00 0.00 -1.92 -2.65 119.26 117.87 2hx9 h ALA 54 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2hx9 h ALA 54 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2hx9 h ALA 54 CO -0.22 0.17 -0.51 -0.25 0.00 0.00 0.00 179.25 178.44 2hx9 n ASP 55 N -4.49 0.64 -0.10 0.00 8.00 -0.82 -4.34 116.55 115.44 2hx9 n ASP 55 Ca 0.00 0.13 -0.05 0.00 0.71 0.00 0.00 54.79 55.57 2hx9 n ASP 55 Cb 0.09 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.04 -0.59 -1.24 1.85 -1.08 -0.86 114.93 113.04 2hx9 h MET 56 Ca 0.00 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2hx9 h MET 56 Cb 0.69 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.68 2hx9 h MET 56 CO 0.00 0.02 0.38 0.37 -0.40 0.00 0.00 176.91 177.29 2hx9 h GLN 57 N 0.04 0.75 -0.39 0.39 5.75 -1.78 -0.59 115.11 119.27 2hx9 h GLN 57 Ca 0.17 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 2hx9 h GLN 57 Cb 0.25 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2hx9 h GLN 57 CO -0.34 0.50 -0.11 0.78 -2.65 0.00 0.00 178.83 177.01 2hx9 h GLY 58 N 0.77 0.84 0.95 2.39 0.00 -1.72 -0.51 103.07 105.79 2hx9 h GLY 58 Ca 0.22 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2hx9 h GLY 58 CO -0.06 0.64 0.15 -2.08 0.00 0.00 0.00 176.54 175.19 2hx9 h VAL 59 N 0.58 1.03 -0.00 4.60 2.07 -0.92 -0.61 116.25 123.01 2hx9 h VAL 59 Ca 0.10 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2hx9 h VAL 59 Cb 0.64 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2hx9 h VAL 59 CO 0.04 0.06 0.00 0.58 0.02 0.00 0.00 177.57 178.27 2hx9 h VAL 60 N 0.31 1.07 -0.12 2.57 2.07 -1.01 0.22 116.25 121.35 2hx9 h VAL 60 Ca 0.10 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2hx9 h VAL 60 Cb -0.01 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2hx9 h VAL 60 CO -0.04 0.05 -0.01 0.74 0.02 0.00 0.00 177.57 178.33 2hx9 h THR 61 N -0.09 1.27 -0.55 2.57 2.02 -0.95 0.13 112.91 117.31 2hx9 h THR 61 Ca 0.00 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 2hx9 h THR 61 Cb 0.09 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2hx9 h THR 61 CO -0.00 0.25 0.06 0.44 0.37 0.00 0.00 175.52 176.64 2hx9 h ASP 62 N -0.06 0.86 0.42 4.18 3.32 -1.14 -2.25 116.42 121.75 2hx9 h ASP 62 Ca 0.03 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2hx9 h ASP 62 Cb 0.39 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2hx9 h ASP 62 CO 0.01 0.88 -0.20 1.23 -1.72 0.00 0.00 179.24 179.44 2hx9 h GLY 63 N 1.00 -0.59 0.77 2.75 0.00 -0.26 -2.30 103.07 104.44 2hx9 h GLY 63 Ca 0.17 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2hx9 h GLY 63 CO 0.01 -0.21 0.47 -0.33 0.00 0.00 0.00 176.54 176.47 2hx9 h MET 64 N -0.69 0.85 0.00 4.80 2.86 -0.70 -0.58 114.93 121.46 2hx9 h MET 64 Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2hx9 h MET 64 Cb 0.50 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2hx9 h MET 64 CO 0.09 0.56 -0.03 0.00 1.06 0.00 0.00 176.91 178.60 2hx9 h ALA 65 N 1.35 1.20 0.00 6.32 0.00 -1.29 -2.00 119.26 124.84 2hx9 h ALA 65 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2hx9 h ALA 65 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hx9 h ALA 65 CO -0.15 0.03 -0.00 0.77 0.00 0.00 0.00 179.25 179.90 2hx9 h SER 66 N 0.00 0.00 -4.26 0.00 0.02 -0.51 -3.49 113.55 105.31 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2hx9 h SER 66 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2hx9 n GLY 67 N 0.94 -1.05 0.30 -3.77 0.00 -0.75 -4.19 105.19 96.67 2hx9 n GLY 67 Ca 0.03 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 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 0.96 -1.87 0.99 6.46 -1.92 -0.40 115.31 119.53 2hx9 h LEU 68 Ca 0.00 -0.15 0.27 0.00 -0.12 0.00 0.00 57.88 57.88 2hx9 h LEU 68 Cb 0.00 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 39.64 2hx9 h LEU 68 CO 0.00 0.84 0.68 -2.24 -0.62 0.00 0.00 178.44 177.10 2hx9 h ASP 69 N 1.01 0.10 -0.55 1.25 2.03 -2.01 0.61 116.42 118.86 2hx9 h ASP 69 Ca 0.24 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2hx9 h ASP 69 Cb 0.15 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 2hx9 h ASP 69 CO -0.03 0.03 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2hx9 n LYS 70 N -4.32 4.45 -1.52 4.15 4.76 -0.29 -4.90 118.16 120.48 2hx9 n LYS 70 Ca 0.21 -3.07 -0.14 0.00 -2.87 0.00 0.00 58.31 52.44 2hx9 n LYS 70 Cb 0.97 -2.14 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 2hx9 n LYS 70 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hx9 n ASP 71 N 0.57 -4.57 -4.01 4.39 2.03 0.21 -2.22 116.55 112.95 2hx9 n ASP 71 Ca 0.27 0.29 -0.32 0.00 0.52 0.00 0.00 54.79 55.54 2hx9 n ASP 71 Cb 1.10 -3.33 0.01 0.00 -0.72 0.00 0.00 41.12 38.18 2hx9 n ASP 71 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2hx9 n TYR 72 N -2.81 -2.10 -4.20 -0.67 4.01 -0.41 -4.80 117.16 106.17 2hx9 n TYR 72 Ca -0.14 0.87 -0.16 0.00 -0.16 0.00 0.00 57.90 58.30 2hx9 n TYR 72 Cb 0.47 -3.66 -0.14 0.00 -0.31 0.00 0.00 39.34 35.70 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 -7.26 2.01 0.05 7.72 1.43 -0.94 -3.56 118.68 118.14 2hx9 s LEU 73 Ca 0.65 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 2hx9 s LEU 73 Cb -0.34 -0.31 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 2hx9 s LEU 73 CO 0.86 0.07 1.87 -0.75 0.23 0.00 0.00 176.35 178.64 2hx9 s LYS 74 N -0.14 4.15 0.36 1.70 2.20 -1.26 -4.84 119.74 121.91 2hx9 s LYS 74 Ca 0.02 2.54 -0.28 0.00 -0.36 0.00 0.00 55.97 57.89 2hx9 s LYS 74 Cb -0.02 -3.94 -0.11 0.00 -1.51 0.00 0.00 37.83 32.24 2hx9 s LYS 74 CO -0.00 -0.90 1.45 -2.30 -0.36 0.00 0.00 175.35 173.24 2hx9 n PRO 75 N 6.82 2.53 -1.95 4.03 -0.02 -1.26 -1.87 135.00 143.28 2hx9 n PRO 75 Ca 0.19 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.38 2hx9 n PRO 75 Cb 0.40 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 2hx9 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2hx9 n ASP 76 N 0.72 -4.90 -4.62 2.55 8.00 -1.26 -4.90 116.55 112.15 2hx9 n ASP 76 Ca 0.03 0.26 -0.44 0.00 0.71 0.00 0.00 54.79 55.35 2hx9 n ASP 76 Cb 0.38 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.19 2hx9 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2hx9 n ASP 77 N -1.46 3.52 0.22 -2.24 -0.08 -0.78 -4.83 116.55 110.91 2hx9 n ASP 77 Ca -0.19 0.52 0.16 0.00 -1.51 0.00 0.00 54.79 53.76 2hx9 n ASP 77 Cb 0.62 -1.51 0.73 0.00 2.34 0.00 0.00 41.12 43.30 2hx9 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2hx9 h SER 78 N 12.91 0.00 1.34 1.67 4.64 -1.91 -2.37 113.55 129.84 2hx9 h SER 78 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2hx9 h SER 78 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2hx9 h SER 78 CO 0.96 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 177.41 2hx9 n ARG 79 N -2.65 0.21 -3.11 4.77 1.74 -1.26 -4.74 116.66 111.63 2hx9 n ARG 79 Ca -0.00 0.17 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 2hx9 n ARG 79 Cb 0.16 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 2hx9 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hx9 s VAL 80 N -3.09 4.82 0.17 1.55 1.01 -0.89 -4.46 120.40 119.52 2hx9 s VAL 80 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 2hx9 s VAL 80 Cb 0.14 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2hx9 s VAL 80 CO 0.59 -0.62 1.54 0.40 0.00 0.00 0.00 175.10 177.01 2hx9 h ILE 81 N 5.88 1.28 -1.92 2.22 2.04 -0.93 -3.47 117.51 122.61 2hx9 h ILE 81 Ca -0.25 -1.49 0.02 0.00 1.00 0.00 0.00 64.86 64.14 2hx9 h ILE 81 Cb 1.10 1.32 -0.20 0.00 -0.74 0.00 0.00 36.82 38.30 2hx9 h ILE 81 CO 0.90 0.50 0.38 0.00 0.00 0.00 0.00 178.15 179.93 2hx9 s ALA 82 N -4.46 -1.83 0.06 1.87 0.00 -1.24 -4.99 121.76 111.16 2hx9 s ALA 82 Ca -0.10 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 2hx9 s ALA 82 Cb 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.11 2hx9 s ALA 82 CO 0.86 -0.41 0.56 -3.38 0.00 0.00 0.00 175.76 173.39 2hx9 s HIS 83 N -1.58 -0.48 0.72 0.00 -3.43 -1.26 -0.94 115.29 108.31 2hx9 s HIS 83 Ca -0.04 0.54 -0.01 0.00 -0.80 0.00 0.00 55.06 54.75 2hx9 s HIS 83 Cb -0.00 0.40 0.12 0.00 -1.43 0.00 0.00 32.58 31.66 2hx9 s HIS 83 CO 0.02 -0.68 0.99 0.95 -2.00 0.00 0.00 174.74 174.02 2hx9 s THR 84 N -2.53 2.17 0.88 -5.38 -4.23 -0.28 -4.84 115.64 101.42 2hx9 s THR 84 Ca -0.05 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.76 2hx9 s THR 84 Cb -0.01 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.37 2hx9 s THR 84 CO -0.02 0.00 1.19 -1.59 -0.54 0.00 0.00 174.62 173.66 2hx9 s LYS 85 N -5.14 1.35 0.09 3.99 -2.85 -1.26 -4.62 119.74 111.31 2hx9 s LYS 85 Ca 0.66 0.07 -0.27 0.00 -1.00 0.00 0.00 55.97 55.43 2hx9 s LYS 85 Cb -0.06 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.77 2hx9 s LYS 85 CO 0.44 -2.01 0.85 -1.17 0.10 0.00 0.00 175.35 173.56 2hx9 s LEU 86 N -5.83 4.49 0.05 2.77 2.96 -1.26 -4.44 118.68 117.42 2hx9 s LEU 86 Ca 0.65 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 56.25 2hx9 s LEU 86 Cb -0.11 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 2hx9 s LEU 86 CO 0.51 0.01 -0.18 0.27 -1.32 0.00 0.00 176.35 175.64 2hx9 s ILE 87 N -0.21 1.46 0.43 6.68 -4.36 0.23 -4.90 121.20 120.53 2hx9 s ILE 87 Ca 0.41 -1.15 0.07 0.00 -0.26 0.00 0.00 60.65 59.72 2hx9 s ILE 87 Cb -0.22 -1.29 0.07 0.00 1.25 0.00 0.00 42.46 42.27 2hx9 s ILE 87 CO 0.26 0.11 0.60 0.61 0.24 0.00 0.00 174.94 176.76 2hx9 n GLY 88 N 1.81 1.89 3.70 6.27 0.00 -1.26 -1.35 105.19 116.25 2hx9 n GLY 88 Ca -0.18 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 2hx9 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hx9 n SER 89 N -2.53 2.81 0.00 1.61 3.41 -0.23 -1.85 113.62 116.84 2hx9 n SER 89 Ca 0.12 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 2hx9 n SER 89 Cb 0.44 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2hx9 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hx9 n GLY 90 N 0.90 1.84 3.99 5.00 0.00 -0.29 -4.94 105.19 111.69 2hx9 n GLY 90 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 2.91 0.10 1.61 2.02 -0.77 -4.97 118.70 119.58 2hx9 s GLU 91 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.83 2hx9 s GLU 91 Cb 0.00 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.54 2hx9 s GLU 91 CO 0.00 -0.22 0.36 -1.59 0.02 0.00 0.00 175.26 173.83 2hx9 s LYS 92 N -4.37 0.99 -0.03 1.61 -2.85 -1.26 -3.25 119.74 110.58 2hx9 s LYS 92 Ca 0.51 -0.70 -0.25 0.00 -1.00 0.00 0.00 55.97 54.53 2hx9 s LYS 92 Cb -0.10 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2hx9 s LYS 92 CO 0.34 -0.37 0.55 0.34 0.10 0.00 0.00 175.35 176.31 2hx9 s ASP 93 N -2.66 -0.49 0.13 0.03 2.15 -0.50 -5.02 116.67 110.31 2hx9 s ASP 93 Ca 0.02 0.46 0.09 0.00 0.43 0.00 0.00 52.55 53.55 2hx9 s ASP 93 Cb 0.02 0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 2hx9 s ASP 93 CO -0.10 -0.57 -0.20 -0.44 -0.17 0.00 0.00 175.17 173.69 2hx9 s SER 94 N -1.31 2.67 -0.01 -0.34 0.01 -1.26 -0.36 113.70 113.10 2hx9 s SER 94 Ca -0.11 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.40 2hx9 s SER 94 Cb -0.02 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 2hx9 s SER 94 CO 0.07 0.03 -0.05 0.54 0.41 0.00 0.00 173.24 174.24 2hx9 s VAL 95 N -1.52 0.43 -0.00 3.43 0.11 -0.38 -4.90 120.40 117.56 2hx9 s VAL 95 Ca 0.11 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2hx9 s VAL 95 Cb -0.08 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2hx9 s VAL 95 CO 0.05 0.12 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.89 2hx9 s THR 96 N -0.09 2.87 0.04 5.04 2.01 -1.26 -1.04 115.64 123.21 2hx9 s THR 96 Ca 0.02 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 2hx9 s THR 96 Cb -0.03 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2hx9 s THR 96 CO -0.00 0.46 0.00 0.72 -0.69 0.00 0.00 174.62 175.11 2hx9 s PHE 97 N -0.82 0.38 -0.08 4.92 -0.71 -0.39 -4.96 117.98 116.32 2hx9 s PHE 97 Ca 0.13 -0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 54.91 2hx9 s PHE 97 Cb -0.11 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 2hx9 s PHE 97 CO 0.03 -0.34 1.34 0.34 -1.34 0.00 0.00 175.22 175.25 2hx9 s ASP 98 N -2.43 6.90 0.48 1.98 2.15 -1.26 -0.78 116.67 123.71 2hx9 s ASP 98 Ca -0.01 1.91 0.32 0.00 0.43 0.00 0.00 52.55 55.21 2hx9 s ASP 98 Cb 0.02 -2.55 1.45 0.00 -0.30 0.00 0.00 42.92 41.54 2hx9 s ASP 98 CO -0.07 -0.73 1.96 0.58 -0.17 0.00 0.00 175.17 176.73 2hx9 h VAL 99 N 5.23 0.00 0.00 1.11 2.07 -1.60 -1.90 116.25 121.16 2hx9 h VAL 99 Ca -0.33 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2hx9 h VAL 99 Cb 1.15 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2hx9 h VAL 99 CO 0.93 0.00 0.00 0.28 0.02 0.00 0.00 177.57 178.80 2hx9 h SER 100 N 0.00 0.00 0.77 0.57 0.02 -1.88 -0.69 113.55 112.34 2hx9 h SER 100 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hx9 h SER 100 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2hx9 h SER 100 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2hx9 n LYS 101 N -2.94 0.21 -3.64 3.45 5.02 -0.72 -4.71 118.16 114.85 2hx9 n LYS 101 Ca -0.01 0.43 -0.36 0.00 -2.02 0.00 0.00 58.31 56.34 2hx9 n LYS 101 Cb 0.16 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 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 -4.58 4.26 0.00 -0.35 1.43 -0.27 -5.15 118.68 114.03 2hx9 s LEU 102 Ca 0.04 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2hx9 s LEU 102 Cb 0.09 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2hx9 s LEU 102 CO 0.41 0.17 0.00 0.29 0.23 0.00 0.00 176.35 177.45 2hx9 n LYS 103 N 3.28 0.00 0.00 1.70 5.02 -1.26 -5.05 118.16 121.85 2hx9 n LYS 103 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2hx9 n LYS 103 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2hx9 n LYS 103 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2hx9 n GLU 106 N -1.43 0.00 -4.10 1.97 4.07 -1.26 -5.07 120.64 114.82 2hx9 n GLU 106 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 2hx9 n GLU 106 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 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 -3.90 3.84 0.07 5.31 -1.52 -1.26 -4.99 119.66 117.20 2hx9 s GLN 107 Ca 0.00 -0.37 0.10 0.00 -1.95 0.00 0.00 55.36 53.13 2hx9 s GLN 107 Cb 0.00 -3.13 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 2hx9 s GLN 107 CO 0.00 0.31 -0.27 0.71 -0.25 0.00 0.00 175.29 175.80 2hx9 s TYR 108 N 0.23 2.32 0.04 0.91 2.02 -1.25 -0.31 117.35 121.31 2hx9 s TYR 108 Ca 0.03 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 2hx9 s TYR 108 Cb -0.13 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 2hx9 s TYR 108 CO 0.01 0.19 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.34 2hx9 s MET 109 N -1.49 1.32 0.19 -0.62 -1.94 -0.37 -1.92 119.30 114.47 2hx9 s MET 109 Ca 0.12 -0.90 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 2hx9 s MET 109 Cb -0.10 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 2hx9 s MET 109 CO 0.03 0.36 0.05 -0.59 -0.01 0.00 0.00 175.02 174.87 2hx9 s PHE 110 N -0.79 2.93 -0.01 -0.03 -0.12 -0.08 -1.87 117.98 118.01 2hx9 s PHE 110 Ca 0.07 -0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.54 2hx9 s PHE 110 Cb -0.09 -1.39 0.10 0.00 -0.63 0.00 0.00 43.02 41.02 2hx9 s PHE 110 CO 0.02 0.53 0.88 -0.59 -0.05 0.00 0.00 175.22 176.01 2hx9 s PHE 111 N -1.86 -0.36 -0.19 3.49 -0.71 -0.48 -0.98 117.98 116.89 2hx9 s PHE 111 Ca 0.29 0.24 -0.22 0.00 -1.04 0.00 0.00 56.93 56.21 2hx9 s PHE 111 Cb -0.09 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 2hx9 s PHE 111 CO 0.21 -0.55 0.67 0.00 -1.34 0.00 0.00 175.22 174.21 2hx9 h SER 113 N 7.43 0.41 -0.06 0.00 4.64 -1.87 0.15 113.55 124.25 2hx9 h SER 113 Ca -0.31 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2hx9 h SER 113 Cb 1.14 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2hx9 h SER 113 CO 0.79 0.34 -0.04 1.55 -0.87 0.00 0.00 176.83 178.60 2hx9 h PRO 114 N 0.45 0.25 -0.21 4.77 0.13 -1.90 -3.26 132.00 132.24 2hx9 h PRO 114 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2hx9 h PRO 114 Cb 0.01 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2hx9 h PRO 114 CO -0.02 0.31 0.00 0.72 -0.23 0.00 0.00 178.00 178.78 2hx9 n HIS 115 N -4.35 0.39 -0.16 1.56 8.25 -0.95 -4.59 115.22 115.37 2hx9 n HIS 115 Ca -0.00 -0.62 0.04 0.00 -0.26 0.00 0.00 57.72 56.88 2hx9 n HIS 115 Cb 0.20 -0.10 0.33 0.00 1.12 0.00 0.00 29.99 31.54 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 1.28 0.78 0.00 -0.41 -0.00 -0.75 -0.95 115.11 115.06 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 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.14 2hx9 h GLN 116 CO 0.04 0.52 0.00 0.78 0.00 0.00 0.00 178.83 180.17 2hx9 h GLY 117 N 0.81 0.00 -2.79 2.39 0.00 -1.84 -2.34 103.07 99.29 2hx9 h GLY 117 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2hx9 h GLY 117 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.46 2hx9 n ALA 118 N -1.95 2.48 0.00 3.60 0.00 -0.39 -4.96 120.51 119.29 2hx9 n ALA 118 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2hx9 n ALA 118 Cb 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.60 0.92 3.52 0.00 0.00 -0.88 -5.00 105.19 105.35 2hx9 n GLY 119 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2hx9 n GLY 119 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hx9 s MET 120 N -0.31 3.95 -0.02 1.61 -1.94 -1.03 -4.83 119.30 116.73 2hx9 s MET 120 Ca 0.00 -2.13 -0.29 0.00 -1.71 0.00 0.00 55.69 51.55 2hx9 s MET 120 Cb 0.00 -5.26 0.10 0.00 2.01 0.00 0.00 34.83 31.68 2hx9 s MET 120 CO 0.00 -2.00 0.91 -1.59 -0.01 0.00 0.00 175.02 172.33 2hx9 s LYS 121 N 3.04 0.78 0.04 2.03 -2.85 -1.26 -1.33 119.74 120.20 2hx9 s LYS 121 Ca 0.46 -0.29 -0.10 0.00 -1.00 0.00 0.00 55.97 55.05 2hx9 s LYS 121 Cb -0.00 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.16 2hx9 s LYS 121 CO 0.01 -0.34 0.46 0.41 0.10 0.00 0.00 175.35 175.99 2hx9 n GLY 122 N -0.23 0.79 3.91 0.59 0.00 -0.15 -4.73 105.19 105.37 2hx9 n GLY 122 Ca -0.08 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.25 5.16 -0.06 2.61 -4.23 -0.80 -0.91 115.64 115.16 2hx9 s THR 123 Ca 0.11 -0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 2hx9 s THR 123 Cb -0.01 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.14 2hx9 s THR 123 CO 0.01 -0.14 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.61 2hx9 s LEU 124 N -3.19 1.66 -0.04 4.79 0.20 -0.81 -0.76 118.68 120.53 2hx9 s LEU 124 Ca 0.40 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.95 2hx9 s LEU 124 Cb -0.11 -0.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.88 2hx9 s LEU 124 CO 0.28 0.04 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.47 2hx9 s THR 125 N 0.59 0.36 -0.46 3.68 2.01 -0.36 -3.90 115.64 117.56 2hx9 s THR 125 Ca -0.13 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 2hx9 s THR 125 Cb -0.15 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 71.96 2hx9 s THR 125 CO 0.03 0.19 0.90 -0.22 -0.69 0.00 0.00 174.62 174.83 2hx9 s LEU 126 N 1.04 4.06 0.00 4.42 0.20 -1.26 -0.41 118.68 126.73 2hx9 s LEU 126 Ca -0.09 0.05 0.26 0.00 0.69 0.00 0.00 54.13 55.04 2hx9 s LEU 126 Cb -0.14 -3.14 0.70 0.00 -0.43 0.00 0.00 46.19 43.19 2hx9 s LEU 126 CO -0.01 -1.03 1.55 1.17 -0.29 0.00 0.00 176.35 177.73