#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 4.32 0.02 2.12 0.52 -1.26 -2.08 118.95 122.58 1xhs s ARG 2 Ca 0.00 0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 1xhs s ARG 2 Cb 0.00 -3.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1xhs s ARG 2 CO 0.00 0.52 0.05 -1.50 0.02 0.00 0.00 175.30 174.39 1xhs s ILE 3 N -0.76 0.11 -0.15 1.52 2.07 -0.97 -1.40 121.20 121.62 1xhs s ILE 3 Ca 0.31 -0.91 -0.19 0.00 -1.41 0.00 0.00 60.65 58.46 1xhs s ILE 3 Cb -0.20 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 1xhs s ILE 3 CO 0.20 -0.50 0.52 0.12 -1.91 0.00 0.00 174.94 173.37 1xhs s PHE 4 N -1.74 3.46 -0.50 3.50 5.36 -1.06 -2.60 117.98 124.40 1xhs s PHE 4 Ca -0.13 0.88 -0.20 0.00 -0.96 0.00 0.00 56.93 56.52 1xhs s PHE 4 Cb -0.07 -2.63 0.05 0.00 -0.34 0.00 0.00 43.02 40.03 1xhs s PHE 4 CO -0.01 0.04 0.68 0.08 -1.46 0.00 0.00 175.22 174.56 1xhs s VAL 5 N 1.08 4.78 -0.18 3.12 1.01 0.27 -4.86 120.40 125.62 1xhs s VAL 5 Ca 0.26 -0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.17 1xhs s VAL 5 Cb -0.15 -4.32 0.54 0.00 0.00 0.00 0.00 36.38 32.44 1xhs s VAL 5 CO 0.11 -0.82 1.43 0.00 0.00 0.00 0.00 175.10 175.82 1xhs n TYR 6 N 6.42 0.99 -3.16 5.22 4.11 -1.26 -2.46 117.16 127.03 1xhs n TYR 6 Ca -0.04 -0.88 -0.31 0.00 -0.00 0.00 0.00 57.90 56.67 1xhs n TYR 6 Cb 0.46 -0.33 -0.05 0.00 -0.00 0.00 0.00 39.34 39.43 1xhs n TYR 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xhs n GLY 7 N -0.48 5.22 1.46 -7.48 0.00 -1.26 -4.92 105.19 97.72 1xhs n GLY 7 Ca 0.22 -2.75 0.03 0.00 0.00 0.00 0.00 46.02 43.52 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 0.53 -7.88 0.28 1.61 3.41 -1.26 -3.40 113.62 106.91 1xhs n SER 8 Ca 0.31 1.70 0.17 0.00 -0.26 0.00 0.00 58.87 60.79 1xhs n SER 8 Cb 0.38 -4.74 0.76 0.00 -0.26 0.00 0.00 64.21 60.35 1xhs n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xhs h LEU 9 N -0.15 0.00 -1.64 1.04 -0.00 -1.90 -1.41 115.31 111.25 1xhs h LEU 9 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1xhs h LEU 9 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1xhs h LEU 9 CO 0.01 0.03 0.00 0.03 -0.00 0.00 0.00 178.44 178.52 1xhs h ARG 10 N 0.00 0.00 0.00 1.13 3.08 -2.01 -3.48 114.38 113.10 1xhs h ARG 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xhs h ARG 10 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1xhs h ARG 10 CO 0.00 0.00 0.00 -2.39 -1.07 0.00 0.00 179.97 176.51 1xhs n HIS 11 N -3.01 -0.18 -3.77 3.04 1.44 -0.53 -4.85 115.22 107.36 1xhs n HIS 11 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1xhs n HIS 11 Cb 0.26 0.04 -0.11 0.00 0.12 0.00 0.00 29.99 30.29 1xhs n HIS 11 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1xhs s LYS 12 N 0.00 0.32 0.31 -1.40 2.47 -1.26 -4.97 119.74 115.21 1xhs s LYS 12 Ca 0.00 0.40 0.26 0.00 -1.56 0.00 0.00 55.97 55.07 1xhs s LYS 12 Cb 0.00 0.14 0.85 0.00 -1.46 0.00 0.00 37.83 37.35 1xhs s LYS 12 CO 0.00 -0.05 1.76 1.96 0.16 0.00 0.00 175.35 179.18 1xhs h GLN 13 N 5.83 0.00 0.00 4.03 7.50 -1.89 -3.45 115.11 127.13 1xhs h GLN 13 Ca -0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.88 1xhs h GLN 13 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 1xhs h GLN 13 CO 0.34 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.08 1xhs n GLY 14 N 0.74 1.00 0.00 3.46 0.00 -1.26 -2.58 105.19 106.55 1xhs n GLY 14 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 6.71 3.76 0.00 1.61 6.94 -1.26 -5.04 115.26 127.98 1xhs n ASN 15 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1xhs n ASN 15 Cb 0.00 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1xhs n ASN 15 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1xhs n SER 16 N -2.25 -0.04 -0.34 0.53 3.41 -1.07 -5.00 113.62 108.87 1xhs n SER 16 Ca 0.00 0.06 0.20 0.00 -0.26 0.00 0.00 58.87 58.88 1xhs n SER 16 Cb 0.44 0.12 0.43 0.00 -0.26 0.00 0.00 64.21 64.94 1xhs n SER 16 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xhs h HIS 17 N 0.00 0.96 0.00 7.33 3.86 -1.97 -1.20 115.15 124.13 1xhs h HIS 17 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xhs h HIS 17 Cb 0.00 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1xhs h HIS 17 CO 0.00 -0.03 0.00 0.91 0.86 0.00 0.00 177.93 179.67 1xhs n TRP 18 N -4.94 0.00 -0.24 2.45 7.02 -1.20 -1.89 117.44 118.64 1xhs n TRP 18 Ca 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1xhs n TRP 18 Cb 0.85 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.74 1xhs n TRP 18 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xhs n MET 19 N -0.79 1.39 -0.03 -0.99 0.00 -0.48 -4.64 117.12 111.58 1xhs n MET 19 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 57.70 57.65 1xhs n MET 19 Cb 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 33.22 32.70 1xhs n MET 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1xhs n THR 20 N -0.25 0.52 1.48 3.17 -1.04 -0.79 -4.60 114.28 112.77 1xhs n THR 20 Ca 0.00 0.38 0.14 0.00 -2.04 0.00 0.00 64.05 62.53 1xhs n THR 20 Cb 0.06 -1.80 0.51 0.00 -1.82 0.00 0.00 70.33 67.27 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 -3.16 1.54 -4.60 8.00 0.23 -1.00 -4.84 115.26 111.43 1xhs n ASN 21 Ca -0.04 -1.50 -0.43 0.00 -0.53 0.00 0.00 54.58 52.07 1xhs n ASN 21 Cb 0.15 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.83 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 -2.01 2.94 -0.29 -2.53 0.00 -1.24 -4.35 121.76 114.28 1xhs s ALA 22 Ca 0.37 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1xhs s ALA 22 Cb 0.21 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1xhs s ALA 22 CO 0.34 -2.52 0.19 -1.14 0.00 0.00 0.00 175.76 172.63 1xhs s GLN 23 N 5.41 3.81 -0.53 0.00 0.74 -0.25 -4.93 119.66 123.92 1xhs s GLN 23 Ca 0.75 -0.41 -0.27 0.00 0.05 0.00 0.00 55.36 55.47 1xhs s GLN 23 Cb -0.20 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.24 1xhs s GLN 23 CO 0.33 -0.24 1.69 -1.17 -0.55 0.00 0.00 175.29 175.35 1xhs s LEU 24 N 1.74 3.38 0.05 3.68 2.96 -1.26 -1.14 118.68 128.08 1xhs s LEU 24 Ca 0.07 0.55 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 1xhs s LEU 24 Cb -0.16 -2.95 -0.17 0.00 0.50 0.00 0.00 46.19 43.41 1xhs s LEU 24 CO 0.10 -1.98 1.26 -0.07 -1.32 0.00 0.00 176.35 174.34 1xhs h LEU 25 N 14.59 0.62 0.00 -0.68 3.38 -1.85 -3.49 115.31 127.89 1xhs h LEU 25 Ca -0.28 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1xhs h LEU 25 Cb 1.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xhs h LEU 25 CO 1.16 1.13 0.00 0.61 0.09 0.00 0.00 178.44 181.43 1xhs n GLY 26 N 0.62 2.28 3.79 0.83 0.00 -1.19 -5.05 105.19 106.47 1xhs n GLY 26 Ca -0.07 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 7.12 -0.29 1.61 -4.77 -1.26 -1.74 116.67 117.34 1xhs s ASP 27 Ca 0.00 1.85 0.02 0.00 -3.30 0.00 0.00 52.55 51.12 1xhs s ASP 27 Cb 0.00 -2.57 0.17 0.00 -1.09 0.00 0.00 42.92 39.43 1xhs s ASP 27 CO 0.00 -0.23 0.45 0.12 0.70 0.00 0.00 175.17 176.22 1xhs s PHE 28 N -1.75 -1.20 -0.04 2.11 5.36 -0.77 -4.86 117.98 116.82 1xhs s PHE 28 Ca 0.54 0.61 -0.21 0.00 -0.96 0.00 0.00 56.93 56.92 1xhs s PHE 28 Cb -0.17 0.00 -0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1xhs s PHE 28 CO 0.22 -0.97 0.59 -1.12 -1.46 0.00 0.00 175.22 172.48 1xhs s SER 29 N 2.62 6.92 -0.16 6.13 0.01 -1.26 -3.68 113.70 124.28 1xhs s SER 29 Ca 0.11 1.10 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 1xhs s SER 29 Cb -0.12 -2.36 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1xhs s SER 29 CO -0.27 0.04 -0.10 0.27 0.41 0.00 0.00 173.24 173.59 1xhs s ILE 30 N 0.17 3.18 0.60 1.44 -4.36 -0.15 -4.84 121.20 117.24 1xhs s ILE 30 Ca 0.31 -0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 60.05 1xhs s ILE 30 Cb -0.17 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.17 1xhs s ILE 30 CO 0.16 0.49 0.91 -0.62 0.24 0.00 0.00 174.94 176.12 1xhs s ASP 31 N 0.75 5.53 -0.99 4.36 -1.08 -1.26 0.32 116.67 124.29 1xhs s ASP 31 Ca -0.04 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.68 1xhs s ASP 31 Cb -0.15 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1xhs s ASP 31 CO 0.02 -1.11 0.00 0.59 0.52 0.00 0.00 175.17 175.19 1xhs n ASN 32 N -2.61 -3.75 -4.07 -0.34 5.03 0.12 -4.88 115.26 104.76 1xhs n ASN 32 Ca 0.05 0.05 -0.14 0.00 0.87 0.00 0.00 54.58 55.41 1xhs n ASN 32 Cb 0.58 -2.84 -0.11 0.00 -1.02 0.00 0.00 39.78 36.38 1xhs n ASN 32 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1xhs s TYR 33 N -2.52 0.73 0.11 3.10 2.02 -0.58 0.59 117.35 120.79 1xhs s TYR 33 Ca 0.00 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1xhs s TYR 33 Cb 0.00 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.09 1xhs s TYR 33 CO 0.00 -0.07 -0.17 -0.65 -1.57 0.00 0.00 175.55 173.10 1xhs s GLN 34 N -1.59 1.05 -0.13 -0.62 -0.21 0.06 -2.72 119.66 115.51 1xhs s GLN 34 Ca -0.09 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.09 1xhs s GLN 34 Cb -0.10 -1.09 -0.02 0.00 1.00 0.00 0.00 33.01 32.80 1xhs s GLN 34 CO 0.01 0.23 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.16 1xhs s LEU 35 N -2.19 3.02 0.09 2.90 2.96 -1.08 -1.95 118.68 122.42 1xhs s LEU 35 Ca 0.07 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1xhs s LEU 35 Cb -0.07 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1xhs s LEU 35 CO 0.04 0.20 0.20 -0.31 -1.32 0.00 0.00 176.35 175.17 1xhs s TYR 36 N 0.14 3.45 -0.27 5.38 2.02 0.31 0.44 117.35 128.82 1xhs s TYR 36 Ca -0.04 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 1xhs s TYR 36 Cb -0.14 -1.71 0.07 0.00 -0.40 0.00 0.00 41.96 39.78 1xhs s TYR 36 CO 0.04 0.56 -0.05 -1.54 -1.57 0.00 0.00 175.55 172.99 1xhs s SER 37 N -2.68 4.24 -0.19 2.29 1.04 0.21 -0.93 113.70 117.69 1xhs s SER 37 Ca 0.34 -1.46 0.15 0.00 0.48 0.00 0.00 55.95 55.47 1xhs s SER 37 Cb -0.12 -1.38 0.72 0.00 0.10 0.00 0.00 66.02 65.34 1xhs s SER 37 CO 0.27 -0.25 1.64 0.00 0.98 0.00 0.00 173.24 175.88 1xhs n LEU 38 N 4.52 5.06 0.00 2.42 -0.00 -1.20 -2.59 117.00 125.20 1xhs n LEU 38 Ca -0.09 -2.81 0.00 0.00 -0.00 0.00 0.00 56.01 53.10 1xhs n LEU 38 Cb 0.43 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 1xhs n LEU 38 CO 0.19 0.69 0.00 0.61 -0.00 0.00 0.00 177.39 178.88 1xhs n GLY 39 N 0.50 3.07 0.00 1.47 0.00 -1.26 -4.86 105.19 104.11 1xhs n GLY 39 Ca 0.26 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -2.34 1.61 8.25 -1.26 -5.06 115.22 116.42 1xhs n HIS 40 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1xhs n HIS 40 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 3.57 0.56 4.41 -0.85 -1.26 -5.10 117.35 118.68 1xhs s TYR 41 Ca 0.00 1.10 0.01 0.00 -0.52 0.00 0.00 57.07 57.66 1xhs s TYR 41 Cb 0.00 -2.53 0.04 0.00 0.38 0.00 0.00 41.96 39.85 1xhs s TYR 41 CO 0.00 -0.42 0.79 -1.25 -1.52 0.00 0.00 175.55 173.14 1xhs s PRO 42 N -4.72 2.46 0.03 -3.49 0.04 -1.26 -3.27 135.00 124.79 1xhs s PRO 42 Ca 0.52 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1xhs s PRO 42 Cb -0.11 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1xhs s PRO 42 CO 0.45 -0.77 -0.04 0.20 0.04 0.00 0.00 177.00 176.88 1xhs s GLY 43 N -4.46 0.34 0.00 0.56 0.00 -0.11 -4.95 107.32 98.71 1xhs s GLY 43 Ca 0.58 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.54 1xhs s GLY 43 CO 0.39 -0.85 -0.02 0.00 0.00 0.00 0.00 173.10 172.61 1xhs s ALA 44 N -2.05 0.19 0.16 3.20 0.00 -1.25 0.11 121.76 122.11 1xhs s ALA 44 Ca -0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1xhs s ALA 44 Cb -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1xhs s ALA 44 CO -0.03 0.02 0.35 0.14 0.00 0.00 0.00 175.76 176.24 1xhs s VAL 45 N -0.24 0.07 0.19 0.00 -7.23 -0.82 -3.96 120.40 108.40 1xhs s VAL 45 Ca -0.01 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 1xhs s VAL 45 Cb -0.02 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 1xhs s VAL 45 CO -0.00 -0.30 1.48 -2.84 -0.31 0.00 0.00 175.10 173.13 1xhs s PRO 46 N -3.91 4.26 0.00 4.82 0.02 -1.26 -0.76 135.00 138.17 1xhs s PRO 46 Ca 0.12 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1xhs s PRO 46 Cb 0.02 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1xhs s PRO 46 CO -0.03 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 1xhs n GLY 47 N 3.05 1.11 2.47 0.52 0.00 0.20 -4.77 105.19 107.77 1xhs n GLY 47 Ca 0.10 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1xhs n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xhs s ASN 48 N 2.00 3.00 0.00 1.61 -0.87 -1.26 -4.14 114.94 115.28 1xhs s ASN 48 Ca 0.00 -2.17 0.00 0.00 -1.57 0.00 0.00 52.86 49.12 1xhs s ASN 48 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 1xhs s ASN 48 CO 0.00 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.83 1xhs n GLY 49 N 4.06 0.43 3.23 0.66 0.00 -1.10 -4.81 105.19 107.66 1xhs n GLY 49 Ca 0.11 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1xhs n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xhs s THR 50 N -2.00 3.75 -0.58 2.61 2.01 -0.78 0.14 115.64 120.79 1xhs s THR 50 Ca 0.00 -1.45 -0.26 0.00 0.31 0.00 0.00 61.69 60.28 1xhs s THR 50 Cb 0.00 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.27 1xhs s THR 50 CO 0.00 -0.40 1.10 -0.69 -0.69 0.00 0.00 174.62 173.94 1xhs s VAL 51 N 1.34 4.15 -1.49 3.82 1.01 0.15 -3.78 120.40 125.60 1xhs s VAL 51 Ca 0.02 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1xhs s VAL 51 Cb -0.22 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 1xhs s VAL 51 CO 0.01 -1.28 2.53 1.57 0.00 0.00 0.00 175.10 177.92 1xhs n HIS 52 N 8.10 2.91 -3.02 5.22 -0.00 -0.86 -0.98 115.22 126.60 1xhs n HIS 52 Ca 0.05 -2.95 -0.07 0.00 0.46 0.00 0.00 57.72 55.21 1xhs n HIS 52 Cb 0.48 -2.47 0.03 0.00 -0.12 0.00 0.00 29.99 27.91 1xhs n HIS 52 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xhs n GLY 53 N 3.88 1.94 3.02 1.57 0.00 -1.24 -4.84 105.19 109.52 1xhs n GLY 53 Ca 0.63 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 1xhs n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xhs s GLU 54 N -2.98 0.68 -0.16 1.61 2.12 -1.03 -1.85 118.70 117.09 1xhs s GLU 54 Ca 0.23 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.16 1xhs s GLU 54 Cb -0.02 -0.65 -0.03 0.00 0.26 0.00 0.00 34.13 33.69 1xhs s GLU 54 CO 0.14 0.17 0.00 0.08 -0.54 0.00 0.00 175.26 175.12 1xhs s VAL 55 N -0.30 4.28 0.11 3.70 1.01 -0.71 -0.56 120.40 127.92 1xhs s VAL 55 Ca 0.02 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1xhs s VAL 55 Cb -0.04 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1xhs s VAL 55 CO -0.00 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 1xhs s TYR 56 N 0.28 1.83 -0.40 5.22 1.51 -1.07 -2.49 117.35 122.23 1xhs s TYR 56 Ca -0.00 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1xhs s TYR 56 Cb -0.13 -0.99 0.07 0.00 -0.11 0.00 0.00 41.96 40.80 1xhs s TYR 56 CO 0.02 0.23 0.22 0.50 -1.11 0.00 0.00 175.55 175.41 1xhs s ARG 57 N -2.04 2.54 0.31 -0.62 3.52 -0.30 -2.29 118.95 120.08 1xhs s ARG 57 Ca 0.08 -1.43 0.08 0.00 -0.13 0.00 0.00 55.73 54.33 1xhs s ARG 57 Cb -0.09 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1xhs s ARG 57 CO 0.05 -0.90 0.12 0.96 -0.81 0.00 0.00 175.30 174.71 1xhs s ILE 58 N 1.39 3.36 0.51 4.11 -5.25 -0.88 -1.09 121.20 123.35 1xhs s ILE 58 Ca 0.02 -1.70 -0.21 0.00 -0.99 0.00 0.00 60.65 57.77 1xhs s ILE 58 Cb -0.22 -3.01 -0.08 0.00 2.95 0.00 0.00 42.46 42.10 1xhs s ILE 58 CO 0.02 -0.26 0.90 -0.67 -1.79 0.00 0.00 174.94 173.14 1xhs n ASP 59 N -1.09 0.65 -0.20 4.36 2.03 -1.26 0.12 116.55 121.15 1xhs n ASP 59 Ca -0.05 0.89 -0.09 0.00 0.52 0.00 0.00 54.79 56.07 1xhs n ASP 59 Cb 0.60 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.69 1xhs n ASP 59 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1xhs h ASN 60 N 0.91 0.88 -0.27 1.67 7.08 -1.99 -1.22 115.58 122.64 1xhs h ASN 60 Ca -0.46 -0.24 -0.11 0.00 -3.08 0.00 0.00 56.30 52.41 1xhs h ASN 60 Cb 1.36 -0.23 -0.02 0.00 -2.08 0.00 0.00 38.32 37.35 1xhs h ASN 60 CO 0.53 0.90 -0.19 0.00 -2.08 0.00 0.00 177.43 176.58 1xhs h ALA 61 N 1.01 0.94 -0.34 4.14 0.00 -1.99 -1.21 119.26 121.81 1xhs h ALA 61 Ca 0.18 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xhs h ALA 61 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xhs h ALA 61 CO 0.01 0.61 0.24 1.15 0.00 0.00 0.00 179.25 181.26 1xhs h THR 62 N 0.65 0.85 -0.03 0.00 2.02 -1.86 -1.33 112.91 113.22 1xhs h THR 62 Ca 0.10 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1xhs h THR 62 Cb 0.68 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1xhs h THR 62 CO 0.05 0.01 -0.00 0.25 0.37 0.00 0.00 175.52 176.20 1xhs h LEU 63 N 0.04 0.05 -2.03 2.58 5.85 -0.65 -1.68 115.31 119.46 1xhs h LEU 63 Ca 0.16 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1xhs h LEU 63 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1xhs h LEU 63 CO -0.01 0.36 0.12 0.00 -0.34 0.00 0.00 178.44 178.57 1xhs h ALA 64 N 0.69 2.12 -0.13 1.25 0.00 -1.14 0.59 119.26 122.64 1xhs h ALA 64 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xhs h ALA 64 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xhs h ALA 64 CO 0.00 -0.21 -0.06 1.49 0.00 0.00 0.00 179.25 180.48 1xhs h GLU 65 N 0.00 0.28 -0.22 0.00 4.81 -0.80 -1.30 114.58 117.34 1xhs h GLU 65 Ca 0.08 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1xhs h GLU 65 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xhs h GLU 65 CO -0.00 0.60 0.08 1.25 -0.73 0.00 0.00 179.01 180.21 1xhs h LEU 66 N -0.06 0.32 -0.14 1.64 6.46 -0.38 -2.24 115.31 120.91 1xhs h LEU 66 Ca 0.03 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1xhs h LEU 66 Cb 0.52 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1xhs h LEU 66 CO 0.02 0.43 0.08 -0.78 -0.62 0.00 0.00 178.44 177.56 1xhs h ASP 67 N 0.20 0.18 0.19 1.25 3.58 -0.94 0.35 116.42 121.23 1xhs h ASP 67 Ca 0.07 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1xhs h ASP 67 Cb 0.21 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1xhs h ASP 67 CO -0.00 0.23 -0.12 0.00 -2.88 0.00 0.00 179.24 176.46 1xhs h ALA 68 N 0.97 1.57 0.06 -0.78 0.00 -1.21 -1.03 119.26 118.84 1xhs h ALA 68 Ca 0.05 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1xhs h ALA 68 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xhs h ALA 68 CO -0.01 0.15 -1.47 -0.07 0.00 0.00 0.00 179.25 177.86 1xhs h LEU 69 N 0.00 0.20 0.00 0.00 3.38 -0.96 -3.32 115.31 114.62 1xhs h LEU 69 Ca -0.00 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1xhs h LEU 69 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xhs h LEU 69 CO 0.02 1.24 -0.63 -0.09 0.09 0.00 0.00 178.44 179.07 1xhs h ARG 70 N 0.03 0.00 -0.15 1.13 2.43 -0.35 -3.40 114.38 114.08 1xhs h ARG 70 Ca -0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1xhs h ARG 70 Cb 1.96 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.48 1xhs h ARG 70 CO 0.13 0.79 -0.15 -2.37 -1.51 0.00 0.00 179.97 176.87 1xhs n THR 71 N -4.55 2.23 -1.64 0.20 5.66 -0.44 -4.78 114.28 110.96 1xhs n THR 71 Ca -0.19 -2.57 -0.37 0.00 -3.05 0.00 0.00 64.05 57.87 1xhs n THR 71 Cb 0.50 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.99 1xhs n THR 71 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1xhs s ARG 72 N -3.06 2.29 0.00 1.09 3.52 -1.25 -0.48 118.95 121.06 1xhs s ARG 72 Ca 0.39 1.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1xhs s ARG 72 Cb 0.35 -4.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 1xhs s ARG 72 CO 0.01 -3.07 0.00 0.41 -0.81 0.00 0.00 175.30 171.83 1xhs n GLY 73 N 5.93 1.65 0.00 8.12 0.00 -1.26 -4.87 105.19 114.76 1xhs n GLY 73 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 0.74 0.45 -0.02 0.00 0.37 -5.09 105.19 101.64 1xhs n GLY 74 Ca 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1xhs n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xhs n GLU 75 N 0.00 0.26 -4.42 1.61 4.07 -1.25 -5.06 120.64 115.86 1xhs n GLU 75 Ca 0.00 0.10 -0.21 0.00 -0.06 0.00 0.00 57.16 56.99 1xhs n GLU 75 Cb 0.00 -1.02 -0.10 0.00 -0.06 0.00 0.00 31.44 30.26 1xhs n GLU 75 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1xhs s TYR 76 N -2.22 1.76 0.13 4.31 2.02 -1.26 -3.89 117.35 118.19 1xhs s TYR 76 Ca -0.16 -1.16 0.06 0.00 -0.37 0.00 0.00 57.07 55.44 1xhs s TYR 76 Cb 0.06 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1xhs s TYR 76 CO 0.23 -0.24 -0.02 0.00 -1.57 0.00 0.00 175.55 173.95 1xhs s ALA 77 N -3.44 3.20 -0.40 3.71 0.00 -0.97 -4.94 121.76 118.92 1xhs s ALA 77 Ca 0.33 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 1xhs s ALA 77 Cb 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1xhs s ALA 77 CO 0.15 0.60 0.59 1.03 0.00 0.00 0.00 175.76 178.14 1xhs s ARG 78 N -2.54 3.41 -0.45 0.00 0.52 -1.26 -1.58 118.95 117.05 1xhs s ARG 78 Ca 0.26 -0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1xhs s ARG 78 Cb -0.11 -3.90 0.09 0.00 0.52 0.00 0.00 34.95 31.55 1xhs s ARG 78 CO 0.18 -0.86 0.33 -1.14 0.02 0.00 0.00 175.30 173.82 1xhs s GLN 79 N 2.64 2.73 -0.33 3.54 0.74 0.23 -4.94 119.66 124.27 1xhs s GLN 79 Ca 0.21 -1.49 -0.28 0.00 0.05 0.00 0.00 55.36 53.85 1xhs s GLN 79 Cb -0.15 -3.94 0.02 0.00 1.10 0.00 0.00 33.01 30.03 1xhs s GLN 79 CO 0.16 -1.04 1.03 -1.17 -0.55 0.00 0.00 175.29 173.73 1xhs s LEU 80 N 1.49 3.94 -0.11 3.68 2.96 -1.26 0.22 118.68 129.60 1xhs s LEU 80 Ca 0.04 0.93 -0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1xhs s LEU 80 Cb -0.24 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1xhs s LEU 80 CO 0.03 -0.87 -0.06 0.27 -1.32 0.00 0.00 176.35 174.40 1xhs s ILE 81 N 3.61 3.75 -0.64 6.68 -4.36 0.33 -4.93 121.20 125.63 1xhs s ILE 81 Ca 0.43 -0.44 -0.23 0.00 -0.26 0.00 0.00 60.65 60.16 1xhs s ILE 81 Cb -0.12 -2.58 0.06 0.00 1.25 0.00 0.00 42.46 41.07 1xhs s ILE 81 CO 0.16 0.55 0.98 -1.58 0.24 0.00 0.00 174.94 175.29 1xhs s GLN 82 N -0.23 3.17 0.29 0.37 -0.44 -1.26 0.26 119.66 121.81 1xhs s GLN 82 Ca 0.03 -0.65 0.03 0.00 -2.50 0.00 0.00 55.36 52.27 1xhs s GLN 82 Cb -0.13 -4.18 -0.03 0.00 -1.64 0.00 0.00 33.01 27.03 1xhs s GLN 82 CO 0.03 -1.76 0.46 0.95 0.50 0.00 0.00 175.29 175.46 1xhs s THR 83 N 4.16 5.18 -0.27 -0.34 -4.23 -0.95 -4.90 115.64 114.30 1xhs s THR 83 Ca 0.25 -0.72 0.22 0.00 -1.18 0.00 0.00 61.69 60.26 1xhs s THR 83 Cb -0.15 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1xhs s THR 83 CO 0.13 -0.44 1.67 -2.65 -0.54 0.00 0.00 174.62 172.78 1xhs n PRO 84 N -1.59 0.15 -0.25 3.99 -0.02 -1.26 -0.48 135.00 135.54 1xhs n PRO 84 Ca -0.07 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1xhs n PRO 84 Cb 0.57 -1.94 0.24 0.00 -0.02 0.00 0.00 33.50 32.35 1xhs n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xhs n TYR 85 N -2.25 0.65 0.00 6.00 4.01 -1.26 -5.04 117.16 119.28 1xhs n TYR 85 Ca -0.01 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1xhs n TYR 85 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.42 3.31 3.70 2.72 0.00 0.37 -5.02 105.19 111.68 1xhs n GLY 86 Ca 0.20 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1xhs n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xhs s SER 87 N 0.00 6.66 0.10 1.61 0.01 -1.26 -2.23 113.70 118.59 1xhs s SER 87 Ca 0.00 2.44 0.10 0.00 1.31 0.00 0.00 55.95 59.80 1xhs s SER 87 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1xhs s SER 87 CO 0.00 -0.82 -0.27 0.00 0.41 0.00 0.00 173.24 172.56 1xhs s ALA 88 N 2.12 2.33 -0.15 1.44 0.00 0.14 -4.33 121.76 123.30 1xhs s ALA 88 Ca 0.71 -1.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1xhs s ALA 88 Cb -0.39 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1xhs s ALA 88 CO 0.31 0.53 0.87 -1.58 0.00 0.00 0.00 175.76 175.90 1xhs s TRP 89 N -0.97 3.44 -0.16 0.00 0.52 -0.49 -0.51 118.94 120.76 1xhs s TRP 89 Ca 0.13 1.34 -0.02 0.00 0.02 0.00 0.00 56.10 57.57 1xhs s TRP 89 Cb -0.10 -3.06 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1xhs s TRP 89 CO 0.05 -0.24 -0.08 1.41 0.02 0.00 0.00 176.95 178.11 1xhs s MET 90 N 2.12 3.48 -0.29 4.98 1.75 0.13 -2.55 119.30 128.92 1xhs s MET 90 Ca 0.41 -0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 54.06 1xhs s MET 90 Cb -0.17 -2.81 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 1xhs s MET 90 CO 0.13 0.13 0.47 0.71 -0.65 0.00 0.00 175.02 175.82 1xhs s TYR 91 N 0.60 3.23 -0.08 4.11 2.02 -1.26 0.74 117.35 126.72 1xhs s TYR 91 Ca -0.05 0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 57.01 1xhs s TYR 91 Cb -0.15 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1xhs s TYR 91 CO 0.03 -0.36 0.15 0.08 -1.57 0.00 0.00 175.55 173.88 1xhs s VAL 92 N 2.27 5.41 -0.04 0.71 1.01 -0.61 -3.93 120.40 125.22 1xhs s VAL 92 Ca 0.18 0.05 -0.38 0.00 0.00 0.00 0.00 61.98 61.83 1xhs s VAL 92 Cb -0.16 -3.42 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 1xhs s VAL 92 CO 0.11 0.51 1.42 0.00 0.00 0.00 0.00 175.10 177.14 1xhs n TYR 93 N 1.61 1.55 -0.29 5.22 0.18 -1.25 -2.29 117.16 121.89 1xhs n TYR 93 Ca -0.17 0.68 0.00 0.00 1.88 0.00 0.00 57.90 60.30 1xhs n TYR 93 Cb 0.54 -2.33 0.00 0.00 -0.38 0.00 0.00 39.34 37.17 1xhs n TYR 93 CO 0.00 0.00 0.00 0.94 -2.08 0.00 0.00 176.86 175.72 1xhs n GLN 94 N 3.16 0.11 -4.16 -3.48 -0.06 -1.25 -4.79 117.38 106.91 1xhs n GLN 94 Ca 0.21 -0.60 -0.16 0.00 -2.00 0.00 0.00 57.00 54.44 1xhs n GLN 94 Cb 0.15 -0.86 -0.15 0.00 -4.06 0.00 0.00 30.24 25.33 1xhs n GLN 94 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1xhs s ARG 95 N -0.20 0.48 -0.02 3.69 0.52 -1.26 -4.97 118.95 117.18 1xhs s ARG 95 Ca 0.00 -0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1xhs s ARG 95 Cb 0.00 -0.48 -0.08 0.00 0.52 0.00 0.00 34.95 34.91 1xhs s ARG 95 CO 0.00 0.08 0.47 -2.30 0.02 0.00 0.00 175.30 173.57 1xhs n PRO 96 N 3.14 0.00 -0.38 3.54 -0.01 -1.26 -4.85 135.00 135.18 1xhs n PRO 96 Ca -0.15 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.39 1xhs n PRO 96 Cb 0.57 -0.63 0.20 0.00 -0.01 0.00 0.00 33.50 33.64 1xhs n PRO 96 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1xhs n VAL 97 N 0.73 1.14 -1.62 -1.45 0.24 -1.26 -4.92 118.33 111.19 1xhs n VAL 97 Ca 0.09 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.34 61.28 1xhs n VAL 97 Cb 0.03 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 1xhs n VAL 97 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xhs s ASP 98 N -0.64 5.50 0.00 -1.34 2.15 -1.26 -1.63 116.67 119.45 1xhs s ASP 98 Ca 0.29 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.17 1xhs s ASP 98 Cb 0.19 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1xhs s ASP 98 CO 0.12 -1.92 0.00 0.61 -0.17 0.00 0.00 175.17 173.81 1xhs n GLY 99 N 5.71 0.86 3.99 2.66 0.00 -1.26 -5.08 105.19 112.07 1xhs n GLY 99 Ca 0.29 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.69 -0.07 0.99 1.43 -0.65 -5.06 118.68 119.02 1xhs s LEU 100 Ca 0.00 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1xhs s LEU 100 Cb 0.00 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1xhs s LEU 100 CO 0.00 -0.72 0.19 -0.54 0.23 0.00 0.00 176.35 175.51 1xhs s LYS 101 N -4.37 3.49 -0.15 1.70 1.02 -1.07 -4.97 119.74 115.39 1xhs s LYS 101 Ca 0.52 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.39 1xhs s LYS 101 Cb -0.10 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1xhs s LYS 101 CO 0.34 0.73 -0.17 -1.17 -0.92 0.00 0.00 175.35 174.16 1xhs s LEU 102 N -1.33 2.39 -0.87 3.17 2.96 -1.26 -0.62 118.68 123.12 1xhs s LEU 102 Ca 0.20 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 1xhs s LEU 102 Cb -0.13 -1.53 0.23 0.00 0.50 0.00 0.00 46.19 45.26 1xhs s LEU 102 CO 0.09 0.09 0.81 -0.63 -1.32 0.00 0.00 176.35 175.39 1xhs s ILE 103 N 0.77 5.48 -0.64 6.68 1.01 0.17 -4.87 121.20 129.80 1xhs s ILE 103 Ca -0.07 -2.75 0.18 0.00 0.00 0.00 0.00 60.65 58.01 1xhs s ILE 103 Cb -0.16 -4.37 0.18 0.00 0.01 0.00 0.00 42.46 38.12 1xhs s ILE 103 CO 0.00 -1.05 1.55 -1.84 0.00 0.00 0.00 174.94 173.61 1xhs n GLU 104 N 3.62 0.11 0.00 2.79 0.00 -1.26 -2.54 120.64 123.36 1xhs n GLU 104 Ca 0.16 0.42 -0.13 0.00 0.00 0.00 0.00 57.16 57.61 1xhs n GLU 104 Cb 0.44 -1.74 -0.10 0.00 0.00 0.00 0.00 31.44 30.05 1xhs n GLU 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1xhs h SER 105 N 0.00 -0.03 0.00 -1.84 0.87 -1.89 -3.38 113.55 107.28 1xhs h SER 105 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1xhs h SER 105 Cb 0.23 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xhs h SER 105 CO 0.00 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 1xhs n GLY 106 N 0.17 1.32 3.76 5.77 0.00 -1.05 -1.87 105.19 113.29 1xhs n GLY 106 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 5.41 0.22 1.61 2.15 -1.25 -2.02 116.67 120.95 1xhs s ASP 107 Ca 0.00 -0.08 0.06 0.00 0.43 0.00 0.00 52.55 52.96 1xhs s ASP 107 Cb 0.00 -1.41 0.20 0.00 -0.30 0.00 0.00 42.92 41.41 1xhs s ASP 107 CO 0.00 0.14 1.52 -0.50 -0.17 0.00 0.00 175.17 176.16 1xhs h TRP 108 N 3.08 0.19 0.00 -5.34 4.06 -1.94 -3.40 115.95 112.60 1xhs h TRP 108 Ca -0.47 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.40 1xhs h TRP 108 Cb 1.17 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1xhs h TRP 108 CO 0.60 0.79 0.00 1.28 -3.56 0.00 0.00 178.44 177.55 1xhs n LEU 109 N -3.77 0.04 0.00 -4.49 4.77 -1.26 -4.92 117.00 107.37 1xhs n LEU 109 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xhs n LEU 109 Cb 0.68 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xhs n LEU 109 CO 0.45 -0.29 0.00 -0.67 -1.33 0.00 0.00 177.39 175.55 1xhs n ASP 110 N -2.05 0.00 -0.37 -1.43 2.03 -1.26 -4.52 116.55 108.94 1xhs n ASP 110 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xhs n ASP 110 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1xhs n ASP 110 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xhs n ARG 111 N 0.00 1.15 0.03 -0.67 1.74 -1.26 -0.68 116.66 116.97 1xhs n ARG 111 Ca 0.00 -0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.05 1xhs n ARG 111 Cb 0.00 -1.33 0.20 0.00 -1.02 0.00 0.00 32.46 30.30 1xhs n ARG 111 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1xhs n ASP 112 N -0.14 0.59 0.00 0.55 5.68 -1.26 -5.31 116.55 116.66 1xhs n ASP 112 Ca 0.01 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1xhs n ASP 112 Cb 0.19 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1xhs n ASP 112 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16