#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxa s GLU 2 N 0.00 0.08 -0.21 0.00 2.02 -1.26 -5.07 118.70 114.26 2hxa s GLU 2 Ca 0.00 -0.16 0.17 0.00 0.02 0.00 0.00 54.97 55.00 2hxa s GLU 2 Cb 0.00 0.02 0.47 0.00 0.10 0.00 0.00 34.13 34.72 2hxa s GLU 2 CO 0.00 -0.01 1.16 0.00 0.02 0.00 0.00 175.26 176.43 2hxa s SER 4 N -3.31 -0.29 0.01 0.00 1.04 -1.26 -1.70 113.70 108.19 2hxa s SER 4 Ca 0.37 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2hxa s SER 4 Cb 0.37 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 2hxa s SER 4 CO -0.05 -0.62 -0.02 0.54 0.98 0.00 0.00 173.24 174.08 2hxa s VAL 5 N -2.14 0.08 -0.16 5.02 0.11 0.34 -4.95 120.40 118.70 2hxa s VAL 5 Ca -0.07 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.45 2hxa s VAL 5 Cb -0.02 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 2hxa s VAL 5 CO -0.00 -0.23 0.09 -1.81 -3.33 0.00 0.00 175.10 169.81 2hxa s ASP 6 N -0.71 5.87 0.01 3.54 1.01 -1.26 -0.00 116.67 125.12 2hxa s ASP 6 Ca -0.07 0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.40 2hxa s ASP 6 Cb -0.05 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 2hxa s ASP 6 CO -0.00 0.25 -0.07 -0.51 0.21 0.00 0.00 175.17 175.04 2hxa s ILE 7 N -0.05 0.51 0.05 0.77 2.07 -0.54 -4.94 121.20 119.08 2hxa s ILE 7 Ca 0.08 -0.48 0.08 0.00 -1.41 0.00 0.00 60.65 58.92 2hxa s ILE 7 Cb -0.12 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 2hxa s ILE 7 CO 0.01 0.00 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.75 2hxa s GLN 8 N -0.52 1.98 -0.11 3.50 -0.21 -1.26 -1.32 119.66 121.71 2hxa s GLN 8 Ca -0.01 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.35 2hxa s GLN 8 Cb -0.04 -2.14 0.02 0.00 1.00 0.00 0.00 33.01 31.84 2hxa s GLN 8 CO -0.00 0.53 -0.14 0.20 -2.12 0.00 0.00 175.29 173.75 2hxa s GLY 9 N -1.52 1.01 0.59 3.09 0.00 -0.34 -1.67 107.32 108.48 2hxa s GLY 9 Ca 0.15 -0.70 0.09 0.00 0.00 0.00 0.00 44.72 44.25 2hxa s GLY 9 CO 0.05 0.31 0.71 0.54 0.00 0.00 0.00 173.10 174.71 2hxa s ASN 10 N 1.08 4.89 0.50 1.64 2.20 -0.76 -3.78 114.94 120.71 2hxa s ASN 10 Ca -0.05 -1.03 0.33 0.00 -0.94 0.00 0.00 52.86 51.17 2hxa s ASN 10 Cb -0.15 0.49 1.56 0.00 -2.00 0.00 0.00 41.25 41.16 2hxa s ASN 10 CO -0.03 -1.37 2.00 0.44 -2.94 0.00 0.00 177.10 175.20 2hxa h ASP 11 N 0.26 0.00 -0.35 3.54 3.32 -1.92 -2.79 116.42 118.49 2hxa h ASP 11 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2hxa h ASP 11 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2hxa h ASP 11 CO 0.45 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 2hxa n GLN 12 N -2.82 2.77 -3.53 3.56 3.00 -1.26 -4.93 117.38 114.17 2hxa n GLN 12 Ca -0.00 -1.65 -0.20 0.00 -0.01 0.00 0.00 57.00 55.14 2hxa n GLN 12 Cb 0.19 -1.73 0.08 0.00 0.00 0.00 0.00 30.24 28.78 2hxa n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 2hxa n MET 13 N 0.46 -6.70 -4.73 -1.09 1.56 -1.05 -5.02 117.12 100.55 2hxa n MET 13 Ca 0.15 0.81 -0.24 0.00 -0.27 0.00 0.00 57.70 58.14 2hxa n MET 13 Cb 0.64 -5.77 -0.16 0.00 2.15 0.00 0.00 33.22 30.08 2hxa n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2hxa s GLN 14 N -5.72 1.49 0.31 2.12 -0.21 -1.26 -4.59 119.66 111.80 2hxa s GLN 14 Ca 0.17 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 54.85 2hxa s GLN 14 Cb -0.08 -1.35 -0.09 0.00 1.00 0.00 0.00 33.01 32.49 2hxa s GLN 14 CO 0.74 0.25 0.74 -0.06 -2.12 0.00 0.00 175.29 174.85 2hxa s PHE 15 N -0.05 3.41 -1.95 0.91 0.08 -1.26 -1.83 117.98 117.28 2hxa s PHE 15 Ca -0.01 1.25 0.07 0.00 0.12 0.00 0.00 56.93 58.36 2hxa s PHE 15 Cb -0.09 -2.56 0.21 0.00 -0.57 0.00 0.00 43.02 40.00 2hxa s PHE 15 CO 0.01 0.12 1.16 0.27 -0.10 0.00 0.00 175.22 176.68 2hxa n ASN 16 N -0.24 1.28 -3.73 1.36 6.94 -0.67 -4.83 115.26 115.37 2hxa n ASN 16 Ca 0.03 -2.01 -0.10 0.00 -0.02 0.00 0.00 54.58 52.48 2hxa n ASN 16 Cb 0.53 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.69 0.10 0.00 5.53 -1.32 -1.26 -4.98 115.64 112.02 2hxa s THR 17 Ca 0.15 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2hxa s THR 17 Cb 0.08 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2hxa s THR 17 CO 0.10 -0.43 0.67 -0.46 -2.21 0.00 0.00 174.62 172.29 2hxa n ASN 18 N 0.03 1.25 -3.56 8.08 0.23 -1.26 -4.85 115.26 115.19 2hxa n ASN 18 Ca -0.16 -1.43 -0.09 0.00 -0.53 0.00 0.00 54.58 52.37 2hxa n ASN 18 Cb 0.62 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.23 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 -0.43 -1.14 -0.08 -2.53 0.00 -1.26 -1.39 121.76 114.93 2hxa s ALA 19 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2hxa s ALA 19 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2hxa s ALA 19 CO 0.00 -0.92 -0.09 0.42 0.00 0.00 0.00 175.76 175.18 2hxa s ILE 20 N 2.59 3.53 -0.10 0.00 1.01 -0.21 -4.98 121.20 123.05 2hxa s ILE 20 Ca 0.03 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2hxa s ILE 20 Cb -0.13 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2hxa s ILE 20 CO -0.14 0.58 -0.19 -0.89 0.00 0.00 0.00 174.94 174.31 2hxa s THR 21 N -0.60 2.58 -0.28 2.92 2.01 -1.26 -1.74 115.64 119.27 2hxa s THR 21 Ca 0.09 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 2hxa s THR 21 Cb -0.12 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2hxa s THR 21 CO 0.02 0.55 0.14 -0.69 -0.69 0.00 0.00 174.62 173.94 2hxa s VAL 22 N 0.08 4.68 0.54 3.82 1.01 0.05 -4.96 120.40 125.63 2hxa s VAL 22 Ca -0.08 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 2hxa s VAL 22 Cb -0.15 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2hxa s VAL 22 CO 0.05 0.20 1.34 0.47 0.00 0.00 0.00 175.10 177.16 2hxa n ASP 23 N 4.98 2.60 -0.24 3.32 8.00 -1.26 -0.35 116.55 133.61 2hxa n ASP 23 Ca -0.15 0.98 -0.01 0.00 0.71 0.00 0.00 54.79 56.32 2hxa n ASP 23 Cb 0.51 -1.57 0.20 0.00 -0.02 0.00 0.00 41.12 40.24 2hxa n ASP 23 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 2hxa h LYS 24 N 1.42 1.04 -0.21 -1.24 -0.00 -1.95 -2.79 116.57 112.83 2hxa h LYS 24 Ca -0.51 -0.10 0.00 0.00 -0.00 0.00 0.00 60.65 60.05 2hxa h LYS 24 Cb 1.31 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 2hxa h LYS 24 CO 0.57 0.73 0.00 0.43 -0.00 0.00 0.00 179.45 181.18 2hxa n SER 25 N -4.38 3.00 -4.68 7.07 7.64 -1.26 -4.94 113.62 116.07 2hxa n SER 25 Ca 0.08 -1.94 -0.46 0.00 1.01 0.00 0.00 58.87 57.56 2hxa n SER 25 Cb 0.07 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 2hxa n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hxa h LYS 27 N 7.21 0.38 -4.53 0.00 3.64 -1.92 -3.43 116.57 117.92 2hxa h LYS 27 Ca -0.46 -0.65 -0.22 0.00 -1.27 0.00 0.00 60.65 58.05 2hxa h LYS 27 Cb 1.25 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 33.16 2hxa h LYS 27 CO 0.92 1.31 -0.64 1.14 -2.27 0.00 0.00 179.45 179.91 2hxa s GLN 28 N -2.63 1.07 -0.03 1.90 0.00 -1.26 -2.15 119.66 116.56 2hxa s GLN 28 Ca -0.06 -1.54 -0.01 0.00 -0.00 0.00 0.00 55.36 53.74 2hxa s GLN 28 Cb 0.06 0.21 0.01 0.00 0.00 0.00 0.00 33.01 33.29 2hxa s GLN 28 CO 0.91 -0.31 0.06 0.12 0.00 0.00 0.00 175.29 176.07 2hxa s PHE 29 N -4.06 -0.05 -0.11 9.60 5.36 -0.31 -4.82 117.98 123.59 2hxa s PHE 29 Ca 0.31 0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.49 2hxa s PHE 29 Cb 0.07 -0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.70 2hxa s PHE 29 CO 0.07 -0.06 -0.22 0.99 -1.46 0.00 0.00 175.22 174.54 2hxa s THR 30 N 0.41 2.27 -0.22 0.12 2.01 -0.69 -1.01 115.64 118.54 2hxa s THR 30 Ca -0.03 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2hxa s THR 30 Cb -0.05 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2hxa s THR 30 CO -0.01 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.81 2hxa s VAL 31 N 0.34 4.19 -0.52 3.82 1.01 -0.15 -0.50 120.40 128.59 2hxa s VAL 31 Ca -0.17 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2hxa s VAL 31 Cb -0.18 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.41 2hxa s VAL 31 CO 0.08 0.39 0.41 0.20 0.00 0.00 0.00 175.10 176.19 2hxa s ASN 32 N 1.20 5.83 -0.02 3.32 0.01 1.00 -1.61 114.94 124.67 2hxa s ASN 32 Ca 0.04 -2.02 -0.19 0.00 -0.71 0.00 0.00 52.86 49.98 2hxa s ASN 32 Cb -0.14 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 2hxa s ASN 32 CO 0.02 -0.69 0.54 -0.22 -1.51 0.00 0.00 177.10 175.24 2hxa s LEU 33 N 1.22 4.41 0.18 0.60 2.96 0.37 -1.46 118.68 126.95 2hxa s LEU 33 Ca 0.07 1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 2hxa s LEU 33 Cb -0.25 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2hxa s LEU 33 CO -0.01 0.14 0.13 -0.94 -1.32 0.00 0.00 176.35 174.35 2hxa s SER 34 N -0.27 0.18 -0.44 3.68 1.04 -0.44 -1.40 113.70 116.04 2hxa s SER 34 Ca 0.29 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.45 2hxa s SER 34 Cb -0.17 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.48 2hxa s SER 34 CO 0.15 -0.83 0.35 -2.28 0.98 0.00 0.00 173.24 171.61 2hxa s HIS 35 N -4.12 1.41 0.83 5.02 2.46 -1.21 -1.20 115.29 118.48 2hxa s HIS 35 Ca 0.33 -2.40 -0.13 0.00 0.47 0.00 0.00 55.06 53.34 2hxa s HIS 35 Cb 0.07 -1.18 0.10 0.00 -0.13 0.00 0.00 32.58 31.43 2hxa s HIS 35 CO 0.09 -0.79 1.19 -2.14 -2.47 0.00 0.00 174.74 170.62 2hxa s PRO 36 N -0.04 1.49 0.00 2.88 0.02 -1.25 -1.55 135.00 136.55 2hxa s PRO 36 Ca 0.30 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2hxa s PRO 36 Cb -0.01 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2hxa s PRO 36 CO -0.17 -2.32 0.00 0.41 -0.33 0.00 0.00 177.00 174.59 2hxa n GLY 37 N 0.43 -0.80 0.00 0.52 0.00 -1.26 -3.79 105.19 100.29 2hxa n GLY 37 Ca 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2hxa n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hxa n ASN 38 N 0.00 1.25 -4.74 1.61 3.02 -1.26 -4.56 115.26 110.59 2hxa n ASN 38 Ca 0.00 -0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 2hxa n ASN 38 Cb 0.00 0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 2hxa n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hxa s LEU 39 N -1.41 4.50 0.93 3.41 1.43 -1.26 -4.84 118.68 121.45 2hxa s LEU 39 Ca 0.00 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 2hxa s LEU 39 Cb 0.00 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.78 2hxa s LEU 39 CO 0.00 -0.16 1.22 -2.16 0.23 0.00 0.00 176.35 175.48 2hxa s PRO 40 N -0.33 0.92 0.36 1.29 0.04 -1.26 -1.31 135.00 134.72 2hxa s PRO 40 Ca 0.48 -0.08 0.06 0.00 0.04 0.00 0.00 61.00 61.49 2hxa s PRO 40 Cb -0.28 -1.85 0.73 0.00 0.04 0.00 0.00 34.50 33.15 2hxa s PRO 40 CO 0.33 -2.27 1.95 -0.22 0.04 0.00 0.00 177.00 176.84 2hxa h LYS 41 N -1.54 0.75 0.00 4.56 3.64 -1.85 0.13 116.57 122.25 2hxa h LYS 41 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2hxa h LYS 41 Cb 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2hxa h LYS 41 CO 0.50 0.49 -0.07 0.27 -2.27 0.00 0.00 179.45 178.38 2hxa n ASN 42 N -4.48 0.40 -0.11 4.20 6.94 -1.26 -1.96 115.26 118.98 2hxa n ASN 42 Ca 0.11 0.46 -0.20 0.00 -0.02 0.00 0.00 54.58 54.94 2hxa n ASN 42 Cb 0.23 -0.53 -0.09 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.84 1.26 -2.79 3.53 0.31 -1.00 -4.88 118.33 112.91 2hxa n VAL 43 Ca 0.06 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 2hxa n VAL 43 Cb 0.38 -1.52 0.05 0.00 -0.91 0.00 0.00 33.84 31.84 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 -3.55 1.10 -2.60 5.55 0.00 0.00 -5.03 117.12 112.60 2hxa n MET 44 Ca -0.42 -2.72 -0.39 0.00 -0.00 0.00 0.00 57.70 54.17 2hxa n MET 44 Cb 0.87 -1.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.04 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 -2.22 2.98 0.07 -5.12 0.00 -0.83 -4.72 107.32 97.48 2hxa s GLY 45 Ca 0.28 0.74 0.09 0.00 0.00 0.00 0.00 44.72 45.83 2hxa s GLY 45 CO -0.03 1.28 -0.24 0.30 0.00 0.00 0.00 173.10 174.40 2hxa s HIS 46 N -1.33 2.12 0.44 1.90 3.76 -0.42 -4.86 115.29 116.90 2hxa s HIS 46 Ca 0.47 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.01 2hxa s HIS 46 Cb -0.27 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 2hxa s HIS 46 CO 0.34 0.17 0.06 0.54 -0.85 0.00 0.00 174.74 175.00 2hxa s ASN 47 N -1.48 3.39 -0.07 1.40 2.20 -1.26 -0.52 114.94 118.59 2hxa s ASN 47 Ca 0.11 -1.60 0.03 0.00 -0.94 0.00 0.00 52.86 50.45 2hxa s ASN 47 Cb -0.10 0.36 0.01 0.00 -2.00 0.00 0.00 41.25 39.52 2hxa s ASN 47 CO 0.03 -0.82 -0.15 0.86 -2.94 0.00 0.00 177.10 174.08 2hxa s TRP 48 N -3.04 1.72 -0.01 1.54 -0.00 -1.26 -3.90 118.94 114.00 2hxa s TRP 48 Ca 0.19 -0.65 0.01 0.00 -0.00 0.00 0.00 56.10 55.65 2hxa s TRP 48 Cb 0.04 -1.22 0.00 0.00 -0.00 0.00 0.00 33.47 32.29 2hxa s TRP 48 CO 0.10 -0.30 -0.01 0.08 -0.00 0.00 0.00 176.95 176.82 2hxa s VAL 49 N 0.55 0.15 -0.08 5.86 1.01 0.47 -0.92 120.40 127.43 2hxa s VAL 49 Ca -0.15 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2hxa s VAL 49 Cb -0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 2hxa s VAL 49 CO 0.05 0.06 -0.24 -0.22 0.00 0.00 0.00 175.10 174.76 2hxa s LEU 50 N 0.18 2.06 0.34 3.92 2.96 0.38 -1.27 118.68 127.25 2hxa s LEU 50 Ca -0.01 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2hxa s LEU 50 Cb -0.03 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.31 2hxa s LEU 50 CO -0.00 0.18 0.54 -0.94 -1.32 0.00 0.00 176.35 174.81 2hxa s SER 51 N 0.19 0.63 0.67 3.68 1.04 -0.81 -0.37 113.70 118.73 2hxa s SER 51 Ca -0.14 -1.36 -0.16 0.00 0.48 0.00 0.00 55.95 54.77 2hxa s SER 51 Cb -0.16 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2hxa s SER 51 CO 0.07 -1.36 1.17 0.42 0.98 0.00 0.00 173.24 174.51 2hxa s THR 52 N -3.00 2.74 0.21 2.02 -4.23 -1.26 -1.52 115.64 110.61 2hxa s THR 52 Ca 0.27 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 2hxa s THR 52 Cb -0.01 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 71.03 2hxa s THR 52 CO 0.17 -0.18 1.70 0.00 -0.54 0.00 0.00 174.62 175.78 2hxa h ALA 53 N 0.12 0.71 -0.10 3.99 0.00 -1.86 -1.96 119.26 120.17 2hxa h ALA 53 Ca -0.48 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2hxa h ALA 53 Cb 1.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2hxa h ALA 53 CO 0.53 -0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.49 2hxa h ALA 54 N 1.49 1.87 0.00 0.00 0.00 -1.94 -2.90 119.26 117.78 2hxa h ALA 54 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hxa h ALA 54 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hxa h ALA 54 CO -0.41 0.11 -0.51 -0.25 0.00 0.00 0.00 179.25 178.19 2hxa n ASP 55 N -4.48 0.71 -0.16 0.00 8.00 -0.78 -4.37 116.55 115.46 2hxa n ASP 55 Ca -0.02 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 2hxa n ASP 55 Cb 0.11 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.26 2hxa n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2hxa h MET 56 N 0.00 0.14 -0.17 -1.24 4.05 -1.23 -1.05 114.93 115.44 2hxa h MET 56 Ca 0.00 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2hxa h MET 56 Cb 0.73 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2hxa h MET 56 CO 0.00 0.09 0.09 0.37 0.23 0.00 0.00 176.91 177.69 2hxa h GLN 57 N 0.15 0.23 -0.64 0.39 5.75 -1.79 -1.43 115.11 117.78 2hxa h GLN 57 Ca 0.25 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2hxa h GLN 57 Cb 0.37 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2hxa h GLN 57 CO -0.39 0.25 0.13 0.78 -2.65 0.00 0.00 178.83 176.95 2hxa h GLY 58 N 0.16 1.12 1.02 2.39 0.00 -1.79 -1.12 103.07 104.85 2hxa h GLY 58 Ca 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 2hxa h GLY 58 CO -0.01 0.67 0.26 -2.08 0.00 0.00 0.00 176.54 175.38 2hxa h VAL 59 N 0.95 1.24 -0.21 4.60 2.07 -1.06 -1.46 116.25 122.38 2hxa h VAL 59 Ca 0.20 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2hxa h VAL 59 Cb 0.40 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2hxa h VAL 59 CO 0.01 0.31 0.04 0.58 0.02 0.00 0.00 177.57 178.52 2hxa h VAL 60 N 0.97 1.22 -0.07 2.57 2.07 -1.19 -0.54 116.25 121.28 2hxa h VAL 60 Ca 0.22 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2hxa h VAL 60 Cb 0.23 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2hxa h VAL 60 CO -0.02 0.23 -0.00 0.74 0.02 0.00 0.00 177.57 178.54 2hxa h THR 61 N 0.14 1.26 -0.43 2.57 2.02 -1.13 -0.89 112.91 116.46 2hxa h THR 61 Ca 0.06 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 2hxa h THR 61 Cb 0.31 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2hxa h THR 61 CO 0.00 0.22 -0.04 0.44 0.37 0.00 0.00 175.52 176.52 2hxa h ASP 62 N -0.18 0.69 -0.06 4.18 3.32 -1.35 -2.78 116.42 120.24 2hxa h ASP 62 Ca 0.02 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2hxa h ASP 62 Cb 0.35 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2hxa h ASP 62 CO 0.00 0.78 -0.08 1.23 -1.72 0.00 0.00 179.24 179.45 2hxa h GLY 63 N 0.95 0.18 0.73 2.75 0.00 -0.98 -1.98 103.07 104.73 2hxa h GLY 63 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.32 2hxa h GLY 63 CO 0.02 0.18 0.50 -0.33 0.00 0.00 0.00 176.54 176.91 2hxa h MET 64 N -0.29 0.90 0.00 4.80 2.86 -1.18 -1.04 114.93 120.98 2hxa h MET 64 Ca 0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2hxa h MET 64 Cb 0.61 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2hxa h MET 64 CO 0.02 0.60 -0.11 0.00 1.06 0.00 0.00 176.91 178.47 2hxa h ALA 65 N 1.39 1.20 0.00 6.32 0.00 -1.39 -2.62 119.26 124.16 2hxa h ALA 65 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2hxa h ALA 65 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2hxa h ALA 65 CO -0.17 0.14 0.00 0.77 0.00 0.00 0.00 179.25 179.99 2hxa h SER 66 N 0.00 0.00 -4.62 0.00 0.02 -0.40 -3.49 113.55 105.06 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 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2hxa h SER 66 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2hxa n GLY 67 N 0.65 0.32 0.18 -3.77 0.00 -0.99 -4.34 105.19 97.23 2hxa n GLY 67 Ca 0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 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 0.07 -0.05 0.99 6.46 -1.91 -0.89 115.31 119.98 2hxa h LEU 68 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2hxa h LEU 68 Cb 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2hxa h LEU 68 CO 0.00 0.07 0.00 0.47 -0.62 0.00 0.00 178.44 178.36 2hxa n ASP 69 N -5.07 0.03 -1.11 1.25 8.00 -1.26 -0.31 116.55 118.07 2hxa n ASP 69 Ca 0.04 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.13 2hxa n ASP 69 Cb 0.19 -0.51 0.27 0.00 -0.02 0.00 0.00 41.12 41.05 2hxa n ASP 69 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hxa n LYS 70 N -1.53 3.11 -1.24 -1.24 4.76 -0.46 -4.95 118.16 116.61 2hxa n LYS 70 Ca 0.01 -2.54 -0.08 0.00 -2.87 0.00 0.00 58.31 52.83 2hxa n LYS 70 Cb 0.07 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 2hxa n LYS 70 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hxa n ASP 71 N 0.82 -4.08 -4.02 4.39 2.03 0.57 -2.60 116.55 113.66 2hxa n ASP 71 Ca 0.20 0.21 -0.32 0.00 0.52 0.00 0.00 54.79 55.40 2hxa n ASP 71 Cb 0.67 -2.32 0.01 0.00 -0.72 0.00 0.00 41.12 38.76 2hxa n ASP 71 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2hxa n TYR 72 N -2.73 -2.06 -4.09 -0.67 4.01 -0.51 -4.78 117.16 106.33 2hxa n TYR 72 Ca -0.08 0.86 -0.15 0.00 -0.16 0.00 0.00 57.90 58.37 2hxa n TYR 72 Cb 0.29 -3.63 -0.14 0.00 -0.31 0.00 0.00 39.34 35.54 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 -7.24 2.00 0.04 7.72 1.43 -1.07 -3.44 118.68 118.13 2hxa s LEU 73 Ca 0.63 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 2hxa s LEU 73 Cb -0.33 -0.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 2hxa s LEU 73 CO 0.87 0.05 1.83 -0.75 0.23 0.00 0.00 176.35 178.57 2hxa s LYS 74 N -0.09 4.16 0.26 1.70 2.20 -1.26 -4.82 119.74 121.89 2hxa s LYS 74 Ca 0.01 2.49 -0.31 0.00 -0.36 0.00 0.00 55.97 57.80 2hxa s LYS 74 Cb -0.02 -3.92 -0.12 0.00 -1.51 0.00 0.00 37.83 32.26 2hxa s LYS 74 CO -0.00 -0.88 1.57 -2.30 -0.36 0.00 0.00 175.35 173.38 2hxa n PRO 75 N 6.76 2.52 -2.12 4.03 -0.02 -1.26 -2.04 135.00 142.86 2hxa n PRO 75 Ca 0.18 0.90 -0.19 0.00 -2.02 0.00 0.00 63.50 62.38 2hxa n PRO 75 Cb 0.41 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 2hxa n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2hxa n ASP 76 N 2.49 -5.33 -4.62 2.55 8.00 -1.26 -4.92 116.55 113.46 2hxa n ASP 76 Ca 0.11 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.30 2hxa n ASP 76 Cb 0.35 -4.41 -0.03 0.00 -0.02 0.00 0.00 41.12 37.01 2hxa n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2hxa s ASP 77 N -2.34 5.86 0.15 -2.24 -1.08 -0.87 -4.85 116.67 111.29 2hxa s ASP 77 Ca 0.00 1.95 0.19 0.00 -0.52 0.00 0.00 52.55 54.16 2hxa s ASP 77 Cb 0.00 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.73 2hxa s ASP 77 CO 0.00 -1.63 1.57 -1.54 0.52 0.00 0.00 175.17 174.09 2hxa n SER 78 N 10.14 0.36 0.08 -0.34 3.41 -1.26 -1.86 113.62 124.15 2hxa n SER 78 Ca 0.25 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 2hxa n SER 78 Cb 0.44 -0.67 0.31 0.00 -0.26 0.00 0.00 64.21 64.03 2hxa n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2hxa n ARG 79 N -1.91 0.27 -2.86 4.33 1.74 -1.26 -4.75 116.66 112.21 2hxa n ARG 79 Ca 0.02 0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 2hxa n ARG 79 Cb 0.18 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 2hxa n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hxa s VAL 80 N -3.12 4.56 0.10 1.55 1.01 -0.78 -4.49 120.40 119.22 2hxa s VAL 80 Ca 0.09 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 2hxa s VAL 80 Cb 0.13 -4.36 -0.20 0.00 0.00 0.00 0.00 36.38 31.94 2hxa s VAL 80 CO 0.65 -0.70 1.25 0.40 0.00 0.00 0.00 175.10 176.70 2hxa h ILE 81 N 5.97 1.31 -1.90 2.22 2.04 -1.00 -3.47 117.51 122.68 2hxa h ILE 81 Ca -0.24 -2.25 -0.02 0.00 1.00 0.00 0.00 64.86 63.35 2hxa h ILE 81 Cb 1.08 2.32 -0.21 0.00 -0.74 0.00 0.00 36.82 39.26 2hxa h ILE 81 CO 0.99 0.69 0.24 0.00 0.00 0.00 0.00 178.15 180.08 2hxa s ALA 82 N -3.39 -1.82 -0.01 1.87 0.00 -1.22 -5.00 121.76 112.19 2hxa s ALA 82 Ca -0.09 1.69 -0.20 0.00 0.00 0.00 0.00 51.96 53.37 2hxa s ALA 82 Cb 0.08 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.52 2hxa s ALA 82 CO 0.90 -0.33 0.43 -3.38 0.00 0.00 0.00 175.76 173.38 2hxa s HIS 83 N -0.41 -0.32 0.73 0.00 -3.43 -1.26 -0.47 115.29 110.13 2hxa s HIS 83 Ca -0.04 0.47 -0.03 0.00 -0.80 0.00 0.00 55.06 54.66 2hxa s HIS 83 Cb -0.03 0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.45 2hxa s HIS 83 CO 0.04 -0.49 1.02 0.95 -2.00 0.00 0.00 174.74 174.25 2hxa s THR 84 N -1.59 2.18 0.79 -5.38 -4.23 -0.10 -4.84 115.64 102.47 2hxa s THR 84 Ca -0.11 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2hxa s THR 84 Cb -0.03 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.19 2hxa s THR 84 CO 0.04 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.66 2hxa s LYS 85 N -5.21 2.14 0.19 3.99 -2.85 -1.26 -4.64 119.74 112.09 2hxa s LYS 85 Ca 0.66 0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 55.69 2hxa s LYS 85 Cb -0.06 -1.95 -0.08 0.00 -2.06 0.00 0.00 37.83 33.68 2hxa s LYS 85 CO 0.45 -1.52 1.09 -1.17 0.10 0.00 0.00 175.35 174.29 2hxa s LEU 86 N -5.63 4.51 0.01 2.77 2.96 -1.26 -4.45 118.68 117.59 2hxa s LEU 86 Ca 0.61 2.10 0.04 0.00 -0.22 0.00 0.00 54.13 56.65 2hxa s LEU 86 Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2hxa s LEU 86 CO 0.52 -0.19 -0.11 0.27 -1.32 0.00 0.00 176.35 175.52 2hxa s ILE 87 N -0.40 0.90 0.32 6.68 -4.36 0.32 -4.90 121.20 119.75 2hxa s ILE 87 Ca 0.48 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 60.27 2hxa s ILE 87 Cb -0.29 -0.78 0.06 0.00 1.25 0.00 0.00 42.46 42.70 2hxa s ILE 87 CO 0.35 0.15 0.44 0.61 0.24 0.00 0.00 174.94 176.73 2hxa n GLY 88 N 2.53 1.13 3.77 6.27 0.00 -1.26 -1.30 105.19 116.32 2hxa n GLY 88 Ca -0.15 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 2hxa n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hxa s SER 89 N -2.82 6.20 0.00 1.61 1.04 -0.42 -2.50 113.70 116.81 2hxa s SER 89 Ca 0.30 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.44 2hxa s SER 89 Cb -0.02 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2hxa s SER 89 CO 0.20 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2hxa n GLY 90 N 0.64 2.34 3.99 7.32 0.00 -0.60 -4.94 105.19 113.95 2hxa n GLY 90 Ca 0.04 0.00 -0.20 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 -0.03 2.48 0.15 1.61 2.02 -1.04 -4.98 118.70 118.91 2hxa s GLU 91 Ca 0.00 -1.06 -0.22 0.00 0.02 0.00 0.00 54.97 53.71 2hxa s GLU 91 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.73 2hxa s GLU 91 CO 0.00 -0.71 0.57 -1.59 0.02 0.00 0.00 175.26 173.55 2hxa s LYS 92 N -4.69 1.25 -0.07 1.61 -2.85 -1.26 -3.34 119.74 110.38 2hxa s LYS 92 Ca 0.58 -0.51 -0.28 0.00 -1.00 0.00 0.00 55.97 54.76 2hxa s LYS 92 Cb -0.09 0.57 0.06 0.00 -2.06 0.00 0.00 37.83 36.31 2hxa s LYS 92 CO 0.38 -0.54 0.64 0.34 0.10 0.00 0.00 175.35 176.27 2hxa s ASP 93 N -2.76 -0.62 0.13 0.03 2.15 -0.49 -5.02 116.67 110.09 2hxa s ASP 93 Ca 0.01 0.74 0.10 0.00 0.43 0.00 0.00 52.55 53.83 2hxa s ASP 93 Cb -0.01 0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 43.20 2hxa s ASP 93 CO -0.13 -0.54 -0.20 -0.44 -0.17 0.00 0.00 175.17 173.69 2hxa s SER 94 N -1.00 3.75 -0.03 -0.34 0.01 -1.26 -0.48 113.70 114.36 2hxa s SER 94 Ca -0.10 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.56 2hxa s SER 94 Cb -0.01 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2hxa s SER 94 CO 0.08 0.17 -0.10 0.54 0.41 0.00 0.00 173.24 174.34 2hxa s VAL 95 N -1.21 0.83 -0.02 3.43 0.11 -0.63 -4.91 120.40 118.00 2hxa s VAL 95 Ca 0.18 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2hxa s VAL 95 Cb -0.10 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2hxa s VAL 95 CO 0.10 0.26 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.11 2hxa s THR 96 N 0.14 3.24 0.02 5.04 2.01 -1.26 -0.98 115.64 123.85 2hxa s THR 96 Ca -0.02 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 2hxa s THR 96 Cb -0.08 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 2hxa s THR 96 CO 0.00 0.50 -0.02 0.72 -0.69 0.00 0.00 174.62 175.14 2hxa s PHE 97 N -0.84 0.24 -0.07 4.92 -0.71 -0.18 -4.95 117.98 116.39 2hxa s PHE 97 Ca 0.14 -0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 55.24 2hxa s PHE 97 Cb -0.11 -0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.48 2hxa s PHE 97 CO 0.03 -0.19 1.61 0.34 -1.34 0.00 0.00 175.22 175.68 2hxa s ASP 98 N -1.40 6.69 0.38 1.98 2.15 -1.26 -1.16 116.67 124.05 2hxa s ASP 98 Ca -0.15 2.17 0.27 0.00 0.43 0.00 0.00 52.55 55.27 2hxa s ASP 98 Cb -0.09 -2.53 1.33 0.00 -0.30 0.00 0.00 42.92 41.32 2hxa s ASP 98 CO -0.01 -0.92 1.83 0.58 -0.17 0.00 0.00 175.17 176.48 2hxa h VAL 99 N 5.58 0.00 0.00 1.11 2.07 -1.70 -2.31 116.25 121.00 2hxa h VAL 99 Ca -0.38 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2hxa h VAL 99 Cb 1.17 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2hxa h VAL 99 CO 0.96 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.01 2hxa n SER 100 N -2.48 0.39 0.00 0.57 3.41 -1.26 -1.41 113.62 112.84 2hxa n SER 100 Ca -0.00 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 2hxa n SER 100 Cb 0.14 -0.67 0.44 0.00 -0.26 0.00 0.00 64.21 63.85 2hxa n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hxa n LYS 101 N -1.92 0.03 -3.69 4.33 5.02 -0.87 -4.67 118.16 116.39 2hxa n LYS 101 Ca 0.03 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 2hxa n LYS 101 Cb 0.24 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.96 3.96 -0.91 -0.35 1.43 -0.50 -5.00 118.68 114.35 2hxa s LEU 102 Ca 0.11 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2hxa s LEU 102 Cb 0.13 -2.07 0.30 0.00 0.03 0.00 0.00 46.19 44.58 2hxa s LEU 102 CO 0.36 0.03 1.31 0.29 0.23 0.00 0.00 176.35 178.57 2hxa n LYS 103 N 4.52 4.04 -0.59 1.70 5.02 -1.26 -4.99 118.16 126.59 2hxa n LYS 103 Ca -0.15 -4.64 -0.05 0.00 -2.02 0.00 0.00 58.31 51.45 2hxa n LYS 103 Cb 0.52 -2.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 2hxa n LYS 103 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2hxa n GLU 104 N 0.80 0.03 0.00 1.97 0.28 -1.26 -4.38 120.64 118.09 2hxa n GLU 104 Ca 0.31 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2hxa n GLU 104 Cb 0.34 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 33.01 2hxa n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hxa n GLY 105 N 3.45 3.02 3.75 -1.84 0.00 -1.00 -5.01 105.19 107.56 2hxa n GLY 105 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.19 4.63 -0.38 1.61 2.12 -1.26 -4.91 118.70 120.30 2hxa s GLU 106 Ca 0.00 1.75 -0.25 0.00 0.36 0.00 0.00 54.97 56.83 2hxa s GLU 106 Cb 0.00 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2hxa s GLU 106 CO 0.00 0.16 0.89 -0.65 -0.54 0.00 0.00 175.26 175.12 2hxa s GLN 107 N -0.91 3.77 0.70 4.30 -0.21 -1.26 -4.18 119.66 121.87 2hxa s GLN 107 Ca 0.47 0.44 -0.02 0.00 0.02 0.00 0.00 55.36 56.27 2hxa s GLN 107 Cb -0.31 -3.83 0.10 0.00 1.00 0.00 0.00 33.01 29.98 2hxa s GLN 107 CO 0.38 -0.97 0.97 0.71 -2.12 0.00 0.00 175.29 174.26 2hxa s TYR 108 N 3.43 2.04 -0.08 0.91 2.02 0.60 -4.34 117.35 121.93 2hxa s TYR 108 Ca 0.36 -0.08 0.05 0.00 -0.37 0.00 0.00 57.07 57.03 2hxa s TYR 108 Cb -0.12 -3.05 -0.01 0.00 -0.40 0.00 0.00 41.96 38.39 2hxa s TYR 108 CO 0.19 -1.55 -0.23 -1.64 -1.57 0.00 0.00 175.55 170.75 2hxa s MET 109 N -5.13 2.77 0.08 -0.62 -1.94 -0.57 -1.31 119.30 112.58 2hxa s MET 109 Ca 0.64 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.78 2hxa s MET 109 Cb -0.07 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 2hxa s MET 109 CO 0.44 0.32 0.07 -0.59 -0.01 0.00 0.00 175.02 175.25 2hxa s PHE 110 N 0.01 3.17 0.10 -0.03 -0.12 -0.03 -1.92 117.98 119.17 2hxa s PHE 110 Ca -0.08 0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.61 2hxa s PHE 110 Cb -0.15 -1.61 0.08 0.00 -0.63 0.00 0.00 43.02 40.71 2hxa s PHE 110 CO 0.05 0.52 0.70 -0.59 -0.05 0.00 0.00 175.22 175.85 2hxa s PHE 111 N -1.39 -0.48 -0.12 3.49 -0.71 -0.39 -0.84 117.98 117.54 2hxa s PHE 111 Ca 0.29 0.30 -0.21 0.00 -1.04 0.00 0.00 56.93 56.27 2hxa s PHE 111 Cb -0.12 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 2hxa s PHE 111 CO 0.22 -0.74 0.61 0.00 -1.34 0.00 0.00 175.22 173.97 2hxa h SER 113 N 6.93 0.22 -0.67 0.00 4.64 -1.88 0.70 113.55 123.49 2hxa h SER 113 Ca -0.39 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 2hxa h SER 113 Cb 1.18 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 2hxa h SER 113 CO 0.76 0.53 0.43 1.55 -0.87 0.00 0.00 176.83 179.24 2hxa h PRO 114 N -0.10 0.89 -0.31 4.77 0.13 -1.90 -3.28 132.00 132.20 2hxa h PRO 114 Ca 0.03 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2hxa h PRO 114 Cb 0.43 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.37 2hxa h PRO 114 CO 0.01 0.59 0.00 0.72 -0.23 0.00 0.00 178.00 179.09 2hxa n HIS 115 N -4.43 0.40 -0.20 1.56 8.25 -1.18 -4.61 115.22 115.02 2hxa n HIS 115 Ca 0.07 -0.36 0.01 0.00 -0.26 0.00 0.00 57.72 57.18 2hxa n HIS 115 Cb 0.04 -0.02 0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 2.50 0.13 0.00 -0.41 -0.00 -0.92 -0.24 115.11 116.18 2hxa h GLN 116 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2hxa h GLN 116 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.17 2hxa h GLN 116 CO 0.00 0.09 0.00 0.78 0.00 0.00 0.00 178.83 179.70 2hxa h GLY 117 N 0.14 0.00 -2.35 2.39 0.00 -1.85 -0.04 103.07 101.36 2hxa h GLY 117 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2hxa h GLY 117 CO -0.51 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.03 2hxa n ALA 118 N -2.01 2.41 0.00 3.60 0.00 -0.12 -4.96 120.51 119.43 2hxa n ALA 118 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2hxa n ALA 118 Cb 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.54 1.01 3.51 0.00 0.00 -0.03 -5.01 105.19 106.20 2hxa n GLY 119 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2hxa n GLY 119 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hxa s MET 120 N -0.47 4.00 -0.00 1.61 -1.94 -1.12 -4.84 119.30 116.54 2hxa s MET 120 Ca 0.00 -2.26 -0.29 0.00 -1.71 0.00 0.00 55.69 51.43 2hxa s MET 120 Cb 0.00 -5.23 0.10 0.00 2.01 0.00 0.00 34.83 31.71 2hxa s MET 120 CO 0.00 -1.96 0.90 -1.59 -0.01 0.00 0.00 175.02 172.36 2hxa s LYS 121 N 2.72 0.82 0.02 2.03 -2.85 -1.26 -1.17 119.74 120.05 2hxa s LYS 121 Ca 0.46 -0.31 -0.27 0.00 -1.00 0.00 0.00 55.97 54.85 2hxa s LYS 121 Cb -0.00 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 36.23 2hxa s LYS 121 CO 0.02 -0.36 1.22 0.41 0.10 0.00 0.00 175.35 176.73 2hxa n GLY 122 N -0.25 0.30 3.91 0.59 0.00 -0.02 -4.77 105.19 104.94 2hxa n GLY 122 Ca -0.08 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 5.12 -0.06 2.61 -4.23 -0.49 -0.85 115.64 115.72 2hxa s THR 123 Ca 0.28 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 2hxa s THR 123 Cb -0.01 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2hxa s THR 123 CO 0.01 -0.18 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.64 2hxa s LEU 124 N -3.24 1.23 -0.05 4.79 0.20 -0.43 -1.05 118.68 120.13 2hxa s LEU 124 Ca 0.41 -0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.09 2hxa s LEU 124 Cb -0.11 -0.53 0.02 0.00 -0.43 0.00 0.00 46.19 45.14 2hxa s LEU 124 CO 0.28 -0.07 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.32 2hxa s THR 125 N 1.14 0.64 -0.29 3.68 2.01 -0.71 -0.29 115.64 121.82 2hxa s THR 125 Ca -0.07 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2hxa s THR 125 Cb -0.14 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.74 2hxa s THR 125 CO -0.01 0.25 1.07 -0.22 -0.69 0.00 0.00 174.62 175.02 2hxa s LEU 126 N 0.93 3.99 0.00 4.42 0.20 -1.26 -0.77 118.68 126.19 2hxa s LEU 126 Ca -0.11 1.17 0.28 0.00 0.69 0.00 0.00 54.13 56.16 2hxa s LEU 126 Cb -0.14 -3.54 1.04 0.00 -0.43 0.00 0.00 46.19 43.11 2hxa s LEU 126 CO 0.00 -0.81 1.74 2.29 -0.29 0.00 0.00 176.35 179.28