#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 0.85 0.05 2.12 0.52 -1.26 -0.13 118.95 121.10 1xhs s ARG 2 Ca 0.00 -0.06 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1xhs s ARG 2 Cb 0.00 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.48 1xhs s ARG 2 CO 0.00 -0.16 -0.17 0.42 0.02 0.00 0.00 175.30 175.40 1xhs s ILE 3 N 1.31 1.38 -0.42 1.52 1.01 -0.96 -1.73 121.20 123.30 1xhs s ILE 3 Ca -0.05 -1.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 1xhs s ILE 3 Cb -0.14 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.13 1xhs s ILE 3 CO -0.02 0.07 0.85 0.12 0.00 0.00 0.00 174.94 175.95 1xhs s PHE 4 N -0.88 3.01 -0.03 3.97 5.36 -0.56 -2.31 117.98 126.55 1xhs s PHE 4 Ca 0.04 0.42 -0.17 0.00 -0.96 0.00 0.00 56.93 56.26 1xhs s PHE 4 Cb -0.08 -3.69 -0.05 0.00 -0.34 0.00 0.00 43.02 38.85 1xhs s PHE 4 CO 0.02 -0.93 0.48 0.08 -1.46 0.00 0.00 175.22 173.41 1xhs s VAL 5 N 3.41 5.01 -0.52 3.12 1.01 0.19 -4.86 120.40 127.77 1xhs s VAL 5 Ca 0.34 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1xhs s VAL 5 Cb -0.12 -3.80 0.59 0.00 0.00 0.00 0.00 36.38 33.05 1xhs s VAL 5 CO 0.22 0.47 1.95 0.00 0.00 0.00 0.00 175.10 177.74 1xhs n TYR 6 N 2.52 3.11 -4.61 5.22 0.18 -1.26 -0.04 117.16 122.27 1xhs n TYR 6 Ca -0.10 -2.26 0.00 0.00 1.88 0.00 0.00 57.90 57.42 1xhs n TYR 6 Cb 0.52 -1.12 0.00 0.00 -0.38 0.00 0.00 39.34 38.36 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 -1.07 -0.00 4.97 -7.48 0.00 -1.26 -4.81 105.19 95.53 1xhs n GLY 7 Ca 0.61 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.84 0.00 0.19 1.61 3.41 -1.26 -4.49 113.62 111.24 1xhs n SER 8 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1xhs n SER 8 Cb 0.00 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.00 0.00 -1.47 1.04 4.07 -1.91 -2.72 115.31 114.32 1xhs h LEU 9 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xhs h LEU 9 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1xhs h LEU 9 CO 0.00 0.00 0.30 0.03 -1.08 0.00 0.00 178.44 177.69 1xhs h ARG 10 N 0.00 0.00 -0.25 1.13 3.08 -2.00 -1.18 114.38 115.16 1xhs h ARG 10 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1xhs h ARG 10 Cb 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1xhs h ARG 10 CO 0.00 0.00 -0.10 1.25 -1.07 0.00 0.00 179.97 180.05 1xhs h HIS 11 N 0.00 -0.23 -3.37 3.04 2.76 -1.88 -3.41 115.15 112.05 1xhs h HIS 11 Ca 0.00 0.03 -0.35 0.00 -2.20 0.00 0.00 60.37 57.84 1xhs h HIS 11 Cb 0.59 0.14 -0.37 0.00 1.55 0.00 0.00 27.41 29.32 1xhs h HIS 11 CO 0.00 -0.16 -0.74 0.15 -1.30 0.00 0.00 177.93 175.88 1xhs s LYS 12 N -6.19 -0.04 0.15 5.26 1.02 -0.44 -5.02 119.74 114.48 1xhs s LYS 12 Ca -0.14 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1xhs s LYS 12 Cb 0.12 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1xhs s LYS 12 CO 0.69 -0.28 0.00 0.94 -0.92 0.00 0.00 175.35 175.78 1xhs n GLN 13 N 4.94 0.00 -1.66 1.68 -0.06 -1.26 -4.92 117.38 116.10 1xhs n GLN 13 Ca -0.11 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.48 1xhs n GLN 13 Cb 0.50 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.67 1xhs n GLN 13 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xhs n GLY 14 N 1.46 4.50 0.00 1.69 0.00 -1.26 -3.23 105.19 108.35 1xhs n GLY 14 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 4.18 0.25 -1.61 1.61 6.94 -1.26 -4.83 115.26 120.55 1xhs n ASN 15 Ca 0.63 -1.06 -0.02 0.00 -0.02 0.00 0.00 54.58 54.12 1xhs n ASN 15 Cb 0.30 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.03 -0.61 0.11 0.53 3.41 -1.25 -5.02 113.62 110.77 1xhs n SER 16 Ca 0.00 -1.38 0.10 0.00 -0.26 0.00 0.00 58.87 57.34 1xhs n SER 16 Cb 0.27 1.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.67 1xhs n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xhs n HIS 17 N -0.19 0.61 -0.21 7.33 8.25 -1.26 -2.56 115.22 127.19 1xhs n HIS 17 Ca -0.02 0.26 -0.06 0.00 -0.26 0.00 0.00 57.72 57.64 1xhs n HIS 17 Cb 0.18 -0.91 0.04 0.00 1.12 0.00 0.00 29.99 30.41 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 0.78 0.00 4.41 2.91 -1.94 -3.42 115.95 118.69 1xhs h TRP 18 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1xhs h TRP 18 Cb 0.27 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1xhs h TRP 18 CO 0.00 0.51 0.00 -0.12 -1.03 0.00 0.00 178.44 177.80 1xhs n MET 19 N -4.64 0.00 0.00 2.65 1.56 -1.06 -4.69 117.12 110.94 1xhs n MET 19 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1xhs n MET 19 Cb 0.03 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.40 1xhs n MET 19 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1xhs n THR 20 N 0.00 0.00 1.06 1.12 -1.04 -1.16 -0.45 114.28 113.80 1xhs n THR 20 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1xhs n THR 20 Cb 0.00 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.73 1xhs n THR 20 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xhs n ASN 21 N 0.15 0.75 -4.70 8.00 3.02 -1.26 -4.96 115.26 116.27 1xhs n ASN 21 Ca 0.00 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 1xhs n ASN 21 Cb 0.00 0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xhs n ALA 22 N -1.24 1.32 -3.95 5.41 0.00 0.40 -4.88 120.51 117.57 1xhs n ALA 22 Ca 0.07 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1xhs n ALA 22 Cb 0.34 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 1xhs n ALA 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1xhs s GLN 23 N -1.61 2.37 -0.39 0.00 0.74 -0.37 -4.98 119.66 115.42 1xhs s GLN 23 Ca 0.58 -0.59 -0.28 0.00 0.05 0.00 0.00 55.36 55.12 1xhs s GLN 23 Cb -0.58 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 1xhs s GLN 23 CO 0.60 -0.20 2.01 -1.17 -0.55 0.00 0.00 175.29 175.98 1xhs s LEU 24 N 1.36 3.43 0.21 3.68 2.96 -1.26 -1.23 118.68 127.83 1xhs s LEU 24 Ca 0.02 1.20 -0.06 0.00 -0.22 0.00 0.00 54.13 55.08 1xhs s LEU 24 Cb -0.13 -3.14 0.17 0.00 0.50 0.00 0.00 46.19 43.59 1xhs s LEU 24 CO -0.09 -2.10 1.66 -0.07 -1.32 0.00 0.00 176.35 174.43 1xhs h LEU 25 N 15.55 0.88 0.00 -0.68 3.38 -1.36 -3.48 115.31 129.61 1xhs h LEU 25 Ca -0.32 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1xhs h LEU 25 Cb 1.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1xhs h LEU 25 CO 1.08 1.00 0.00 0.61 0.09 0.00 0.00 178.44 181.21 1xhs n GLY 26 N -0.38 3.17 3.77 0.83 0.00 -1.17 -5.01 105.19 106.39 1xhs n GLY 26 Ca 0.02 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1xhs n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhs s ASP 27 N 0.00 6.17 -0.11 1.61 1.11 -1.26 -1.85 116.67 122.34 1xhs s ASP 27 Ca 0.00 2.42 -0.03 0.00 0.18 0.00 0.00 52.55 55.12 1xhs s ASP 27 Cb 0.00 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.42 1xhs s ASP 27 CO 0.00 -0.92 0.07 0.12 1.18 0.00 0.00 175.17 175.61 1xhs s PHE 28 N -1.44 0.25 -0.19 4.23 5.36 0.23 -4.84 117.98 121.57 1xhs s PHE 28 Ca 0.62 -0.11 -0.09 0.00 -0.96 0.00 0.00 56.93 56.39 1xhs s PHE 28 Cb -0.32 -0.64 -0.05 0.00 -0.34 0.00 0.00 43.02 41.67 1xhs s PHE 28 CO 0.39 -0.37 0.11 -1.54 -1.46 0.00 0.00 175.22 172.36 1xhs s SER 29 N 2.11 6.08 -0.11 6.13 1.04 -1.25 -1.00 113.70 126.70 1xhs s SER 29 Ca 0.03 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1xhs s SER 29 Cb -0.14 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 1xhs s SER 29 CO -0.06 0.20 -0.19 0.27 0.98 0.00 0.00 173.24 174.44 1xhs s ILE 30 N 0.22 2.50 0.29 -1.02 -4.36 0.12 -4.90 121.20 114.05 1xhs s ILE 30 Ca 0.08 -0.86 -0.10 0.00 -0.26 0.00 0.00 60.65 59.50 1xhs s ILE 30 Cb -0.11 -2.00 -0.07 0.00 1.25 0.00 0.00 42.46 41.53 1xhs s ILE 30 CO -0.01 0.55 0.62 -1.81 0.24 0.00 0.00 174.94 174.53 1xhs s ASP 31 N 0.30 6.60 -0.75 4.36 1.01 -1.26 -0.30 116.67 126.63 1xhs s ASP 31 Ca -0.14 0.98 -0.02 0.00 0.71 0.00 0.00 52.55 54.08 1xhs s ASP 31 Cb -0.17 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1xhs s ASP 31 CO 0.07 -0.17 0.22 0.59 0.21 0.00 0.00 175.17 176.09 1xhs n ASN 32 N -0.53 -3.60 -4.13 0.27 3.02 0.28 -4.91 115.26 105.67 1xhs n ASN 32 Ca 0.01 -0.11 -0.13 0.00 -0.03 0.00 0.00 54.58 54.32 1xhs n ASN 32 Cb 0.53 -2.58 -0.11 0.00 -0.61 0.00 0.00 39.78 37.01 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 -2.75 0.86 0.15 3.10 2.02 -0.66 0.61 117.35 120.68 1xhs s TYR 33 Ca 0.11 -0.65 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 1xhs s TYR 33 Cb -0.05 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1xhs s TYR 33 CO 0.13 -0.08 -0.14 -0.65 -1.57 0.00 0.00 175.55 173.24 1xhs s GLN 34 N -2.53 1.15 -0.13 -0.62 -0.21 0.99 -2.79 119.66 115.53 1xhs s GLN 34 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1xhs s GLN 34 Cb -0.04 -1.00 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 1xhs s GLN 34 CO -0.01 0.18 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.04 1xhs s LEU 35 N -2.81 2.71 -0.18 2.90 2.96 -1.10 -1.66 118.68 121.51 1xhs s LEU 35 Ca 0.15 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1xhs s LEU 35 Cb -0.03 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1xhs s LEU 35 CO 0.04 0.17 0.13 -0.31 -1.32 0.00 0.00 176.35 175.07 1xhs s TYR 36 N 0.32 3.46 -0.52 5.38 2.02 0.30 0.11 117.35 128.42 1xhs s TYR 36 Ca -0.11 0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.81 1xhs s TYR 36 Cb -0.16 -2.11 0.10 0.00 -0.40 0.00 0.00 41.96 39.39 1xhs s TYR 36 CO 0.06 0.39 0.48 -1.12 -1.57 0.00 0.00 175.55 173.79 1xhs s SER 37 N 0.04 6.17 -0.03 2.29 0.01 0.98 -0.92 113.70 122.24 1xhs s SER 37 Ca 0.10 -1.55 0.06 0.00 1.31 0.00 0.00 55.95 55.87 1xhs s SER 37 Cb -0.11 -2.21 0.11 0.00 0.21 0.00 0.00 66.02 64.02 1xhs s SER 37 CO -0.01 -0.80 1.07 0.00 0.41 0.00 0.00 173.24 173.92 1xhs n LEU 38 N 5.35 2.24 0.00 2.44 -0.00 -1.25 -2.57 117.00 123.21 1xhs n LEU 38 Ca -0.13 -2.28 0.00 0.00 -0.00 0.00 0.00 56.01 53.61 1xhs n LEU 38 Cb 0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 1xhs n LEU 38 CO 0.52 0.58 0.00 0.61 -0.00 0.00 0.00 177.39 179.09 1xhs n GLY 39 N -0.61 1.51 0.30 1.47 0.00 -1.26 -4.55 105.19 102.05 1xhs n GLY 39 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1xhs n GLY 39 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xhs h HIS 40 N 0.00 0.96 -1.34 1.61 6.17 -1.98 -3.46 115.15 117.12 1xhs h HIS 40 Ca 0.00 0.02 0.21 0.00 0.71 0.00 0.00 60.37 61.31 1xhs h HIS 40 Cb 0.00 -0.32 -0.23 0.00 2.52 0.00 0.00 27.41 29.38 1xhs h HIS 40 CO 0.00 0.58 0.80 1.52 0.71 0.00 0.00 177.93 181.54 1xhs s TYR 41 N -6.12 -0.15 -0.30 5.26 1.13 -1.26 -5.11 117.35 110.79 1xhs s TYR 41 Ca -0.13 0.20 -0.29 0.00 -1.41 0.00 0.00 57.07 55.45 1xhs s TYR 41 Cb 0.16 0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 1xhs s TYR 41 CO 0.78 -0.17 1.64 -2.14 -2.51 0.00 0.00 175.55 173.15 1xhs s PRO 42 N -1.58 3.58 0.41 -3.49 0.02 -1.26 -3.76 135.00 128.92 1xhs s PRO 42 Ca 0.07 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 62.48 1xhs s PRO 42 Cb -0.01 -4.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 1xhs s PRO 42 CO -0.04 -1.56 0.67 0.20 -0.33 0.00 0.00 177.00 175.94 1xhs s GLY 43 N 4.84 1.47 -0.03 0.52 0.00 -0.10 -4.82 107.32 109.20 1xhs s GLY 43 Ca 0.72 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1xhs s GLY 43 CO 0.31 -0.55 0.07 0.00 0.00 0.00 0.00 173.10 172.94 1xhs s ALA 44 N -2.52 -0.16 0.13 3.20 0.00 -1.25 0.11 121.76 121.27 1xhs s ALA 44 Ca 0.44 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 1xhs s ALA 44 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1xhs s ALA 44 CO 0.40 -0.04 0.19 0.14 0.00 0.00 0.00 175.76 176.46 1xhs s VAL 45 N 0.08 0.11 0.49 0.00 -7.23 -0.66 -4.18 120.40 109.00 1xhs s VAL 45 Ca -0.00 -1.44 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 1xhs s VAL 45 Cb -0.01 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.17 1xhs s VAL 45 CO -0.00 -0.49 1.22 -2.84 -0.31 0.00 0.00 175.10 172.68 1xhs s PRO 46 N -3.94 3.58 0.00 4.82 0.02 -1.26 -0.01 135.00 138.20 1xhs s PRO 46 Ca 0.14 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1xhs s PRO 46 Cb 0.05 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1xhs s PRO 46 CO -0.04 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1xhs n GLY 47 N 0.52 -0.77 2.76 0.52 0.00 0.20 -4.72 105.19 103.70 1xhs n GLY 47 Ca 0.08 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.46 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 1.27 0.00 1.61 3.84 -1.26 -4.47 114.94 111.94 1xhs s ASN 48 Ca 0.00 -1.44 0.00 0.00 0.21 0.00 0.00 52.86 51.63 1xhs s ASN 48 Cb 0.00 0.54 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 1xhs s ASN 48 CO 0.00 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.64 1xhs n GLY 49 N 4.43 -0.78 2.92 1.21 0.00 -1.12 -4.64 105.19 107.22 1xhs n GLY 49 Ca 0.09 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 1.67 -0.60 2.61 2.01 -1.21 0.99 115.64 119.11 1xhs s THR 50 Ca 0.00 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.05 1xhs s THR 50 Cb 0.00 -2.12 0.04 0.00 0.01 0.00 0.00 72.50 70.44 1xhs s THR 50 CO 0.00 -0.42 1.06 -0.69 -0.69 0.00 0.00 174.62 173.87 1xhs s VAL 51 N 1.25 4.19 -0.73 3.82 1.01 0.59 -3.47 120.40 127.06 1xhs s VAL 51 Ca 0.04 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1xhs s VAL 51 Cb -0.19 -4.66 0.14 0.00 0.00 0.00 0.00 36.38 31.67 1xhs s VAL 51 CO -0.12 -1.34 0.81 -1.38 0.00 0.00 0.00 175.10 173.08 1xhs s HIS 52 N 4.48 3.26 0.00 5.22 -3.43 0.34 -0.70 115.29 124.45 1xhs s HIS 52 Ca 0.33 -1.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.21 1xhs s HIS 52 Cb -0.11 -4.01 0.00 0.00 -1.43 0.00 0.00 32.58 27.03 1xhs s HIS 52 CO 0.19 -1.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.10 1xhs n GLY 53 N 4.95 5.28 3.01 -1.38 0.00 -0.17 -4.80 105.19 112.08 1xhs n GLY 53 Ca 0.05 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 1xhs n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhs s GLU 54 N 2.02 1.94 -0.28 1.61 2.02 0.95 -0.60 118.70 126.35 1xhs s GLU 54 Ca 0.00 -0.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.36 1xhs s GLU 54 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 1xhs s GLU 54 CO 0.00 -0.11 0.49 0.08 0.02 0.00 0.00 175.26 175.74 1xhs s VAL 55 N 1.13 5.07 0.09 2.63 1.01 -0.77 0.57 120.40 130.13 1xhs s VAL 55 Ca -0.05 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1xhs s VAL 55 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1xhs s VAL 55 CO -0.03 0.04 -0.18 -0.31 0.00 0.00 0.00 175.10 174.62 1xhs s TYR 56 N 2.29 2.55 -0.30 5.22 1.51 -0.98 -0.89 117.35 126.75 1xhs s TYR 56 Ca 0.20 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.92 1xhs s TYR 56 Cb -0.16 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1xhs s TYR 56 CO 0.10 0.33 0.11 0.50 -1.11 0.00 0.00 175.55 175.49 1xhs s ARG 57 N -1.86 3.15 0.39 -0.62 3.52 -0.36 -2.27 118.95 120.90 1xhs s ARG 57 Ca 0.17 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1xhs s ARG 57 Cb -0.11 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1xhs s ARG 57 CO 0.08 -0.45 0.08 0.96 -0.81 0.00 0.00 175.30 175.16 1xhs s ILE 58 N 1.54 0.98 0.44 4.11 -0.00 0.82 -1.23 121.20 127.85 1xhs s ILE 58 Ca 0.03 -2.00 -0.24 0.00 -0.00 0.00 0.00 60.65 58.45 1xhs s ILE 58 Cb -0.17 -2.52 -0.10 0.00 -0.00 0.00 0.00 42.46 39.67 1xhs s ILE 58 CO 0.04 0.00 0.99 0.47 -0.00 0.00 0.00 174.94 176.44 1xhs n ASP 59 N -1.06 1.17 -0.13 4.36 8.00 -1.26 0.70 116.55 128.33 1xhs n ASP 59 Ca -0.07 1.01 0.02 0.00 0.71 0.00 0.00 54.79 56.46 1xhs n ASP 59 Cb 0.66 -1.35 0.32 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.42 0.70 -0.05 -2.24 4.21 -1.99 -2.19 115.58 115.45 1xhs h ASN 60 Ca -0.45 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.02 1xhs h ASN 60 Cb 1.34 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.36 1xhs h ASN 60 CO 0.56 0.51 -0.02 0.00 -1.29 0.00 0.00 177.43 177.19 1xhs h ALA 61 N 1.62 1.72 -0.97 -0.83 0.00 -1.99 -2.18 119.26 116.63 1xhs h ALA 61 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1xhs h ALA 61 Cb -0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1xhs h ALA 61 CO -0.05 0.21 0.62 1.15 0.00 0.00 0.00 179.25 181.18 1xhs h THR 62 N 0.19 1.03 -0.17 0.00 2.02 -1.70 0.44 112.91 114.72 1xhs h THR 62 Ca 0.05 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1xhs h THR 62 Cb 0.17 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1xhs h THR 62 CO 0.01 0.20 -0.06 0.25 0.37 0.00 0.00 175.52 176.28 1xhs h LEU 63 N 1.08 0.34 -1.82 2.58 5.85 -1.50 0.15 115.31 122.00 1xhs h LEU 63 Ca 0.44 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1xhs h LEU 63 Cb 0.26 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1xhs h LEU 63 CO -0.20 0.66 0.20 0.00 -0.34 0.00 0.00 178.44 178.76 1xhs h ALA 64 N 0.69 1.99 0.01 1.25 0.00 -1.14 0.32 119.26 122.38 1xhs h ALA 64 Ca 0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1xhs h ALA 64 Cb 0.52 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xhs h ALA 64 CO 0.02 -0.04 -0.74 1.49 0.00 0.00 0.00 179.25 179.99 1xhs h GLU 65 N 0.24 0.48 -0.57 0.00 4.81 0.21 -2.60 114.58 117.15 1xhs h GLU 65 Ca 0.13 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1xhs h GLU 65 Cb 0.22 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1xhs h GLU 65 CO -0.02 1.17 0.20 1.25 -0.73 0.00 0.00 179.01 180.88 1xhs h LEU 66 N 0.01 0.80 0.03 1.64 6.46 0.21 -2.18 115.31 122.28 1xhs h LEU 66 Ca -0.10 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1xhs h LEU 66 Cb 1.44 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1xhs h LEU 66 CO 0.15 0.78 -0.04 0.44 -0.62 0.00 0.00 178.44 179.14 1xhs h ASP 67 N 0.79 -0.11 -0.17 1.25 3.32 -0.48 0.51 116.42 121.53 1xhs h ASP 67 Ca 0.19 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.30 1xhs h ASP 67 Cb 0.24 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xhs h ASP 67 CO -0.01 -0.06 0.13 0.00 -1.72 0.00 0.00 179.24 177.58 1xhs h ALA 68 N 0.88 2.04 0.00 3.45 0.00 -1.29 0.24 119.26 124.58 1xhs h ALA 68 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xhs h ALA 68 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xhs h ALA 68 CO -0.02 -0.22 -0.57 -0.07 0.00 0.00 0.00 179.25 178.37 1xhs h LEU 69 N 0.00 0.00 0.10 0.00 3.38 -0.86 -3.38 115.31 114.55 1xhs h LEU 69 Ca 0.08 -0.31 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 1xhs h LEU 69 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xhs h LEU 69 CO -0.00 0.97 -1.27 -0.09 0.09 0.00 0.00 178.44 178.15 1xhs h ARG 70 N -1.00 0.21 -0.00 1.13 2.43 0.20 -3.38 114.38 113.96 1xhs h ARG 70 Ca -0.11 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1xhs h ARG 70 Cb 0.73 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1xhs h ARG 70 CO -0.07 1.18 -0.75 0.25 -1.51 0.00 0.00 179.97 179.07 1xhs n THR 71 N -4.02 0.00 -0.01 0.20 -2.24 -0.02 -3.61 114.28 104.57 1xhs n THR 71 Ca -0.24 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1xhs n THR 71 Cb 0.85 0.83 0.49 0.00 -2.10 0.00 0.00 70.33 70.40 1xhs n THR 71 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1xhs h ARG 72 N 0.48 0.40 0.00 -0.78 2.43 -1.48 -3.06 114.38 112.37 1xhs h ARG 72 Ca 0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1xhs h ARG 72 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1xhs h ARG 72 CO 0.00 0.27 -0.40 0.78 -1.51 0.00 0.00 179.97 179.11 1xhs h GLY 73 N 0.42 0.00 0.00 2.80 0.00 -1.77 -3.49 103.07 101.02 1xhs h GLY 73 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xhs h GLY 73 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1xhs n GLY 74 N 1.58 0.74 0.09 4.60 0.00 -1.16 -5.09 105.19 105.95 1xhs n GLY 74 Ca -0.15 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1xhs n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xhs h GLU 75 N 0.00 0.00 -5.02 1.61 5.08 -1.84 -3.50 114.58 110.91 1xhs h GLU 75 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.96 1xhs h GLU 75 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1xhs h GLU 75 CO 0.00 0.54 -0.61 0.71 -1.00 0.00 0.00 179.01 178.65 1xhs s TYR 76 N -2.28 1.71 0.22 4.33 2.02 -1.26 -4.19 117.35 117.90 1xhs s TYR 76 Ca -0.22 -1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 55.29 1xhs s TYR 76 Cb 0.04 -1.05 -0.07 0.00 -0.40 0.00 0.00 41.96 40.47 1xhs s TYR 76 CO 0.42 -0.20 0.53 0.00 -1.57 0.00 0.00 175.55 174.72 1xhs s ALA 77 N -3.56 3.59 -0.15 3.71 0.00 -0.42 -4.92 121.76 120.00 1xhs s ALA 77 Ca 0.37 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 1xhs s ALA 77 Cb 0.08 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1xhs s ALA 77 CO 0.14 0.53 0.09 0.50 0.00 0.00 0.00 175.76 177.02 1xhs s ARG 78 N -2.79 3.68 0.06 0.00 6.06 -1.26 -1.32 118.95 123.38 1xhs s ARG 78 Ca 0.46 -0.26 0.03 0.00 -2.50 0.00 0.00 55.73 53.46 1xhs s ARG 78 Cb -0.11 -3.18 -0.03 0.00 0.06 0.00 0.00 34.95 31.69 1xhs s ARG 78 CO 0.22 0.51 -0.08 -1.14 -2.50 0.00 0.00 175.30 172.30 1xhs s GLN 79 N -0.29 0.65 -0.20 5.12 0.74 0.46 -4.95 119.66 121.18 1xhs s GLN 79 Ca 0.10 -0.93 0.01 0.00 0.05 0.00 0.00 55.36 54.58 1xhs s GLN 79 Cb -0.12 -0.36 0.03 0.00 1.10 0.00 0.00 33.01 33.66 1xhs s GLN 79 CO 0.01 0.05 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.47 1xhs s LEU 80 N -1.97 2.51 0.07 3.68 2.96 -1.26 0.85 118.68 125.51 1xhs s LEU 80 Ca -0.03 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 1xhs s LEU 80 Cb -0.06 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1xhs s LEU 80 CO -0.00 -0.05 -0.01 0.27 -1.32 0.00 0.00 176.35 175.23 1xhs s ILE 81 N 1.26 3.97 -0.20 6.68 -4.36 0.23 -4.96 121.20 123.82 1xhs s ILE 81 Ca 0.02 -0.93 -0.13 0.00 -0.26 0.00 0.00 60.65 59.34 1xhs s ILE 81 Cb -0.15 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 1xhs s ILE 81 CO -0.10 0.18 0.29 -1.58 0.24 0.00 0.00 174.94 173.96 1xhs s GLN 82 N -2.12 4.17 0.25 0.37 2.00 -1.26 -0.52 119.66 122.55 1xhs s GLN 82 Ca 0.24 0.02 0.11 0.00 -2.00 0.00 0.00 55.36 53.72 1xhs s GLN 82 Cb -0.12 -3.50 -0.05 0.00 0.80 0.00 0.00 33.01 30.15 1xhs s GLN 82 CO 0.16 0.09 -0.18 0.95 -0.50 0.00 0.00 175.29 175.81 1xhs s THR 83 N 0.93 2.24 -0.94 -0.34 -4.23 -1.08 -4.94 115.64 107.28 1xhs s THR 83 Ca 0.14 -2.34 0.09 0.00 -1.18 0.00 0.00 61.69 58.41 1xhs s THR 83 Cb -0.14 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.57 1xhs s THR 83 CO 0.05 -0.46 1.29 -2.65 -0.54 0.00 0.00 174.62 172.31 1xhs n PRO 84 N -0.53 0.02 -0.35 3.99 -0.02 -1.26 -1.78 135.00 135.06 1xhs n PRO 84 Ca -0.06 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1xhs n PRO 84 Cb 0.60 -1.54 0.24 0.00 -0.02 0.00 0.00 33.50 32.78 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 -1.57 0.85 0.00 6.00 4.01 -1.26 -5.03 117.16 120.16 1xhs n TYR 85 Ca 0.02 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1xhs n TYR 85 Cb 0.10 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.64 1.22 3.65 2.72 0.00 -0.74 -5.03 105.19 107.65 1xhs n GLY 86 Ca 0.18 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1xhs n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xhs s SER 87 N -4.00 -0.32 0.03 1.61 0.15 -1.26 -2.62 113.70 107.30 1xhs s SER 87 Ca 0.00 0.53 0.05 0.00 0.70 0.00 0.00 55.95 57.24 1xhs s SER 87 Cb 0.00 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1xhs s SER 87 CO 0.00 -0.09 -0.16 0.00 1.20 0.00 0.00 173.24 174.20 1xhs s ALA 88 N 0.88 1.32 -0.08 5.45 0.00 0.32 -4.52 121.76 125.13 1xhs s ALA 88 Ca -0.04 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 1xhs s ALA 88 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1xhs s ALA 88 CO -0.12 0.28 0.91 -1.58 0.00 0.00 0.00 175.76 175.25 1xhs s TRP 89 N -0.74 3.55 0.18 0.00 0.52 -0.71 -0.60 118.94 121.14 1xhs s TRP 89 Ca 0.04 1.50 0.07 0.00 0.02 0.00 0.00 56.10 57.72 1xhs s TRP 89 Cb -0.08 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 1xhs s TRP 89 CO 0.01 -0.11 0.05 1.41 0.02 0.00 0.00 176.95 178.33 1xhs s MET 90 N 1.52 2.57 -0.08 4.98 1.75 0.25 -1.50 119.30 128.80 1xhs s MET 90 Ca 0.46 -1.04 0.03 0.00 -1.25 0.00 0.00 55.69 53.89 1xhs s MET 90 Cb -0.19 -2.45 0.00 0.00 2.84 0.00 0.00 34.83 35.04 1xhs s MET 90 CO 0.20 0.46 -0.19 0.71 -0.65 0.00 0.00 175.02 175.55 1xhs s TYR 91 N -1.77 2.06 -0.13 4.11 1.51 -1.26 -0.41 117.35 121.47 1xhs s TYR 91 Ca 0.29 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1xhs s TYR 91 Cb -0.09 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1xhs s TYR 91 CO 0.20 -0.34 -0.03 0.08 -1.11 0.00 0.00 175.55 174.36 1xhs s VAL 92 N 0.42 4.03 0.19 0.71 1.01 -0.43 -3.92 120.40 122.40 1xhs s VAL 92 Ca -0.15 -0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.17 1xhs s VAL 92 Cb -0.16 -2.73 -0.15 0.00 0.00 0.00 0.00 36.38 33.34 1xhs s VAL 92 CO 0.06 0.54 1.25 0.00 0.00 0.00 0.00 175.10 176.95 1xhs n TYR 93 N 2.97 1.61 -2.42 5.22 4.11 -1.26 -1.30 117.16 126.09 1xhs n TYR 93 Ca -0.18 0.59 0.01 0.00 -0.00 0.00 0.00 57.90 58.32 1xhs n TYR 93 Cb 0.53 -2.35 0.06 0.00 -0.00 0.00 0.00 39.34 37.58 1xhs n TYR 93 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 1xhs n GLN 94 N 1.88 1.04 -3.76 -3.48 -0.06 -1.26 -4.75 117.38 106.99 1xhs n GLN 94 Ca 0.14 -2.81 -0.18 0.00 -2.00 0.00 0.00 57.00 52.15 1xhs n GLN 94 Cb 0.27 -0.89 -0.05 0.00 -4.06 0.00 0.00 30.24 25.50 1xhs n GLN 94 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1xhs n ARG 95 N -0.16 0.65 -2.52 3.69 5.12 -1.26 -4.87 116.66 117.30 1xhs n ARG 95 Ca 0.12 -2.54 -0.41 0.00 -1.93 0.00 0.00 57.85 53.09 1xhs n ARG 95 Cb 0.97 1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 33.66 1xhs n ARG 95 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1xhs s PRO 96 N -3.14 4.59 -0.04 5.56 0.02 -1.26 -4.93 135.00 135.80 1xhs s PRO 96 Ca 0.16 1.70 0.20 0.00 0.02 0.00 0.00 61.00 63.09 1xhs s PRO 96 Cb 0.01 -3.29 0.64 0.00 0.02 0.00 0.00 34.50 31.88 1xhs s PRO 96 CO 0.12 0.05 1.54 1.33 -0.33 0.00 0.00 177.00 179.71 1xhs n VAL 97 N 2.54 1.28 0.19 3.83 0.24 -1.26 -4.54 118.33 120.60 1xhs n VAL 97 Ca 0.03 -1.08 0.02 0.00 -2.04 0.00 0.00 64.34 61.28 1xhs n VAL 97 Cb 0.46 0.38 0.10 0.00 -1.47 0.00 0.00 33.84 33.31 1xhs n VAL 97 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xhs n ASP 98 N 1.36 0.00 -1.30 -1.34 8.00 -1.26 -2.20 116.55 119.80 1xhs n ASP 98 Ca 0.24 0.25 0.01 0.00 0.71 0.00 0.00 54.79 56.00 1xhs n ASP 98 Cb 0.69 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1xhs n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhs n GLY 99 N -0.95 0.85 3.68 0.44 0.00 -1.26 -5.11 105.19 102.84 1xhs n GLY 99 Ca 0.02 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 3.12 -0.23 0.99 1.43 -0.94 -5.03 118.68 118.03 1xhs s LEU 100 Ca 0.23 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1xhs s LEU 100 Cb 0.26 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1xhs s LEU 100 CO -0.12 -0.27 0.11 -0.75 0.23 0.00 0.00 176.35 175.55 1xhs s LYS 101 N -3.78 3.92 0.23 1.70 2.20 -1.06 -4.96 119.74 117.98 1xhs s LYS 101 Ca 0.36 -0.35 -0.22 0.00 -0.36 0.00 0.00 55.97 55.40 1xhs s LYS 101 Cb -0.01 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1xhs s LYS 101 CO 0.21 0.04 0.78 -1.17 -0.36 0.00 0.00 175.35 174.85 1xhs s LEU 102 N 1.06 4.39 -0.60 5.43 2.96 -1.26 -0.01 118.68 130.65 1xhs s LEU 102 Ca 0.06 1.55 -0.07 0.00 -0.22 0.00 0.00 54.13 55.44 1xhs s LEU 102 Cb -0.14 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.09 1xhs s LEU 102 CO 0.04 0.05 0.46 -0.63 -1.32 0.00 0.00 176.35 174.94 1xhs s ILE 103 N -1.47 4.25 -0.53 6.68 1.01 0.30 -4.91 121.20 126.53 1xhs s ILE 103 Ca 0.43 -2.38 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1xhs s ILE 103 Cb -0.18 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1xhs s ILE 103 CO 0.23 -0.86 0.27 -0.62 0.00 0.00 0.00 174.94 173.95 1xhs n GLU 104 N 4.17 0.36 -0.28 2.79 4.71 -1.26 -2.25 120.64 128.89 1xhs n GLU 104 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1xhs n GLU 104 Cb 0.41 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1xhs n GLU 104 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1xhs n SER 105 N 0.56 0.00 -1.68 1.62 7.64 -1.26 -4.65 113.62 115.84 1xhs n SER 105 Ca 0.00 -0.94 -0.13 0.00 1.01 0.00 0.00 58.87 58.81 1xhs n SER 105 Cb 0.13 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.77 4.03 0.23 0.00 -0.95 -3.96 105.19 105.30 1xhs n GLY 106 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xhs n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xhs s ASP 107 N -2.10 4.98 0.00 1.61 -4.77 -1.26 -0.50 116.67 114.62 1xhs s ASP 107 Ca 0.00 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 1xhs s ASP 107 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 1xhs s ASP 107 CO 0.00 -1.44 0.00 1.87 0.70 0.00 0.00 175.17 176.30 1xhs n TRP 108 N -2.34 0.00 -3.12 2.11 -0.00 -1.26 -4.95 117.44 107.89 1xhs n TRP 108 Ca 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.46 1xhs n TRP 108 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.88 1xhs n TRP 108 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1xhs n LEU 109 N -2.34 -0.19 -3.52 5.87 4.77 -1.26 -5.03 117.00 115.30 1xhs n LEU 109 Ca 0.00 -4.54 -0.29 0.00 -0.03 0.00 0.00 56.01 51.15 1xhs n LEU 109 Cb 0.46 0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 42.12 1xhs n LEU 109 CO 0.00 2.10 -0.31 -0.62 -1.33 0.00 0.00 177.39 177.24 1xhs s ASP 110 N -1.49 3.16 0.24 -1.43 2.15 -1.26 -4.93 116.67 113.10 1xhs s ASP 110 Ca 0.35 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.15 1xhs s ASP 110 Cb 0.22 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1xhs s ASP 110 CO -0.12 -0.32 0.00 -2.11 -0.17 0.00 0.00 175.17 172.46 1xhs n ARG 111 N 4.07 0.00 0.00 4.34 0.00 -1.26 -5.07 116.66 118.74 1xhs n ARG 111 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1xhs n ARG 111 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.83 1xhs n ARG 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xhs n ASP 112 N -3.02 0.00 0.00 2.89 8.00 -1.26 -5.32 116.55 117.83 1xhs n ASP 112 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xhs n ASP 112 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xhs n ASP 112 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10