#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhs s ARG 2 N 0.00 1.18 0.01 2.12 3.00 -1.26 -1.30 118.95 122.70 1xhs s ARG 2 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 55.73 55.16 1xhs s ARG 2 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 34.95 33.78 1xhs s ARG 2 CO 0.00 0.31 -0.01 -1.50 0.00 0.00 0.00 175.30 174.10 1xhs s ILE 3 N -0.41 0.08 -0.40 1.52 2.07 -1.03 -2.44 121.20 120.60 1xhs s ILE 3 Ca 0.05 -0.70 -0.17 0.00 -1.41 0.00 0.00 60.65 58.43 1xhs s ILE 3 Cb -0.06 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.32 1xhs s ILE 3 CO -0.00 -0.38 0.42 0.12 -1.91 0.00 0.00 174.94 173.18 1xhs s PHE 4 N -1.13 3.18 -0.23 3.50 5.36 -0.86 -2.31 117.98 125.48 1xhs s PHE 4 Ca -0.12 -0.29 -0.14 0.00 -0.96 0.00 0.00 56.93 55.41 1xhs s PHE 4 Cb -0.08 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 1xhs s PHE 4 CO -0.01 -0.63 0.33 0.08 -1.46 0.00 0.00 175.22 173.53 1xhs s VAL 5 N 2.10 5.23 -1.42 3.12 1.01 0.31 -4.83 120.40 125.92 1xhs s VAL 5 Ca 0.12 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 1xhs s VAL 5 Cb -0.17 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1xhs s VAL 5 CO 0.13 0.24 2.14 0.00 0.00 0.00 0.00 175.10 177.61 1xhs n TYR 6 N 4.73 3.62 0.00 5.22 0.18 -1.26 0.77 117.16 130.43 1xhs n TYR 6 Ca -0.10 -2.95 0.00 0.00 1.88 0.00 0.00 57.90 56.73 1xhs n TYR 6 Cb 0.51 -2.51 0.00 0.00 -0.38 0.00 0.00 39.34 36.96 1xhs n TYR 6 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xhs n GLY 7 N 4.12 1.64 3.52 -7.48 0.00 -1.12 -4.81 105.19 101.06 1xhs n GLY 7 Ca 0.50 0.18 -0.52 0.00 0.00 0.00 0.00 46.02 46.19 1xhs n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xhs n SER 8 N 5.10 2.35 0.04 1.61 3.41 -1.26 -4.82 113.62 120.05 1xhs n SER 8 Ca 0.00 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.27 1xhs n SER 8 Cb 0.00 -1.25 -0.07 0.00 -0.26 0.00 0.00 64.21 62.62 1xhs n SER 8 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xhs n LEU 9 N 8.59 0.64 0.00 1.04 7.94 -1.26 -4.69 117.00 129.26 1xhs n LEU 9 Ca 0.36 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1xhs n LEU 9 Cb 0.22 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1xhs n LEU 9 CO 0.77 0.03 0.20 0.54 -1.11 0.00 0.00 177.39 177.81 1xhs n ARG 10 N -2.70 0.00 0.00 1.96 5.12 -1.26 -4.70 116.66 115.08 1xhs n ARG 10 Ca -0.07 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1xhs n ARG 10 Cb 0.72 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 1xhs n ARG 10 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1xhs n HIS 11 N -0.66 0.00 -3.55 -1.55 8.25 -1.26 -4.25 115.22 112.21 1xhs n HIS 11 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1xhs n HIS 11 Cb 0.00 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 1xhs n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xhs s LYS 12 N 0.00 0.14 -0.18 -0.41 1.02 -1.26 -4.93 119.74 114.12 1xhs s LYS 12 Ca 0.00 0.22 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 1xhs s LYS 12 Cb 0.00 -1.15 0.06 0.00 -0.52 0.00 0.00 37.83 36.23 1xhs s LYS 12 CO 0.00 -0.59 0.10 -1.14 -0.92 0.00 0.00 175.35 172.80 1xhs s GLN 13 N 2.29 0.07 0.00 1.68 -0.44 -1.26 -4.83 119.66 117.17 1xhs s GLN 13 Ca 0.05 -0.07 0.00 0.00 -2.50 0.00 0.00 55.36 52.84 1xhs s GLN 13 Cb -0.15 -1.76 0.00 0.00 -1.64 0.00 0.00 33.01 29.46 1xhs s GLN 13 CO -0.10 -0.68 0.00 0.41 0.50 0.00 0.00 175.29 175.42 1xhs n GLY 14 N 5.28 0.00 0.00 2.59 0.00 -1.26 -4.98 105.19 106.82 1xhs n GLY 14 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xhs n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhs n ASN 15 N -0.03 0.00 -4.75 1.61 6.94 -1.26 -5.14 115.26 112.63 1xhs n ASN 15 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.25 1xhs n ASN 15 Cb 0.00 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.53 1xhs n ASN 15 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xhs s SER 16 N -0.64 4.12 0.00 0.53 0.01 -1.26 -4.88 113.70 111.58 1xhs s SER 16 Ca 0.00 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.08 1xhs s SER 16 Cb 0.00 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.84 1xhs s SER 16 CO 0.00 -2.27 0.64 1.41 0.41 0.00 0.00 173.24 173.43 1xhs n HIS 17 N -3.68 0.00 0.16 2.43 8.25 -1.26 -4.25 115.22 116.88 1xhs n HIS 17 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 1xhs n HIS 17 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1xhs n HIS 17 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1xhs h TRP 18 N 0.00 -1.37 -3.42 4.41 -0.00 -1.90 -3.34 115.95 110.33 1xhs h TRP 18 Ca 0.00 0.03 -0.64 0.00 -0.00 0.00 0.00 58.89 58.28 1xhs h TRP 18 Cb 0.00 0.57 -0.41 0.00 -0.00 0.00 0.00 29.16 29.32 1xhs h TRP 18 CO 0.00 -0.57 -0.67 1.41 -0.00 0.00 0.00 178.44 178.61 1xhs s MET 19 N -5.54 1.73 0.00 2.65 1.75 -1.26 -4.61 119.30 114.02 1xhs s MET 19 Ca -0.15 -2.31 0.00 0.00 -1.25 0.00 0.00 55.69 51.98 1xhs s MET 19 Cb 0.05 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.57 1xhs s MET 19 CO 0.55 -1.06 0.00 2.41 -0.65 0.00 0.00 175.02 176.27 1xhs n THR 20 N 3.52 0.00 -1.85 10.11 -1.04 -1.25 -4.91 114.28 118.85 1xhs n THR 20 Ca 0.05 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1xhs n THR 20 Cb 0.35 -0.11 0.09 0.00 -1.82 0.00 0.00 70.33 68.84 1xhs n THR 20 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xhs n ASN 21 N -1.88 1.23 -4.57 8.00 0.23 -1.26 -5.04 115.26 111.97 1xhs n ASN 21 Ca 0.00 -2.73 -0.40 0.00 -0.53 0.00 0.00 54.58 50.92 1xhs n ASN 21 Cb 0.00 -0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 37.31 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xhs s ALA 22 N -1.45 2.30 -0.25 -2.53 0.00 -1.26 -4.63 121.76 113.94 1xhs s ALA 22 Ca 0.27 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1xhs s ALA 22 Cb 0.27 -4.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1xhs s ALA 22 CO -0.06 -3.51 0.34 -1.14 0.00 0.00 0.00 175.76 171.39 1xhs s GLN 23 N 6.95 4.06 -0.49 0.00 0.74 -0.22 -4.92 119.66 125.79 1xhs s GLN 23 Ca 0.89 0.03 -0.28 0.00 0.05 0.00 0.00 55.36 56.05 1xhs s GLN 23 Cb -0.22 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.29 1xhs s GLN 23 CO 0.29 -0.16 1.55 -1.17 -0.55 0.00 0.00 175.29 175.25 1xhs s LEU 24 N 1.72 3.45 -0.05 3.68 2.96 -1.26 -1.01 118.68 128.16 1xhs s LEU 24 Ca 0.15 0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 1xhs s LEU 24 Cb -0.15 -3.18 -0.31 0.00 0.50 0.00 0.00 46.19 43.05 1xhs s LEU 24 CO 0.09 -1.74 0.84 -0.07 -1.32 0.00 0.00 176.35 174.15 1xhs h LEU 25 N 13.48 0.47 0.00 -0.68 3.38 -1.81 -3.49 115.31 126.66 1xhs h LEU 25 Ca -0.28 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.76 1xhs h LEU 25 Cb 1.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xhs h LEU 25 CO 1.13 1.45 0.00 0.61 0.09 0.00 0.00 178.44 181.73 1xhs n GLY 26 N 1.68 3.40 3.84 0.83 0.00 -1.07 -5.03 105.19 108.84 1xhs n GLY 26 Ca -0.16 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1xhs n GLY 26 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xhs s ASP 27 N 0.00 5.97 -0.38 1.61 -4.77 -1.26 -0.58 116.67 117.26 1xhs s ASP 27 Ca 0.00 1.56 0.04 0.00 -3.30 0.00 0.00 52.55 50.86 1xhs s ASP 27 Cb 0.00 -2.49 0.16 0.00 -1.09 0.00 0.00 42.92 39.50 1xhs s ASP 27 CO 0.00 -1.04 0.44 0.12 0.70 0.00 0.00 175.17 175.39 1xhs s PHE 28 N -2.94 -0.66 -0.01 2.11 5.36 0.18 -4.76 117.98 117.26 1xhs s PHE 28 Ca 0.58 -0.56 -0.30 0.00 -0.96 0.00 0.00 56.93 55.69 1xhs s PHE 28 Cb -0.12 -0.22 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 1xhs s PHE 28 CO 0.48 -1.02 0.99 -1.12 -1.46 0.00 0.00 175.22 173.08 1xhs s SER 29 N 1.52 7.35 0.01 6.13 0.01 -1.25 -2.56 113.70 124.91 1xhs s SER 29 Ca 0.17 1.65 0.07 0.00 1.31 0.00 0.00 55.95 59.15 1xhs s SER 29 Cb -0.12 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1xhs s SER 29 CO -0.04 -0.29 -0.22 0.27 0.41 0.00 0.00 173.24 173.37 1xhs s ILE 30 N 1.15 1.79 0.50 1.44 -4.36 0.47 -4.92 121.20 117.27 1xhs s ILE 30 Ca 0.52 -1.08 -0.01 0.00 -0.26 0.00 0.00 60.65 59.82 1xhs s ILE 30 Cb -0.21 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.00 1xhs s ILE 30 CO 0.27 0.40 0.74 -1.81 0.24 0.00 0.00 174.94 174.77 1xhs s ASP 31 N -0.80 5.67 -0.97 4.36 1.11 -1.26 0.31 116.67 125.09 1xhs s ASP 31 Ca 0.09 0.31 0.00 0.00 0.18 0.00 0.00 52.55 53.12 1xhs s ASP 31 Cb -0.09 -1.43 0.00 0.00 1.07 0.00 0.00 42.92 42.47 1xhs s ASP 31 CO 0.00 -0.86 0.00 0.59 1.18 0.00 0.00 175.17 176.08 1xhs n ASN 32 N -2.23 -3.69 -4.13 0.27 3.02 0.98 -4.83 115.26 104.65 1xhs n ASN 32 Ca 0.03 0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.50 1xhs n ASN 32 Cb 0.58 -2.82 -0.10 0.00 -0.61 0.00 0.00 39.78 36.82 1xhs n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xhs s TYR 33 N -2.53 0.78 0.13 3.10 2.02 -0.43 -0.27 117.35 120.15 1xhs s TYR 33 Ca 0.00 -0.84 0.08 0.00 -0.37 0.00 0.00 57.07 55.93 1xhs s TYR 33 Cb 0.00 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 1xhs s TYR 33 CO 0.00 -0.17 -0.18 -0.65 -1.57 0.00 0.00 175.55 172.98 1xhs s GLN 34 N -3.34 1.13 -0.14 -0.62 -0.21 0.87 -2.87 119.66 114.48 1xhs s GLN 34 Ca 0.06 -1.25 0.02 0.00 0.02 0.00 0.00 55.36 54.21 1xhs s GLN 34 Cb 0.02 -1.23 0.01 0.00 1.00 0.00 0.00 33.01 32.81 1xhs s GLN 34 CO -0.04 0.26 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.02 1xhs s LEU 35 N -2.27 2.21 -0.09 2.90 2.96 -1.08 -1.45 118.68 121.85 1xhs s LEU 35 Ca 0.10 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 1xhs s LEU 35 Cb -0.07 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 1xhs s LEU 35 CO 0.05 0.09 0.27 -0.31 -1.32 0.00 0.00 176.35 175.13 1xhs s TYR 36 N 0.74 3.61 -0.42 5.38 2.02 0.26 0.93 117.35 129.86 1xhs s TYR 36 Ca -0.08 0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 57.26 1xhs s TYR 36 Cb -0.16 -2.16 0.10 0.00 -0.40 0.00 0.00 41.96 39.34 1xhs s TYR 36 CO 0.00 0.58 0.25 -1.54 -1.57 0.00 0.00 175.55 173.27 1xhs s SER 37 N -0.66 5.47 0.00 2.29 1.04 0.19 -1.42 113.70 120.61 1xhs s SER 37 Ca 0.18 -1.81 0.15 0.00 0.48 0.00 0.00 55.95 54.95 1xhs s SER 37 Cb -0.14 -1.92 0.20 0.00 0.10 0.00 0.00 66.02 64.26 1xhs s SER 37 CO 0.07 -0.57 1.08 0.00 0.98 0.00 0.00 173.24 174.79 1xhs n LEU 38 N 4.78 2.52 0.00 2.42 -0.00 -1.26 -2.50 117.00 122.96 1xhs n LEU 38 Ca -0.07 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.68 1xhs n LEU 38 Cb 0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1xhs n LEU 38 CO 0.37 0.51 0.00 0.61 -0.00 0.00 0.00 177.39 178.89 1xhs n GLY 39 N 0.86 -1.56 5.00 1.47 0.00 -1.26 -4.84 105.19 104.85 1xhs n GLY 39 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1xhs n GLY 39 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xhs n HIS 40 N -0.79 0.00 -3.65 1.61 8.25 -1.26 -4.63 115.22 114.75 1xhs n HIS 40 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1xhs n HIS 40 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1xhs n HIS 40 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1xhs s TYR 41 N 0.00 -0.99 1.13 4.41 -0.85 -1.26 -4.16 117.35 115.64 1xhs s TYR 41 Ca 0.00 1.97 -0.18 0.00 -0.52 0.00 0.00 57.07 58.34 1xhs s TYR 41 Cb 0.00 0.57 0.26 0.00 0.38 0.00 0.00 41.96 43.17 1xhs s TYR 41 CO 0.00 -0.50 1.17 -2.14 -1.52 0.00 0.00 175.55 172.56 1xhs s PRO 42 N 1.68 -0.69 0.12 -3.49 0.02 -1.26 -4.24 135.00 127.15 1xhs s PRO 42 Ca -0.10 -0.17 -0.13 0.00 0.02 0.00 0.00 61.00 60.63 1xhs s PRO 42 Cb -0.06 -1.67 0.02 0.00 0.02 0.00 0.00 34.50 32.81 1xhs s PRO 42 CO -0.18 -3.34 0.33 0.20 -0.33 0.00 0.00 177.00 173.68 1xhs s GLY 43 N -4.19 -0.05 0.13 0.52 0.00 -0.50 -4.96 107.32 98.26 1xhs s GLY 43 Ca 0.72 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.13 1xhs s GLY 43 CO 0.55 -0.53 -0.11 0.00 0.00 0.00 0.00 173.10 173.02 1xhs s ALA 44 N -3.85 1.36 0.16 3.20 0.00 -1.21 0.93 121.76 122.34 1xhs s ALA 44 Ca 0.06 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 1xhs s ALA 44 Cb 0.03 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1xhs s ALA 44 CO -0.10 -0.06 0.36 0.14 0.00 0.00 0.00 175.76 176.11 1xhs s VAL 45 N -2.96 0.07 0.87 0.00 -7.23 -0.53 -3.01 120.40 107.61 1xhs s VAL 45 Ca 0.13 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 1xhs s VAL 45 Cb 0.00 -1.57 0.12 0.00 0.56 0.00 0.00 36.38 35.49 1xhs s VAL 45 CO 0.01 -0.30 1.10 -2.84 -0.31 0.00 0.00 175.10 172.76 1xhs s PRO 46 N -3.89 1.44 0.00 4.82 0.02 -1.26 -0.09 135.00 136.03 1xhs s PRO 46 Ca 0.10 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1xhs s PRO 46 Cb 0.02 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1xhs s PRO 46 CO -0.05 -2.21 0.00 0.41 -0.33 0.00 0.00 177.00 174.82 1xhs n GLY 47 N -0.67 -0.52 2.68 0.52 0.00 0.63 -4.49 105.19 103.34 1xhs n GLY 47 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xhs n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xhs s ASN 48 N -4.00 1.45 0.08 1.61 3.04 -1.26 -4.30 114.94 111.56 1xhs s ASN 48 Ca 0.00 -1.83 -0.27 0.00 0.04 0.00 0.00 52.86 50.80 1xhs s ASN 48 Cb 0.00 0.35 0.08 0.00 -1.54 0.00 0.00 41.25 40.14 1xhs s ASN 48 CO 0.00 -0.25 1.06 -0.83 -3.04 0.00 0.00 177.10 174.03 1xhs s GLY 49 N 1.22 -0.30 -0.36 1.21 0.00 -1.14 -4.82 107.32 103.14 1xhs s GLY 49 Ca 0.19 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1xhs s GLY 49 CO -0.03 0.08 0.20 -1.59 0.00 0.00 0.00 173.10 171.76 1xhs s THR 50 N -3.00 4.72 -0.35 0.90 2.01 -1.24 -0.01 115.64 118.66 1xhs s THR 50 Ca 0.12 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 1xhs s THR 50 Cb 0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 1xhs s THR 50 CO -0.00 -0.14 0.32 -0.69 -0.69 0.00 0.00 174.62 173.42 1xhs s VAL 51 N 1.60 5.21 -0.59 3.82 1.01 0.15 -2.25 120.40 129.34 1xhs s VAL 51 Ca 0.03 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1xhs s VAL 51 Cb -0.18 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1xhs s VAL 51 CO 0.07 -0.10 1.27 -1.00 0.00 0.00 0.00 175.10 175.33 1xhs s HIS 52 N 1.91 2.48 0.39 5.22 3.76 -0.79 -0.39 115.29 127.86 1xhs s HIS 52 Ca 0.09 0.39 0.08 0.00 -0.15 0.00 0.00 55.06 55.47 1xhs s HIS 52 Cb -0.17 -4.49 -0.07 0.00 1.11 0.00 0.00 32.58 28.96 1xhs s HIS 52 CO 0.11 -1.75 0.04 0.20 -0.85 0.00 0.00 174.74 172.50 1xhs s GLY 53 N 3.45 2.33 -0.06 -2.22 0.00 -1.06 -2.77 107.32 106.99 1xhs s GLY 53 Ca 0.45 -2.16 0.01 0.00 0.00 0.00 0.00 44.72 43.02 1xhs s GLY 53 CO 0.24 -2.00 -0.08 -0.54 0.00 0.00 0.00 173.10 170.72 1xhs s GLU 54 N -3.75 1.32 -0.30 2.90 2.02 0.23 0.47 118.70 121.58 1xhs s GLU 54 Ca 0.36 -0.26 -0.19 0.00 0.02 0.00 0.00 54.97 54.90 1xhs s GLU 54 Cb 0.05 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 1xhs s GLU 54 CO 0.19 -0.05 0.56 0.08 0.02 0.00 0.00 175.26 176.06 1xhs s VAL 55 N 0.90 5.00 0.19 2.63 1.01 0.26 -0.53 120.40 129.87 1xhs s VAL 55 Ca -0.11 0.71 0.10 0.00 0.00 0.00 0.00 61.98 62.68 1xhs s VAL 55 Cb -0.15 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1xhs s VAL 55 CO 0.01 -0.09 -0.15 -0.31 0.00 0.00 0.00 175.10 174.56 1xhs s TYR 56 N 2.45 2.50 -0.15 5.22 1.51 -0.98 -2.28 117.35 125.62 1xhs s TYR 56 Ca 0.22 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.97 1xhs s TYR 56 Cb -0.15 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1xhs s TYR 56 CO 0.11 0.52 -0.04 0.50 -1.11 0.00 0.00 175.55 175.54 1xhs s ARG 57 N -2.85 3.65 0.24 -0.62 3.52 -0.18 -2.46 118.95 120.24 1xhs s ARG 57 Ca 0.24 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1xhs s ARG 57 Cb -0.08 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1xhs s ARG 57 CO 0.13 0.27 0.26 0.96 -0.81 0.00 0.00 175.30 176.11 1xhs s ILE 58 N 0.30 0.00 0.35 4.11 -5.25 -0.42 -1.05 121.20 119.24 1xhs s ILE 58 Ca -0.03 -1.84 -0.26 0.00 -0.99 0.00 0.00 60.65 57.53 1xhs s ILE 58 Cb -0.14 -2.45 -0.12 0.00 2.95 0.00 0.00 42.46 42.69 1xhs s ILE 58 CO 0.03 0.00 0.99 0.47 -1.79 0.00 0.00 174.94 174.64 1xhs n ASP 59 N -0.57 1.20 -0.35 4.36 8.00 -1.26 0.32 116.55 128.24 1xhs n ASP 59 Ca 0.02 1.10 0.06 0.00 0.71 0.00 0.00 54.79 56.68 1xhs n ASP 59 Cb 0.64 -1.31 0.24 0.00 -0.02 0.00 0.00 41.12 40.67 1xhs n ASP 59 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1xhs h ASN 60 N 1.76 0.93 -0.50 -2.24 4.21 -2.01 -1.58 115.58 116.15 1xhs h ASN 60 Ca -0.42 0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.08 1xhs h ASN 60 Cb 1.34 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 38.36 1xhs h ASN 60 CO 0.58 0.53 0.16 0.00 -1.29 0.00 0.00 177.43 177.41 1xhs h ALA 61 N 1.52 1.24 -0.91 -0.83 0.00 -1.99 -2.47 119.26 115.81 1xhs h ALA 61 Ca 0.47 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1xhs h ALA 61 Cb 0.40 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1xhs h ALA 61 CO -0.23 0.54 0.59 1.15 0.00 0.00 0.00 179.25 181.30 1xhs h THR 62 N 0.81 0.95 0.05 0.00 2.02 -1.63 0.57 112.91 115.67 1xhs h THR 62 Ca 0.18 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xhs h THR 62 Cb 0.26 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1xhs h THR 62 CO -0.01 0.16 -0.02 0.25 0.37 0.00 0.00 175.52 176.27 1xhs h LEU 63 N 0.89 -0.06 -1.78 2.58 7.12 -1.39 -0.16 115.31 122.52 1xhs h LEU 63 Ca 0.43 -0.32 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 1xhs h LEU 63 Cb 0.45 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1xhs h LEU 63 CO -0.19 0.29 -0.13 0.00 -0.13 0.00 0.00 178.44 178.28 1xhs h ALA 64 N 0.52 1.74 0.05 1.25 0.00 -1.21 -0.88 119.26 120.73 1xhs h ALA 64 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xhs h ALA 64 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xhs h ALA 64 CO 0.01 0.16 -0.02 1.49 0.00 0.00 0.00 179.25 180.89 1xhs h GLU 65 N 0.00 -0.07 -0.86 0.00 4.81 0.49 -0.52 114.58 118.43 1xhs h GLU 65 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1xhs h GLU 65 Cb 0.23 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1xhs h GLU 65 CO 0.02 0.30 0.47 1.25 -0.73 0.00 0.00 179.01 180.32 1xhs h LEU 66 N -0.45 1.07 -0.35 1.64 6.46 -0.70 -1.98 115.31 121.00 1xhs h LEU 66 Ca -0.01 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1xhs h LEU 66 Cb 0.40 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1xhs h LEU 66 CO 0.01 0.85 0.12 0.44 -0.62 0.00 0.00 178.44 179.24 1xhs h ASP 67 N 1.20 0.50 0.24 1.25 3.32 -1.09 0.32 116.42 122.17 1xhs h ASP 67 Ca 0.30 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1xhs h ASP 67 Cb 0.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1xhs h ASP 67 CO -0.05 0.57 -0.19 0.00 -1.72 0.00 0.00 179.24 177.85 1xhs h ALA 68 N 0.96 1.56 0.00 3.45 0.00 -0.77 0.40 119.26 124.86 1xhs h ALA 68 Ca 0.11 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1xhs h ALA 68 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xhs h ALA 68 CO -0.00 0.23 -0.55 -0.07 0.00 0.00 0.00 179.25 178.85 1xhs h LEU 69 N 0.00 0.00 0.16 0.00 3.38 -1.04 -3.40 115.31 114.40 1xhs h LEU 69 Ca -0.00 -0.44 -0.32 0.00 0.09 0.00 0.00 57.88 57.21 1xhs h LEU 69 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xhs h LEU 69 CO 0.02 1.03 -1.60 -0.09 0.09 0.00 0.00 178.44 177.90 1xhs h ARG 70 N -1.00 0.33 0.00 1.13 2.43 -0.38 -3.44 114.38 113.45 1xhs h ARG 70 Ca -0.12 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1xhs h ARG 70 Cb 0.83 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1xhs h ARG 70 CO -0.07 1.27 -0.16 0.25 -1.51 0.00 0.00 179.97 179.75 1xhs n THR 71 N -3.74 0.34 0.00 0.20 -2.24 -0.67 -4.84 114.28 103.34 1xhs n THR 71 Ca -0.25 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1xhs n THR 71 Cb 1.00 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1xhs n THR 71 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xhs n ARG 72 N -2.90 0.00 0.00 -0.78 0.63 0.13 -4.18 116.66 109.56 1xhs n ARG 72 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1xhs n ARG 72 Cb 0.08 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.99 1xhs n ARG 72 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xhs n GLY 73 N 0.00 0.91 2.73 5.14 0.00 -1.26 -5.00 105.19 107.71 1xhs n GLY 73 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1xhs n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhs n GLY 74 N 3.57 1.78 0.36 -0.02 0.00 -1.26 -4.88 105.19 104.74 1xhs n GLY 74 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1xhs n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xhs h GLU 75 N 1.96 1.21 -4.74 1.61 4.57 -1.89 -3.44 114.58 113.87 1xhs h GLU 75 Ca -0.27 -0.12 -0.25 0.00 -1.18 0.00 0.00 59.36 57.54 1xhs h GLU 75 Cb 1.27 -0.25 -0.15 0.00 -0.16 0.00 0.00 28.75 29.47 1xhs h GLU 75 CO 0.04 0.86 -0.70 0.71 -1.18 0.00 0.00 179.01 178.75 1xhs s TYR 76 N -5.87 0.98 0.03 0.92 1.51 -1.26 -2.68 117.35 110.99 1xhs s TYR 76 Ca -0.12 -0.90 -0.21 0.00 -1.01 0.00 0.00 57.07 54.84 1xhs s TYR 76 Cb 0.17 -0.55 -0.06 0.00 -0.11 0.00 0.00 41.96 41.41 1xhs s TYR 76 CO 0.82 -0.11 0.60 0.00 -1.11 0.00 0.00 175.55 175.75 1xhs s ALA 77 N -3.58 3.51 -0.65 3.71 0.00 -0.65 -4.87 121.76 119.23 1xhs s ALA 77 Ca 0.14 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 1xhs s ALA 77 Cb 0.05 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.48 1xhs s ALA 77 CO -0.03 0.24 1.11 1.03 0.00 0.00 0.00 175.76 178.11 1xhs s ARG 78 N -0.53 3.26 -0.50 0.00 0.52 -1.26 -2.43 118.95 118.01 1xhs s ARG 78 Ca 0.31 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.08 1xhs s ARG 78 Cb -0.19 -4.14 0.12 0.00 0.52 0.00 0.00 34.95 31.26 1xhs s ARG 78 CO 0.18 -1.84 0.42 -1.14 0.02 0.00 0.00 175.30 172.94 1xhs s GLN 79 N 4.79 2.76 -0.53 3.54 0.74 0.16 -4.90 119.66 126.21 1xhs s GLN 79 Ca 0.32 -1.69 -0.28 0.00 0.05 0.00 0.00 55.36 53.76 1xhs s GLN 79 Cb -0.11 -4.11 0.02 0.00 1.10 0.00 0.00 33.01 29.91 1xhs s GLN 79 CO 0.17 -1.23 1.36 -1.17 -0.55 0.00 0.00 175.29 173.86 1xhs s LEU 80 N 1.50 3.46 -0.12 3.68 2.96 -1.26 0.27 118.68 129.17 1xhs s LEU 80 Ca 0.04 0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1xhs s LEU 80 Cb -0.28 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1xhs s LEU 80 CO 0.02 -1.59 0.11 0.27 -1.32 0.00 0.00 176.35 173.84 1xhs s ILE 81 N 5.66 5.25 -0.54 6.68 -4.36 0.88 -4.89 121.20 129.88 1xhs s ILE 81 Ca 0.52 0.11 -0.24 0.00 -0.26 0.00 0.00 60.65 60.78 1xhs s ILE 81 Cb -0.11 -3.28 0.04 0.00 1.25 0.00 0.00 42.46 40.36 1xhs s ILE 81 CO 0.27 0.60 0.93 -1.58 0.24 0.00 0.00 174.94 175.41 1xhs s GLN 82 N -0.88 3.35 0.28 0.37 2.00 -1.26 -0.33 119.66 123.19 1xhs s GLN 82 Ca 0.14 -0.23 0.07 0.00 -2.00 0.00 0.00 55.36 53.33 1xhs s GLN 82 Cb -0.12 -4.04 -0.03 0.00 0.80 0.00 0.00 33.01 29.62 1xhs s GLN 82 CO 0.03 -1.45 0.31 0.95 -0.50 0.00 0.00 175.29 174.63 1xhs s THR 83 N 3.90 4.40 0.57 -0.34 -4.23 -0.91 -4.96 115.64 114.07 1xhs s THR 83 Ca 0.31 -1.21 0.40 0.00 -1.18 0.00 0.00 61.69 60.00 1xhs s THR 83 Cb -0.12 -3.48 0.42 0.00 1.34 0.00 0.00 72.50 70.65 1xhs s THR 83 CO 0.20 -0.27 2.29 -0.65 -0.54 0.00 0.00 174.62 175.65 1xhs h PRO 84 N 1.25 0.00 -0.01 3.99 0.11 -2.00 -0.67 132.00 134.66 1xhs h PRO 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xhs h PRO 84 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xhs h PRO 84 CO 0.59 0.01 -0.24 0.66 -0.21 0.00 0.00 178.00 178.81 1xhs n TYR 85 N -3.23 0.00 0.00 0.65 4.01 -1.26 -5.02 117.16 112.31 1xhs n TYR 85 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xhs n TYR 85 Cb 0.11 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1xhs n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xhs n GLY 86 N 1.33 3.01 3.67 2.72 0.00 -0.26 -5.03 105.19 110.62 1xhs n GLY 86 Ca 0.13 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1xhs n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xhs s SER 87 N 0.00 6.67 0.07 1.61 1.04 -1.26 -2.14 113.70 119.68 1xhs s SER 87 Ca 0.00 2.27 0.08 0.00 0.48 0.00 0.00 55.95 58.78 1xhs s SER 87 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1xhs s SER 87 CO 0.00 -0.90 -0.20 0.00 0.98 0.00 0.00 173.24 173.12 1xhs s ALA 88 N 3.64 2.55 -0.22 5.32 0.00 0.55 -4.43 121.76 129.16 1xhs s ALA 88 Ca 0.73 -1.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1xhs s ALA 88 Cb -0.34 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1xhs s ALA 88 CO 0.30 0.57 0.78 -1.58 0.00 0.00 0.00 175.76 175.83 1xhs s TRP 89 N -0.97 3.34 0.12 0.00 0.52 -1.02 -0.09 118.94 120.85 1xhs s TRP 89 Ca 0.15 1.10 0.04 0.00 0.02 0.00 0.00 56.10 57.41 1xhs s TRP 89 Cb -0.10 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.19 1xhs s TRP 89 CO 0.06 -0.32 0.10 1.41 0.02 0.00 0.00 176.95 178.22 1xhs s MET 90 N 2.50 2.87 -0.17 4.98 1.75 0.14 -2.03 119.30 129.34 1xhs s MET 90 Ca 0.34 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 54.02 1xhs s MET 90 Cb -0.16 -2.68 0.02 0.00 2.84 0.00 0.00 34.83 34.85 1xhs s MET 90 CO 0.09 0.53 -0.20 0.71 -0.65 0.00 0.00 175.02 175.50 1xhs s TYR 91 N -1.54 2.72 -0.20 4.11 1.51 -1.26 0.35 117.35 123.04 1xhs s TYR 91 Ca 0.30 -1.57 -0.05 0.00 -1.01 0.00 0.00 57.07 54.73 1xhs s TYR 91 Cb -0.11 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1xhs s TYR 91 CO 0.22 -0.77 0.01 0.08 -1.11 0.00 0.00 175.55 173.99 1xhs s VAL 92 N 1.23 4.05 -0.02 0.71 1.01 -1.02 -3.31 120.40 123.04 1xhs s VAL 92 Ca 0.03 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1xhs s VAL 92 Cb -0.13 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1xhs s VAL 92 CO -0.11 0.42 1.89 -0.47 0.00 0.00 0.00 175.10 176.83 1xhs s TYR 93 N 1.03 1.49 -0.04 5.22 5.04 -1.16 -1.64 117.35 127.28 1xhs s TYR 93 Ca 0.02 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 1xhs s TYR 93 Cb -0.14 -4.12 -0.25 0.00 0.35 0.00 0.00 41.96 37.80 1xhs s TYR 93 CO 0.02 -4.87 0.67 0.37 -1.34 0.00 0.00 175.55 170.41 1xhs h GLN 94 N 10.76 0.13 -7.23 4.97 5.75 -1.81 -3.48 115.11 124.21 1xhs h GLN 94 Ca -0.45 -0.21 -0.50 0.00 -0.15 0.00 0.00 58.65 57.34 1xhs h GLN 94 Cb 1.22 0.08 0.06 0.00 1.07 0.00 0.00 27.48 29.90 1xhs h GLN 94 CO 0.95 0.85 0.29 1.03 -2.65 0.00 0.00 178.83 179.30 1xhs s ARG 95 N -2.60 3.32 0.21 1.69 0.52 -1.26 -4.99 118.95 115.85 1xhs s ARG 95 Ca -0.10 0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 55.21 1xhs s ARG 95 Cb 0.07 -2.18 -0.14 0.00 0.52 0.00 0.00 34.95 33.23 1xhs s ARG 95 CO 0.82 -0.59 1.44 -2.30 0.02 0.00 0.00 175.30 174.69 1xhs n PRO 96 N -2.64 1.99 -1.58 3.54 -0.02 -1.26 -4.84 135.00 130.19 1xhs n PRO 96 Ca 0.04 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1xhs n PRO 96 Cb 0.56 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1xhs n PRO 96 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xhs n VAL 97 N 2.27 3.06 0.00 -1.45 0.24 -1.26 -4.80 118.33 116.39 1xhs n VAL 97 Ca 0.13 -2.65 0.00 0.00 -2.04 0.00 0.00 64.34 59.78 1xhs n VAL 97 Cb 0.30 -2.54 0.00 0.00 -1.47 0.00 0.00 33.84 30.13 1xhs n VAL 97 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xhs n ASP 98 N 6.40 0.00 -3.16 -1.34 -0.08 -1.26 -4.04 116.55 113.07 1xhs n ASP 98 Ca 0.52 0.96 -0.20 0.00 -1.51 0.00 0.00 54.79 54.56 1xhs n ASP 98 Cb 0.39 -0.46 -0.03 0.00 2.34 0.00 0.00 41.12 43.35 1xhs n ASP 98 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xhs n GLY 99 N -0.99 3.85 3.65 0.27 0.00 -1.26 -5.10 105.19 105.60 1xhs n GLY 99 Ca 0.00 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 1xhs n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhs s LEU 100 N -2.49 3.25 -0.33 0.99 1.43 -1.26 -5.01 118.68 115.27 1xhs s LEU 100 Ca 0.41 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 1xhs s LEU 100 Cb 0.33 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1xhs s LEU 100 CO -0.09 0.07 0.30 -0.54 0.23 0.00 0.00 176.35 176.32 1xhs s LYS 101 N -3.09 3.61 -0.15 1.70 1.02 -1.04 -4.95 119.74 116.84 1xhs s LYS 101 Ca 0.28 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.62 1xhs s LYS 101 Cb -0.09 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1xhs s LYS 101 CO 0.18 -0.44 0.55 -1.17 -0.92 0.00 0.00 175.35 173.56 1xhs s LEU 102 N 1.88 4.22 -0.63 3.17 2.96 -1.26 0.56 118.68 129.58 1xhs s LEU 102 Ca 0.09 0.84 -0.18 0.00 -0.22 0.00 0.00 54.13 54.66 1xhs s LEU 102 Cb -0.17 -2.80 0.11 0.00 0.50 0.00 0.00 46.19 43.84 1xhs s LEU 102 CO 0.11 -0.12 0.73 -0.63 -1.32 0.00 0.00 176.35 175.12 1xhs s ILE 103 N 1.18 4.89 -0.54 6.68 1.01 0.26 -4.91 121.20 129.77 1xhs s ILE 103 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1xhs s ILE 103 Cb -0.16 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.81 1xhs s ILE 103 CO 0.11 -1.14 0.25 -1.84 0.00 0.00 0.00 174.94 172.32 1xhs n GLU 104 N 6.14 0.34 -0.36 2.79 -0.00 -1.26 -1.87 120.64 126.42 1xhs n GLU 104 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 1xhs n GLU 104 Cb 0.43 -1.24 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1xhs n GLU 104 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1xhs n SER 105 N 0.56 0.00 -3.93 -1.84 7.64 -1.26 -4.58 113.62 110.21 1xhs n SER 105 Ca 0.00 -0.95 -0.26 0.00 1.01 0.00 0.00 58.87 58.67 1xhs n SER 105 Cb 0.12 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1xhs n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xhs n GLY 106 N 0.00 -0.15 2.90 0.23 0.00 -0.78 -4.53 105.19 102.87 1xhs n GLY 106 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1xhs n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhs s ASP 107 N -4.06 0.75 0.00 1.61 -1.08 -1.26 -1.89 116.67 110.74 1xhs s ASP 107 Ca 0.04 -0.10 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 1xhs s ASP 107 Cb -0.02 -0.29 0.09 0.00 -1.46 0.00 0.00 42.92 41.23 1xhs s ASP 107 CO 0.78 -0.02 1.13 -2.67 0.52 0.00 0.00 175.17 174.91 1xhs n TRP 108 N 3.71 0.00 -0.80 -5.34 2.14 -1.26 -4.07 117.44 111.82 1xhs n TRP 108 Ca -0.22 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.43 1xhs n TRP 108 Cb 0.53 -0.06 0.29 0.00 -0.81 0.00 0.00 31.31 31.25 1xhs n TRP 108 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1xhs n LEU 109 N -1.02 4.24 -3.58 5.67 4.77 -1.26 -4.82 117.00 121.00 1xhs n LEU 109 Ca 0.07 -2.77 -0.41 0.00 -0.03 0.00 0.00 56.01 52.87 1xhs n LEU 109 Cb 0.37 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1xhs n LEU 109 CO 0.36 0.69 2.26 -0.67 -1.33 0.00 0.00 177.39 178.70 1xhs n ASP 110 N 0.10 3.13 0.00 -1.43 2.03 -1.26 -4.18 116.55 114.94 1xhs n ASP 110 Ca 0.22 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1xhs n ASP 110 Cb 0.89 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1xhs n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1xhs n ARG 111 N 6.46 0.00 -2.50 -0.67 1.85 -1.26 -5.05 116.66 115.49 1xhs n ARG 111 Ca 0.50 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 57.17 1xhs n ARG 111 Cb 0.37 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.77 1xhs n ARG 111 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1xhs n ASP 112 N 0.00 -5.22 -0.14 2.89 2.03 -1.26 -5.26 116.55 109.59 1xhs n ASP 112 Ca 0.00 0.02 0.15 0.00 0.52 0.00 0.00 54.79 55.48 1xhs n ASP 112 Cb 0.00 -4.35 0.82 0.00 -0.72 0.00 0.00 41.12 36.87 1xhs n ASP 112 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45