#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxa s SER 4 N 0.00 -0.34 -0.04 0.00 1.04 -1.26 -1.61 113.70 111.49 2hxa s SER 4 Ca 0.00 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 2hxa s SER 4 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2hxa s SER 4 CO 0.00 -0.88 0.12 0.54 0.98 0.00 0.00 173.24 174.00 2hxa s VAL 5 N -3.74 0.02 -0.25 5.02 0.11 0.05 -4.93 120.40 116.67 2hxa s VAL 5 Ca 0.02 -0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 2hxa s VAL 5 Cb 0.01 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2hxa s VAL 5 CO -0.12 -0.10 0.15 -1.81 -3.33 0.00 0.00 175.10 169.90 2hxa s ASP 6 N -0.27 5.88 -0.02 3.54 1.01 -1.26 0.05 116.67 125.59 2hxa s ASP 6 Ca -0.04 0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.29 2hxa s ASP 6 Cb -0.03 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 2hxa s ASP 6 CO 0.00 0.01 -0.21 -0.63 0.21 0.00 0.00 175.17 174.54 2hxa s ILE 7 N 1.41 1.70 -0.09 0.77 1.01 -0.08 -4.96 121.20 120.96 2hxa s ILE 7 Ca 0.07 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2hxa s ILE 7 Cb -0.15 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 2hxa s ILE 7 CO 0.07 0.48 -0.10 -1.10 0.00 0.00 0.00 174.94 174.29 2hxa s GLN 8 N -0.46 2.99 -0.15 2.79 -0.21 -1.26 -1.23 119.66 122.12 2hxa s GLN 8 Ca 0.07 -0.62 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 2hxa s GLN 8 Cb -0.09 -2.59 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 2hxa s GLN 8 CO -0.00 0.47 -0.07 0.20 -2.12 0.00 0.00 175.29 173.77 2hxa s GLY 9 N -0.31 1.65 0.56 3.09 0.00 -0.01 -1.38 107.32 110.92 2hxa s GLY 9 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.94 2hxa s GLY 9 CO 0.03 -0.05 0.52 0.54 0.00 0.00 0.00 173.10 174.14 2hxa s ASN 10 N 0.49 4.74 0.00 1.64 2.20 -0.77 -3.08 114.94 120.16 2hxa s ASN 10 Ca -0.05 -1.17 0.13 0.00 -0.94 0.00 0.00 52.86 50.83 2hxa s ASN 10 Cb -0.15 0.46 0.70 0.00 -2.00 0.00 0.00 41.25 40.26 2hxa s ASN 10 CO 0.03 -1.21 1.26 0.47 -2.94 0.00 0.00 177.10 174.72 2hxa n ASP 11 N -1.92 0.00 -1.16 3.54 8.00 -1.25 -2.33 116.55 121.42 2hxa n ASP 11 Ca 0.03 -0.13 0.06 0.00 0.71 0.00 0.00 54.79 55.46 2hxa n ASP 11 Cb 0.64 -0.15 0.28 0.00 -0.02 0.00 0.00 41.12 41.86 2hxa n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hxa n GLN 12 N -1.15 3.15 -3.84 -1.24 6.02 -1.26 -4.98 117.38 114.08 2hxa n GLN 12 Ca 0.08 -2.95 -0.29 0.00 -0.01 0.00 0.00 57.00 53.83 2hxa n GLN 12 Cb 0.07 -1.94 0.04 0.00 1.02 0.00 0.00 30.24 29.43 2hxa n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2hxa n MET 13 N -0.39 -6.12 -4.99 -1.09 2.81 -0.99 -5.00 117.12 101.35 2hxa n MET 13 Ca 0.25 0.65 -0.31 0.00 -1.81 0.00 0.00 57.70 56.49 2hxa n MET 13 Cb 1.00 -5.58 -0.14 0.00 -0.71 0.00 0.00 33.22 27.78 2hxa n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2hxa s GLN 14 N -6.54 2.16 0.36 0.03 -0.21 -1.26 -4.26 119.66 109.93 2hxa s GLN 14 Ca 0.64 -0.90 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2hxa s GLN 14 Cb -0.31 -2.16 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 2hxa s GLN 14 CO 0.81 0.57 0.73 -0.06 -2.12 0.00 0.00 175.29 175.22 2hxa s PHE 15 N -0.74 3.43 -1.19 0.91 0.08 -1.26 -1.84 117.98 117.37 2hxa s PHE 15 Ca 0.12 1.09 0.05 0.00 0.12 0.00 0.00 56.93 58.31 2hxa s PHE 15 Cb -0.10 -2.46 0.23 0.00 -0.57 0.00 0.00 43.02 40.12 2hxa s PHE 15 CO 0.01 0.01 0.98 0.27 -0.10 0.00 0.00 175.22 176.39 2hxa n ASN 16 N -0.83 2.03 -3.53 1.36 6.94 -0.48 -4.82 115.26 115.92 2hxa n ASN 16 Ca 0.03 -2.19 -0.12 0.00 -0.02 0.00 0.00 54.58 52.28 2hxa n ASN 16 Cb 0.54 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 2hxa n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2hxa s THR 17 N -1.59 0.03 -0.00 5.53 -1.32 -1.26 -4.94 115.64 112.08 2hxa s THR 17 Ca 0.16 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2hxa s THR 17 Cb 0.11 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 2hxa s THR 17 CO 0.07 -0.15 0.61 -0.46 -2.21 0.00 0.00 174.62 172.48 2hxa n ASN 18 N -0.15 0.07 -3.49 8.08 0.23 -1.26 -4.80 115.26 113.94 2hxa n ASN 18 Ca -0.17 -1.23 -0.09 0.00 -0.53 0.00 0.00 54.58 52.56 2hxa n ASN 18 Cb 0.64 -0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 38.20 2hxa n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2hxa s ALA 19 N -0.05 -1.06 -0.16 -2.53 0.00 -1.26 -0.76 121.76 115.95 2hxa s ALA 19 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 2hxa s ALA 19 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2hxa s ALA 19 CO 0.00 -1.03 0.01 0.42 0.00 0.00 0.00 175.76 175.16 2hxa s ILE 20 N 2.56 4.31 -0.18 0.00 1.01 0.11 -4.95 121.20 124.06 2hxa s ILE 20 Ca 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2hxa s ILE 20 Cb -0.14 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2hxa s ILE 20 CO -0.14 0.49 -0.01 -0.89 0.00 0.00 0.00 174.94 174.39 2hxa s THR 21 N 0.25 4.05 -0.30 2.92 2.01 -1.26 -0.80 115.64 122.52 2hxa s THR 21 Ca 0.00 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2hxa s THR 21 Cb -0.13 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.58 2hxa s THR 21 CO 0.02 0.46 0.09 -0.69 -0.69 0.00 0.00 174.62 173.81 2hxa s VAL 22 N 0.60 4.10 0.28 3.82 1.01 0.47 -4.96 120.40 125.72 2hxa s VAL 22 Ca -0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2hxa s VAL 22 Cb -0.14 -3.11 -0.11 0.00 0.00 0.00 0.00 36.38 33.03 2hxa s VAL 22 CO 0.02 0.08 1.53 -0.62 0.00 0.00 0.00 175.10 176.11 2hxa s ASP 23 N 1.52 6.49 0.37 3.32 -1.08 -1.26 -0.43 116.67 125.60 2hxa s ASP 23 Ca 0.03 2.84 0.27 0.00 -0.52 0.00 0.00 52.55 55.17 2hxa s ASP 23 Cb -0.17 -2.63 1.22 0.00 -1.46 0.00 0.00 42.92 39.88 2hxa s ASP 23 CO 0.03 -0.82 1.82 0.07 0.52 0.00 0.00 175.17 176.79 2hxa h LYS 24 N 4.85 0.00 0.00 4.34 -0.00 -1.90 -2.09 116.57 121.77 2hxa h LYS 24 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2hxa h LYS 24 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 2hxa h LYS 24 CO 0.78 0.00 0.00 -1.13 -0.00 0.00 0.00 179.45 179.10 2hxa n SER 25 N -2.52 0.72 -4.69 7.07 3.41 -1.26 -4.83 113.62 111.52 2hxa n SER 25 Ca 0.01 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.83 2hxa n SER 25 Cb 0.20 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 2hxa n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hxa h LYS 27 N 7.28 0.38 -5.83 0.00 3.64 -1.90 -3.43 116.57 116.73 2hxa h LYS 27 Ca -0.36 -0.55 -0.52 0.00 -1.27 0.00 0.00 60.65 57.95 2hxa h LYS 27 Cb 1.18 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 2hxa h LYS 27 CO 0.86 1.23 -0.74 -0.65 -2.27 0.00 0.00 179.45 177.88 2hxa s GLN 28 N -2.72 1.47 -0.02 1.90 -0.21 -1.26 -1.26 119.66 117.56 2hxa s GLN 28 Ca -0.13 -1.67 0.03 0.00 0.02 0.00 0.00 55.36 53.61 2hxa s GLN 28 Cb 0.02 -1.39 0.00 0.00 1.00 0.00 0.00 33.01 32.65 2hxa s GLN 28 CO 0.85 0.24 -0.10 0.12 -2.12 0.00 0.00 175.29 174.28 2hxa s PHE 29 N -2.78 0.99 -0.08 0.91 5.36 -0.65 -4.85 117.98 116.89 2hxa s PHE 29 Ca 0.26 -0.24 0.05 0.00 -0.96 0.00 0.00 56.93 56.03 2hxa s PHE 29 Cb -0.02 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.95 2hxa s PHE 29 CO 0.10 -0.09 -0.23 0.99 -1.46 0.00 0.00 175.22 174.53 2hxa s THR 30 N 0.12 2.18 -0.20 0.12 2.01 -0.63 -1.47 115.64 117.77 2hxa s THR 30 Ca -0.02 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 2hxa s THR 30 Cb -0.08 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 2hxa s THR 30 CO 0.00 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 2hxa s VAL 31 N 0.01 3.27 -0.49 3.82 1.01 0.40 -0.77 120.40 127.64 2hxa s VAL 31 Ca -0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2hxa s VAL 31 Cb -0.15 -2.46 0.11 0.00 0.00 0.00 0.00 36.38 33.88 2hxa s VAL 31 CO 0.05 0.45 0.41 0.20 0.00 0.00 0.00 175.10 176.22 2hxa s ASN 32 N 1.19 6.00 -0.13 3.32 0.01 0.11 -1.75 114.94 123.69 2hxa s ASN 32 Ca 0.02 -1.67 -0.16 0.00 -0.71 0.00 0.00 52.86 50.34 2hxa s ASN 32 Cb -0.14 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 2hxa s ASN 32 CO -0.02 -0.73 0.41 -0.22 -1.51 0.00 0.00 177.10 175.03 2hxa s LEU 33 N 1.53 4.27 0.30 0.60 2.96 -0.22 -0.90 118.68 127.23 2hxa s LEU 33 Ca 0.04 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2hxa s LEU 33 Cb -0.27 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 2hxa s LEU 33 CO 0.03 0.05 0.09 -0.94 -1.32 0.00 0.00 176.35 174.26 2hxa s SER 34 N 0.47 1.73 -0.41 3.68 1.04 -0.37 -2.08 113.70 117.76 2hxa s SER 34 Ca 0.22 -1.42 0.02 0.00 0.48 0.00 0.00 55.95 55.26 2hxa s SER 34 Cb -0.14 0.12 0.15 0.00 0.10 0.00 0.00 66.02 66.25 2hxa s SER 34 CO 0.08 -0.72 0.26 -2.28 0.98 0.00 0.00 173.24 171.57 2hxa s HIS 35 N -3.55 1.37 0.77 5.02 2.46 -1.22 -0.83 115.29 119.31 2hxa s HIS 35 Ca 0.36 -2.13 -0.13 0.00 0.47 0.00 0.00 55.06 53.63 2hxa s HIS 35 Cb 0.08 -1.33 0.06 0.00 -0.13 0.00 0.00 32.58 31.26 2hxa s HIS 35 CO 0.15 -0.80 1.16 -2.14 -2.47 0.00 0.00 174.74 170.64 2hxa s PRO 36 N 0.48 1.99 0.00 2.88 0.02 -1.18 -1.29 135.00 137.90 2hxa s PRO 36 Ca 0.21 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2hxa s PRO 36 Cb -0.17 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2hxa s PRO 36 CO -0.05 -1.91 0.00 0.41 -0.33 0.00 0.00 177.00 175.12 2hxa n GLY 37 N -0.00 0.46 2.77 0.52 0.00 -1.26 -3.74 105.19 103.94 2hxa n GLY 37 Ca 0.12 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 2hxa n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hxa n ASN 38 N 0.00 0.30 -4.08 1.61 5.15 -1.26 -4.64 115.26 112.34 2hxa n ASN 38 Ca 0.00 -2.12 -0.22 0.00 -0.60 0.00 0.00 54.58 51.63 2hxa n ASN 38 Cb 0.00 0.01 -0.15 0.00 -0.53 0.00 0.00 39.78 39.11 2hxa n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hxa s LEU 39 N -3.91 1.93 1.08 1.20 1.43 -1.26 -5.04 118.68 114.11 2hxa s LEU 39 Ca 0.20 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 2hxa s LEU 39 Cb 0.38 -0.72 0.23 0.00 0.03 0.00 0.00 46.19 46.10 2hxa s LEU 39 CO -0.07 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.61 2hxa s PRO 40 N -0.10 -0.26 0.28 1.29 0.04 -1.26 -1.89 135.00 133.11 2hxa s PRO 40 Ca 0.01 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.24 2hxa s PRO 40 Cb -0.08 -1.69 0.42 0.00 0.04 0.00 0.00 34.50 33.19 2hxa s PRO 40 CO 0.00 -3.11 1.67 -0.22 0.04 0.00 0.00 177.00 175.38 2hxa h LYS 41 N -2.15 0.20 0.00 4.56 3.64 -1.84 -0.52 116.57 120.46 2hxa h LYS 41 Ca -0.49 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2hxa h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2hxa h LYS 41 CO 0.46 0.64 0.00 0.27 -2.27 0.00 0.00 179.45 178.55 2hxa n ASN 42 N -3.98 0.00 -0.03 4.20 6.94 -1.26 -2.38 115.26 118.76 2hxa n ASN 42 Ca -0.02 -1.24 -0.07 0.00 -0.02 0.00 0.00 54.58 53.24 2hxa n ASN 42 Cb 0.52 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 2hxa n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2hxa n VAL 43 N -0.87 0.59 -3.19 3.53 0.31 -0.93 -4.92 118.33 112.85 2hxa n VAL 43 Ca 0.18 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.28 2hxa n VAL 43 Cb 0.08 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.32 2hxa n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2hxa n MET 44 N -3.41 0.99 -3.20 5.55 0.00 -0.25 -5.03 117.12 111.78 2hxa n MET 44 Ca -0.12 -3.42 -0.36 0.00 -0.00 0.00 0.00 57.70 53.81 2hxa n MET 44 Cb 0.50 -1.49 -0.06 0.00 0.00 0.00 0.00 33.22 32.18 2hxa n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2hxa s GLY 45 N -1.79 2.54 0.04 -5.12 0.00 -1.00 -4.66 107.32 97.34 2hxa s GLY 45 Ca 0.38 0.04 0.06 0.00 0.00 0.00 0.00 44.72 45.20 2hxa s GLY 45 CO -0.09 0.36 -0.18 0.30 0.00 0.00 0.00 173.10 173.49 2hxa s HIS 46 N -1.53 1.55 0.39 1.90 3.76 -0.61 -4.84 115.29 115.90 2hxa s HIS 46 Ca 0.42 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 2hxa s HIS 46 Cb -0.16 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.59 2hxa s HIS 46 CO 0.20 0.07 0.16 0.54 -0.85 0.00 0.00 174.74 174.87 2hxa s ASN 47 N -1.20 2.52 -0.10 1.40 2.20 -1.26 -0.47 114.94 118.03 2hxa s ASN 47 Ca 0.05 -1.70 -0.00 0.00 -0.94 0.00 0.00 52.86 50.27 2hxa s ASN 47 Cb -0.08 0.53 0.02 0.00 -2.00 0.00 0.00 41.25 39.72 2hxa s ASN 47 CO 0.02 -0.97 -0.06 0.86 -2.94 0.00 0.00 177.10 174.01 2hxa s TRP 48 N -3.27 1.30 -0.05 1.54 -0.00 -1.26 -3.99 118.94 113.20 2hxa s TRP 48 Ca 0.27 -0.59 0.02 0.00 -0.00 0.00 0.00 56.10 55.80 2hxa s TRP 48 Cb 0.02 -1.11 0.01 0.00 -0.00 0.00 0.00 33.47 32.39 2hxa s TRP 48 CO 0.17 -0.45 -0.10 0.08 -0.00 0.00 0.00 176.95 176.66 2hxa s VAL 49 N 1.64 0.92 -0.15 5.86 1.01 -0.10 -0.76 120.40 128.82 2hxa s VAL 49 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2hxa s VAL 49 Cb -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2hxa s VAL 49 CO -0.06 0.30 -0.08 -0.22 0.00 0.00 0.00 175.10 175.04 2hxa s LEU 50 N 0.59 3.00 0.28 3.92 2.96 0.47 -1.72 118.68 128.18 2hxa s LEU 50 Ca -0.11 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2hxa s LEU 50 Cb -0.14 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2hxa s LEU 50 CO 0.02 0.16 0.35 -0.94 -1.32 0.00 0.00 176.35 174.62 2hxa s SER 51 N 0.39 0.65 0.72 3.68 1.04 -0.76 -0.72 113.70 118.71 2hxa s SER 51 Ca -0.07 -1.40 -0.14 0.00 0.48 0.00 0.00 55.95 54.82 2hxa s SER 51 Cb -0.15 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2hxa s SER 51 CO 0.04 -1.10 1.14 0.42 0.98 0.00 0.00 173.24 174.72 2hxa s THR 52 N -3.62 2.83 0.25 2.02 -4.23 -1.26 -0.65 115.64 110.98 2hxa s THR 52 Ca 0.33 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2hxa s THR 52 Cb 0.02 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 71.26 2hxa s THR 52 CO 0.17 -0.26 1.85 0.00 -0.54 0.00 0.00 174.62 175.84 2hxa h ALA 53 N -0.43 1.29 -0.67 3.99 0.00 -1.69 -2.20 119.26 119.55 2hxa h ALA 53 Ca -0.46 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2hxa h ALA 53 Cb 1.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2hxa h ALA 53 CO 0.51 0.28 0.44 0.00 0.00 0.00 0.00 179.25 180.48 2hxa h ALA 54 N 1.45 1.56 0.00 0.00 0.00 -1.93 -3.11 119.26 117.23 2hxa h ALA 54 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2hxa h ALA 54 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hxa h ALA 54 CO -0.20 0.39 -0.48 -0.44 0.00 0.00 0.00 179.25 178.52 2hxa h ASP 55 N 0.87 0.00 -0.08 0.00 3.32 -1.78 -3.40 116.42 115.34 2hxa h ASP 55 Ca 0.25 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2hxa h ASP 55 Cb -0.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2hxa h ASP 55 CO -0.06 0.07 -0.11 -0.03 -1.72 0.00 0.00 179.24 177.39 2hxa h MET 56 N 0.00 -0.14 -0.36 3.56 1.85 -1.39 -1.35 114.93 117.10 2hxa h MET 56 Ca 0.00 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.14 2hxa h MET 56 Cb 0.79 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.81 2hxa h MET 56 CO 0.00 -0.09 0.12 0.37 -0.40 0.00 0.00 176.91 176.91 2hxa h GLN 57 N -0.14 0.26 -0.41 0.39 5.75 -1.79 -0.43 115.11 118.75 2hxa h GLN 57 Ca 0.07 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 2hxa h GLN 57 Cb 0.24 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2hxa h GLN 57 CO -0.17 0.17 -0.17 0.78 -2.65 0.00 0.00 178.83 176.80 2hxa h GLY 58 N 0.27 0.84 0.98 2.39 0.00 -1.79 -0.55 103.07 105.20 2hxa h GLY 58 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2hxa h GLY 58 CO -0.17 0.62 0.00 -2.08 0.00 0.00 0.00 176.54 174.91 2hxa h VAL 59 N 0.69 0.99 -0.08 4.60 2.07 -0.85 -1.85 116.25 121.82 2hxa h VAL 59 Ca 0.11 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2hxa h VAL 59 Cb 0.67 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2hxa h VAL 59 CO 0.05 0.00 0.05 0.58 0.02 0.00 0.00 177.57 178.27 2hxa h VAL 60 N 0.01 1.04 -0.14 2.57 2.07 -0.96 -0.23 116.25 120.61 2hxa h VAL 60 Ca 0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2hxa h VAL 60 Cb 0.01 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2hxa h VAL 60 CO -0.01 0.04 0.07 0.74 0.02 0.00 0.00 177.57 178.43 2hxa h THR 61 N 0.09 1.00 -0.20 2.57 2.02 -1.09 0.79 112.91 118.09 2hxa h THR 61 Ca 0.03 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 67.00 2hxa h THR 61 Cb 0.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2hxa h THR 61 CO -0.01 0.03 -0.52 0.44 0.37 0.00 0.00 175.52 175.84 2hxa h ASP 62 N 0.16 0.63 0.05 4.18 3.32 -1.34 -2.51 116.42 120.91 2hxa h ASP 62 Ca 0.06 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2hxa h ASP 62 Cb 0.01 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2hxa h ASP 62 CO -0.04 1.03 -0.03 1.23 -1.72 0.00 0.00 179.24 179.72 2hxa h GLY 63 N 1.05 -0.07 -0.20 2.75 0.00 -0.93 -2.06 103.07 103.60 2hxa h GLY 63 Ca 0.02 0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.55 2hxa h GLY 63 CO 0.10 -0.03 0.16 -0.33 0.00 0.00 0.00 176.54 176.44 2hxa h MET 64 N -0.37 0.22 0.00 4.80 2.86 -0.84 -1.54 114.93 120.07 2hxa h MET 64 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2hxa h MET 64 Cb 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2hxa h MET 64 CO 0.01 0.15 -0.20 0.00 1.06 0.00 0.00 176.91 177.93 2hxa h ALA 65 N 1.66 1.01 0.00 6.32 0.00 -1.37 -2.72 119.26 124.16 2hxa h ALA 65 Ca 0.44 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2hxa h ALA 65 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2hxa h ALA 65 CO -0.57 0.24 -0.26 0.77 0.00 0.00 0.00 179.25 179.44 2hxa h SER 66 N 0.00 0.00 -4.05 0.00 0.02 -0.54 -3.50 113.55 105.48 2hxa h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hxa h SER 66 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2hxa h SER 66 CO 0.03 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2hxa n GLY 67 N 0.49 -1.44 0.12 -3.77 0.00 -1.03 -4.22 105.19 95.34 2hxa n GLY 67 Ca 0.01 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 2hxa n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hxa h LEU 68 N 0.00 0.22 -2.00 0.99 5.85 -1.90 -0.08 115.31 118.38 2hxa h LEU 68 Ca 0.00 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.02 2hxa h LEU 68 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2hxa h LEU 68 CO 0.00 0.16 0.74 -2.24 -0.34 0.00 0.00 178.44 176.76 2hxa h ASP 69 N 0.28 0.00 -0.58 1.25 -0.00 -2.01 0.31 116.42 115.66 2hxa h ASP 69 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 2hxa h ASP 69 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2hxa h ASP 69 CO -0.04 0.00 0.00 0.29 -0.00 0.00 0.00 179.24 179.49 2hxa n LYS 70 N -4.22 3.70 -3.59 4.15 5.02 -0.85 -4.93 118.16 117.44 2hxa n LYS 70 Ca 0.22 -2.85 -0.27 0.00 -2.02 0.00 0.00 58.31 53.39 2hxa n LYS 70 Cb 1.09 -1.87 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 2hxa n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hxa n ASP 71 N 0.88 -4.70 -3.98 4.39 9.92 0.11 -2.58 116.55 120.59 2hxa n ASP 71 Ca 0.25 -0.57 -0.30 0.00 -0.53 0.00 0.00 54.79 53.63 2hxa n ASP 71 Cb 0.88 -3.80 0.01 0.00 -0.64 0.00 0.00 41.12 37.57 2hxa n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2hxa n TYR 72 N -4.42 -2.02 -3.89 1.24 4.01 -0.10 -4.80 117.16 107.18 2hxa n TYR 72 Ca 0.00 0.85 -0.15 0.00 -0.16 0.00 0.00 57.90 58.44 2hxa n TYR 72 Cb 0.54 -3.71 -0.15 0.00 -0.31 0.00 0.00 39.34 35.71 2hxa n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2hxa s LEU 73 N -7.17 1.49 0.11 7.72 1.43 -1.06 -3.99 118.68 117.21 2hxa s LEU 73 Ca 0.52 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 2hxa s LEU 73 Cb -0.27 -0.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.73 2hxa s LEU 73 CO 0.86 -0.06 1.82 -0.75 0.23 0.00 0.00 176.35 178.46 2hxa s LYS 74 N 0.59 4.14 0.06 1.70 2.20 -1.26 -4.86 119.74 122.32 2hxa s LYS 74 Ca -0.05 2.57 -0.37 0.00 -0.36 0.00 0.00 55.97 57.76 2hxa s LYS 74 Cb -0.08 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.44 2hxa s LYS 74 CO -0.01 -0.84 1.40 -2.30 -0.36 0.00 0.00 175.35 173.23 2hxa n PRO 75 N 5.82 1.24 -2.41 4.03 -0.02 -1.26 -2.00 135.00 140.41 2hxa n PRO 75 Ca 0.18 0.45 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 2hxa n PRO 75 Cb 0.39 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 2hxa n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hxa n ASP 76 N 2.89 -5.80 -4.65 2.55 2.03 -1.26 -4.89 116.55 107.42 2hxa n ASP 76 Ca 0.19 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 2hxa n ASP 76 Cb 0.19 -4.83 -0.03 0.00 -0.72 0.00 0.00 41.12 35.73 2hxa n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2hxa n ASP 77 N -2.01 3.98 0.03 1.67 -0.08 -0.85 -4.87 116.55 114.42 2hxa n ASP 77 Ca -0.24 0.76 0.11 0.00 -1.51 0.00 0.00 54.79 53.91 2hxa n ASP 77 Cb 0.68 -1.53 0.48 0.00 2.34 0.00 0.00 41.12 43.09 2hxa n ASP 77 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2hxa n SER 78 N 8.37 0.17 0.12 1.67 3.41 -1.26 -2.80 113.62 123.30 2hxa n SER 78 Ca 0.22 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2hxa n SER 78 Cb 0.41 -0.57 0.21 0.00 -0.26 0.00 0.00 64.21 64.00 2hxa n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hxa h ARG 79 N 0.00 0.00 -6.26 4.33 3.08 -1.97 -3.43 114.38 110.13 2hxa h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2hxa h ARG 79 Cb 0.43 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 2hxa h ARG 79 CO 0.00 0.00 0.71 0.08 -1.07 0.00 0.00 179.97 179.69 2hxa s VAL 80 N -3.20 4.32 0.13 2.04 1.01 -1.12 -4.54 120.40 119.04 2hxa s VAL 80 Ca 0.06 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 2hxa s VAL 80 Cb 0.10 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2hxa s VAL 80 CO 0.68 -1.03 1.51 0.40 0.00 0.00 0.00 175.10 176.66 2hxa h ILE 81 N 6.11 1.28 -1.95 2.22 2.04 -1.21 -3.47 117.51 122.53 2hxa h ILE 81 Ca -0.25 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 2hxa h ILE 81 Cb 1.07 1.29 -0.19 0.00 -0.74 0.00 0.00 36.82 38.25 2hxa h ILE 81 CO 1.09 0.43 0.23 0.00 0.00 0.00 0.00 178.15 179.90 2hxa s ALA 82 N -4.66 -1.79 0.06 1.87 0.00 -1.23 -5.01 121.76 111.00 2hxa s ALA 82 Ca -0.12 1.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 2hxa s ALA 82 Cb 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.19 2hxa s ALA 82 CO 0.83 -0.36 0.49 -3.38 0.00 0.00 0.00 175.76 173.34 2hxa s HIS 83 N -1.19 -0.37 0.63 0.00 -3.43 -1.26 -0.40 115.29 109.28 2hxa s HIS 83 Ca -0.10 0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 2hxa s HIS 83 Cb -0.00 0.32 0.08 0.00 -1.43 0.00 0.00 32.58 31.55 2hxa s HIS 83 CO 0.09 -0.65 0.88 0.95 -2.00 0.00 0.00 174.74 174.01 2hxa s THR 84 N -2.70 2.40 0.99 -5.38 -4.23 0.06 -4.80 115.64 101.98 2hxa s THR 84 Ca -0.04 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 59.71 2hxa s THR 84 Cb -0.00 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.23 2hxa s THR 84 CO -0.04 0.00 1.15 -1.59 -0.54 0.00 0.00 174.62 173.60 2hxa s LYS 85 N -4.95 0.51 0.07 3.99 -2.85 -1.26 -4.55 119.74 110.69 2hxa s LYS 85 Ca 0.61 0.17 -0.27 0.00 -1.00 0.00 0.00 55.97 55.49 2hxa s LYS 85 Cb -0.08 -1.78 -0.06 0.00 -2.06 0.00 0.00 37.83 33.86 2hxa s LYS 85 CO 0.41 -2.60 0.83 -1.17 0.10 0.00 0.00 175.35 172.93 2hxa s LEU 86 N -6.26 4.47 0.05 2.77 2.96 -1.26 -4.47 118.68 116.93 2hxa s LEU 86 Ca 0.67 1.56 0.06 0.00 -0.22 0.00 0.00 54.13 56.20 2hxa s LEU 86 Cb -0.13 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 2hxa s LEU 86 CO 0.54 -0.01 -0.18 0.27 -1.32 0.00 0.00 176.35 175.65 2hxa s ILE 87 N -0.04 1.43 0.56 6.68 -4.36 0.38 -4.93 121.20 120.92 2hxa s ILE 87 Ca 0.41 -1.14 0.09 0.00 -0.26 0.00 0.00 60.65 59.76 2hxa s ILE 87 Cb -0.21 -1.26 0.08 0.00 1.25 0.00 0.00 42.46 42.31 2hxa s ILE 87 CO 0.25 0.10 0.76 -0.83 0.24 0.00 0.00 174.94 175.46 2hxa s GLY 88 N -1.22 1.77 0.33 6.27 0.00 -1.26 -1.58 107.32 111.63 2hxa s GLY 88 Ca 0.05 -2.07 -0.29 0.00 0.00 0.00 0.00 44.72 42.41 2hxa s GLY 88 CO 0.02 -1.68 1.40 1.44 0.00 0.00 0.00 173.10 174.27 2hxa n SER 89 N -2.19 3.16 0.00 1.64 7.64 -0.79 -1.60 113.62 121.47 2hxa n SER 89 Ca 0.14 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2hxa n SER 89 Cb 0.61 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2hxa n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hxa n GLY 90 N 1.08 1.61 3.97 0.23 0.00 -0.41 -4.92 105.19 106.75 2hxa n GLY 90 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2hxa n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hxa s GLU 91 N -0.07 3.06 0.07 1.61 2.02 -0.63 -4.98 118.70 119.78 2hxa s GLU 91 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 2hxa s GLU 91 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.59 2hxa s GLU 91 CO 0.00 -0.18 0.24 -1.59 0.02 0.00 0.00 175.26 173.75 2hxa s LYS 92 N -4.43 0.84 -0.07 1.61 -2.85 -1.26 -3.38 119.74 110.19 2hxa s LYS 92 Ca 0.48 -0.77 -0.24 0.00 -1.00 0.00 0.00 55.97 54.43 2hxa s LYS 92 Cb -0.10 0.35 0.05 0.00 -2.06 0.00 0.00 37.83 36.07 2hxa s LYS 92 CO 0.36 -0.27 0.55 0.34 0.10 0.00 0.00 175.35 176.42 2hxa s ASP 93 N -2.54 -0.51 0.09 0.03 2.15 -0.88 -5.03 116.67 109.97 2hxa s ASP 93 Ca 0.01 0.62 0.09 0.00 0.43 0.00 0.00 52.55 53.69 2hxa s ASP 93 Cb 0.02 0.60 -0.03 0.00 -0.30 0.00 0.00 42.92 43.20 2hxa s ASP 93 CO -0.08 -0.48 -0.23 -0.44 -0.17 0.00 0.00 175.17 173.77 2hxa s SER 94 N -0.94 2.73 -0.00 -0.34 0.01 -1.26 -1.05 113.70 112.83 2hxa s SER 94 Ca -0.10 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.55 2hxa s SER 94 Cb -0.02 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2hxa s SER 94 CO 0.07 0.13 -0.11 0.54 0.41 0.00 0.00 173.24 174.27 2hxa s VAL 95 N -1.01 0.88 -0.03 3.43 0.11 -0.72 -4.92 120.40 118.15 2hxa s VAL 95 Ca 0.09 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2hxa s VAL 95 Cb -0.10 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2hxa s VAL 95 CO 0.04 0.22 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.89 2hxa s THR 96 N -0.32 1.97 0.12 5.04 2.01 -1.26 -0.46 115.64 122.74 2hxa s THR 96 Ca 0.04 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.00 2hxa s THR 96 Cb -0.05 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 2hxa s THR 96 CO -0.00 0.55 -0.04 0.72 -0.69 0.00 0.00 174.62 175.17 2hxa s PHE 97 N -0.45 0.98 -0.17 4.92 -0.71 -0.54 -4.97 117.98 117.04 2hxa s PHE 97 Ca 0.06 -0.97 -0.29 0.00 -1.04 0.00 0.00 56.93 54.69 2hxa s PHE 97 Cb -0.11 -0.57 -0.00 0.00 -1.21 0.00 0.00 43.02 41.13 2hxa s PHE 97 CO 0.00 -0.20 0.99 -0.51 -1.34 0.00 0.00 175.22 174.17 2hxa s ASP 98 N -3.08 7.13 0.62 1.98 1.01 -1.26 -1.63 116.67 121.43 2hxa s ASP 98 Ca 0.16 1.40 0.33 0.00 0.71 0.00 0.00 52.55 55.15 2hxa s ASP 98 Cb 0.06 -2.53 1.90 0.00 1.01 0.00 0.00 42.92 43.36 2hxa s ASP 98 CO -0.02 -0.54 2.20 0.58 0.21 0.00 0.00 175.17 177.61 2hxa h VAL 99 N 5.27 0.33 -0.24 -1.27 2.07 -1.44 -0.91 116.25 120.07 2hxa h VAL 99 Ca -0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2hxa h VAL 99 Cb 1.11 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2hxa h VAL 99 CO 0.91 0.00 0.32 0.77 0.02 0.00 0.00 177.57 179.59 2hxa h SER 100 N 0.00 0.00 0.64 0.57 4.64 -1.88 0.01 113.55 117.52 2hxa h SER 100 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2hxa h SER 100 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2hxa h SER 100 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2hxa n LYS 101 N -3.56 0.27 -4.19 4.77 5.02 -0.34 -4.78 118.16 115.35 2hxa n LYS 101 Ca 0.03 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 2hxa n LYS 101 Cb 0.45 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2hxa n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hxa s LEU 102 N -2.70 3.81 -0.24 -0.35 1.43 -0.01 -5.10 118.68 115.51 2hxa s LEU 102 Ca 0.22 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 2hxa s LEU 102 Cb 0.18 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2hxa s LEU 102 CO 0.44 0.33 0.22 -0.75 0.23 0.00 0.00 176.35 176.82 2hxa s LYS 103 N -1.29 4.06 0.31 1.70 2.36 -1.26 -5.04 119.74 120.59 2hxa s LYS 103 Ca 0.18 -0.18 -0.29 0.00 -2.55 0.00 0.00 55.97 53.13 2hxa s LYS 103 Cb -0.12 -3.57 -0.12 0.00 -1.05 0.00 0.00 37.83 32.97 2hxa s LYS 103 CO 0.08 -0.03 1.49 -0.85 1.55 0.00 0.00 175.35 177.59 2hxa n GLU 104 N 4.55 2.50 -0.87 4.03 -0.00 -1.26 -2.21 120.64 127.38 2hxa n GLU 104 Ca -0.13 0.88 0.00 0.00 -0.00 0.00 0.00 57.16 57.91 2hxa n GLU 104 Cb 0.52 -2.60 0.00 0.00 -0.00 0.00 0.00 31.44 29.35 2hxa n GLU 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hxa n GLY 105 N 1.52 0.47 3.93 -1.84 0.00 -0.91 -5.00 105.19 103.36 2hxa n GLY 105 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2hxa n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hxa s GLU 106 N -0.57 2.17 -0.65 1.61 2.12 -0.94 -4.99 118.70 117.45 2hxa s GLU 106 Ca 0.00 -0.23 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 2hxa s GLU 106 Cb 0.00 -2.15 0.10 0.00 0.26 0.00 0.00 34.13 32.34 2hxa s GLU 106 CO 0.00 -1.27 0.80 -0.65 -0.54 0.00 0.00 175.26 173.60 2hxa s GLN 107 N -5.27 3.13 0.01 4.30 -0.21 -1.26 -4.72 119.66 115.63 2hxa s GLN 107 Ca 0.60 -1.29 0.05 0.00 0.02 0.00 0.00 55.36 54.74 2hxa s GLN 107 Cb -0.11 -4.32 -0.03 0.00 1.00 0.00 0.00 33.01 29.55 2hxa s GLN 107 CO 0.45 -1.62 -0.12 0.71 -2.12 0.00 0.00 175.29 172.60 2hxa s TYR 108 N 2.91 2.75 -0.03 0.91 2.02 -1.21 -1.91 117.35 122.79 2hxa s TYR 108 Ca 0.16 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 2hxa s TYR 108 Cb -0.20 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2hxa s TYR 108 CO 0.05 0.31 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.55 2hxa s MET 109 N -1.34 2.40 0.18 -0.62 -1.94 0.17 -0.93 119.30 117.23 2hxa s MET 109 Ca 0.15 -0.76 0.08 0.00 -1.71 0.00 0.00 55.69 53.45 2hxa s MET 109 Cb -0.11 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2hxa s MET 109 CO 0.06 0.60 -0.02 -0.59 -0.01 0.00 0.00 175.02 175.06 2hxa s PHE 110 N -0.79 2.80 -0.04 -0.03 -0.12 -0.11 -1.83 117.98 117.86 2hxa s PHE 110 Ca 0.12 -0.16 -0.30 0.00 -0.05 0.00 0.00 56.93 56.54 2hxa s PHE 110 Cb -0.11 -1.35 0.11 0.00 -0.63 0.00 0.00 43.02 41.04 2hxa s PHE 110 CO 0.02 0.52 1.05 -0.59 -0.05 0.00 0.00 175.22 176.17 2hxa s PHE 111 N -1.74 -0.20 -0.22 3.49 -0.71 -0.70 -0.88 117.98 117.01 2hxa s PHE 111 Ca 0.27 0.08 -0.14 0.00 -1.04 0.00 0.00 56.93 56.10 2hxa s PHE 111 Cb -0.09 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 2hxa s PHE 111 CO 0.18 -0.44 0.32 0.00 -1.34 0.00 0.00 175.22 173.94 2hxa h SER 113 N 7.45 0.02 0.65 0.00 4.64 -1.87 0.29 113.55 124.72 2hxa h SER 113 Ca -0.36 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2hxa h SER 113 Cb 1.16 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2hxa h SER 113 CO 0.69 0.09 -0.15 1.55 -0.87 0.00 0.00 176.83 178.14 2hxa h PRO 114 N -0.06 0.00 -0.24 4.77 0.13 -1.90 -3.28 132.00 131.42 2hxa h PRO 114 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hxa h PRO 114 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2hxa h PRO 114 CO -0.00 0.15 0.00 0.72 -0.23 0.00 0.00 178.00 178.64 2hxa n HIS 115 N -3.46 0.39 -0.31 1.56 8.25 -1.12 -4.67 115.22 115.86 2hxa n HIS 115 Ca -0.01 -0.56 -0.01 0.00 -0.26 0.00 0.00 57.72 56.88 2hxa n HIS 115 Cb 0.32 -0.07 0.11 0.00 1.12 0.00 0.00 29.99 31.48 2hxa n HIS 115 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2hxa h GLN 116 N 1.45 1.02 0.00 -0.41 -0.00 -0.49 -2.04 115.11 114.64 2hxa h GLN 116 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 2hxa h GLN 116 Cb 0.77 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 2hxa h GLN 116 CO 0.03 0.67 -0.08 0.78 0.00 0.00 0.00 178.83 180.23 2hxa h GLY 117 N 1.05 0.00 -0.38 2.39 0.00 -1.84 0.16 103.07 104.45 2hxa h GLY 117 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2hxa h GLY 117 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.42 2hxa n ALA 118 N -2.22 2.57 0.00 3.60 0.00 -0.93 -4.93 120.51 118.60 2hxa n ALA 118 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2hxa n ALA 118 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2hxa n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hxa n GLY 119 N 1.12 1.03 3.57 0.00 0.00 0.55 -5.03 105.19 106.43 2hxa n GLY 119 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2hxa n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hxa s MET 120 N -0.88 3.95 0.25 1.61 -2.45 -0.81 -4.87 119.30 116.09 2hxa s MET 120 Ca 0.00 -1.93 -0.20 0.00 -1.25 0.00 0.00 55.69 52.31 2hxa s MET 120 Cb 0.00 -5.50 0.02 0.00 1.25 0.00 0.00 34.83 30.61 2hxa s MET 120 CO 0.00 -2.23 0.65 -1.59 1.05 0.00 0.00 175.02 172.90 2hxa s LYS 121 N 4.18 1.64 0.04 4.11 -2.85 -1.26 -1.80 119.74 123.81 2hxa s LYS 121 Ca 0.52 -0.94 -0.05 0.00 -1.00 0.00 0.00 55.97 54.51 2hxa s LYS 121 Cb 0.03 0.58 0.02 0.00 -2.06 0.00 0.00 37.83 36.40 2hxa s LYS 121 CO 0.06 -0.74 0.24 0.41 0.10 0.00 0.00 175.35 175.42 2hxa n GLY 122 N -0.43 1.17 3.78 0.59 0.00 -0.06 -4.76 105.19 105.49 2hxa n GLY 122 Ca -0.06 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2hxa n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hxa s THR 123 N -2.47 4.30 -0.02 2.61 -4.23 0.06 -0.93 115.64 114.94 2hxa s THR 123 Ca 0.05 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2hxa s THR 123 Cb -0.01 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.59 2hxa s THR 123 CO 0.01 -0.23 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.59 2hxa s LEU 124 N -3.43 1.63 -0.03 4.79 0.20 -0.11 0.06 118.68 121.79 2hxa s LEU 124 Ca 0.31 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 55.03 2hxa s LEU 124 Cb -0.09 -0.38 0.02 0.00 -0.43 0.00 0.00 46.19 45.32 2hxa s LEU 124 CO 0.23 0.00 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.39 2hxa s THR 125 N 0.42 0.28 -0.65 3.68 2.01 0.02 -3.30 115.64 118.10 2hxa s THR 125 Ca -0.05 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.70 2hxa s THR 125 Cb -0.09 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2hxa s THR 125 CO -0.00 0.16 1.19 -0.22 -0.69 0.00 0.00 174.62 175.06 2hxa s LEU 126 N 0.94 3.45 0.00 4.42 0.20 -1.26 -0.40 118.68 126.03 2hxa s LEU 126 Ca -0.10 -0.27 0.20 0.00 0.69 0.00 0.00 54.13 54.65 2hxa s LEU 126 Cb -0.13 -2.81 0.16 0.00 -0.43 0.00 0.00 46.19 42.97 2hxa s LEU 126 CO -0.01 -1.62 1.12 2.29 -0.29 0.00 0.00 176.35 177.85