#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 4.19 0.08 2.12 0.52 -1.26 -1.65 118.95 122.94 1xhs s ARG 2 Ca 0.00 0.38 0.10 0.00 -0.52 0.00 0.00 55.73 55.69 1xhs s ARG 2 Cb 0.00 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 1xhs s ARG 2 CO 0.00 -0.14 -0.25 0.42 0.02 0.00 0.00 175.30 175.35 1xhs s ILE 3 N 1.60 2.07 -0.42 1.52 1.01 -0.49 -2.25 121.20 124.25 1xhs s ILE 3 Ca 0.23 -1.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.15 1xhs s ILE 3 Cb -0.15 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1xhs s ILE 3 CO 0.09 0.19 0.66 0.12 0.00 0.00 0.00 174.94 176.01 1xhs s PHE 4 N -0.94 3.07 -0.59 3.97 5.36 -1.04 -1.46 117.98 126.35 1xhs s PHE 4 Ca 0.11 0.07 -0.21 0.00 -0.96 0.00 0.00 56.93 55.94 1xhs s PHE 4 Cb -0.10 -3.35 0.07 0.00 -0.34 0.00 0.00 43.02 39.30 1xhs s PHE 4 CO 0.04 -0.83 0.82 0.08 -1.46 0.00 0.00 175.22 173.87 1xhs s VAL 5 N 2.87 4.57 -0.76 3.12 1.01 -0.26 -4.84 120.40 126.12 1xhs s VAL 5 Ca 0.24 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1xhs s VAL 5 Cb -0.14 -4.53 0.15 0.00 0.00 0.00 0.00 36.38 31.86 1xhs s VAL 5 CO 0.19 -1.18 0.84 -0.72 0.00 0.00 0.00 175.10 174.22 1xhs s TYR 6 N 3.40 3.27 -1.56 5.22 1.13 -1.26 -1.74 117.35 125.81 1xhs s TYR 6 Ca 0.19 -1.41 0.00 0.00 -1.41 0.00 0.00 57.07 54.44 1xhs s TYR 6 Cb -0.18 -4.03 0.00 0.00 -1.10 0.00 0.00 41.96 36.65 1xhs s TYR 6 CO 0.11 -1.25 0.00 0.41 -2.51 0.00 0.00 175.55 172.31 1xhs n GLY 7 N 4.93 0.74 3.67 5.49 0.00 -1.25 -4.82 105.19 113.95 1xhs n GLY 7 Ca 0.07 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1xhs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xhs s SER 8 N -1.58 6.99 0.00 1.61 0.15 -1.26 -4.88 113.70 114.73 1xhs s SER 8 Ca 0.00 1.66 0.19 0.00 0.70 0.00 0.00 55.95 58.50 1xhs s SER 8 Cb 0.00 -2.54 0.53 0.00 -1.71 0.00 0.00 66.02 62.29 1xhs s SER 8 CO 0.00 -0.71 1.43 0.00 1.20 0.00 0.00 173.24 175.15 1xhs n LEU 9 N 6.31 2.59 -0.43 3.45 -0.00 -1.26 -4.40 117.00 123.26 1xhs n LEU 9 Ca 0.13 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 54.94 1xhs n LEU 9 Cb 0.45 -0.26 0.01 0.00 -0.00 0.00 0.00 43.42 43.63 1xhs n LEU 9 CO 0.55 0.60 0.32 0.54 -0.00 0.00 0.00 177.39 179.40 1xhs n ARG 10 N 0.91 1.10 -3.27 1.47 1.74 -1.26 -4.37 116.66 112.98 1xhs n ARG 10 Ca 0.17 -0.09 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 1xhs n ARG 10 Cb 0.44 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1xhs n ARG 10 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xhs s HIS 11 N -1.25 2.89 -0.19 -1.55 3.76 -1.26 -4.99 115.29 112.70 1xhs s HIS 11 Ca 0.02 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.28 1xhs s HIS 11 Cb 0.01 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1xhs s HIS 11 CO 0.01 -0.22 1.88 0.15 -0.85 0.00 0.00 174.74 175.70 1xhs s LYS 12 N -4.24 3.60 -1.96 1.40 1.02 -1.26 -0.96 119.74 117.34 1xhs s LYS 12 Ca 0.50 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.39 1xhs s LYS 12 Cb -0.09 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 1xhs s LYS 12 CO 0.31 -1.54 0.00 1.04 -0.92 0.00 0.00 175.35 174.24 1xhs n GLN 13 N 8.06 -1.57 -2.47 1.68 3.00 -1.25 -4.88 117.38 119.95 1xhs n GLN 13 Ca 0.23 1.10 -0.39 0.00 -0.01 0.00 0.00 57.00 57.93 1xhs n GLN 13 Cb 0.45 -5.59 -0.03 0.00 0.00 0.00 0.00 30.24 25.06 1xhs n GLN 13 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1xhs s GLY 14 N -2.42 1.06 -0.44 1.08 0.00 -0.14 -3.60 107.32 102.88 1xhs s GLY 14 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1xhs s GLY 14 CO 0.00 2.83 0.00 0.70 0.00 0.00 0.00 173.10 176.63 1xhs n ASN 15 N 9.79 -3.90 0.02 1.64 4.13 -1.26 -4.23 115.26 121.45 1xhs n ASN 15 Ca 0.34 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.70 1xhs n ASN 15 Cb 0.50 -1.76 0.00 0.00 -1.54 0.00 0.00 39.78 36.98 1xhs n ASN 15 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1xhs n SER 16 N 0.39 -0.40 -0.03 6.41 3.41 -1.26 -4.89 113.62 117.24 1xhs n SER 16 Ca -0.04 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1xhs n SER 16 Cb 0.20 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1xhs n SER 16 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xhs n HIS 17 N -2.52 0.00 -0.24 7.33 -0.00 -1.22 -3.80 115.22 114.77 1xhs n HIS 17 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1xhs n HIS 17 Cb 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 1xhs n HIS 17 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 1xhs h TRP 18 N 0.03 -0.73 0.00 1.57 6.55 -1.90 -3.34 115.95 118.13 1xhs h TRP 18 Ca 0.00 0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1xhs h TRP 18 Cb 0.01 0.43 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 1xhs h TRP 18 CO 0.00 -0.36 -0.51 -1.33 -1.05 0.00 0.00 178.44 175.19 1xhs n MET 19 N -5.46 0.00 0.00 0.49 2.81 -1.26 -4.86 117.12 108.84 1xhs n MET 19 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1xhs n MET 19 Cb 0.37 -0.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 1xhs n MET 19 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1xhs n THR 20 N -2.59 0.00 0.00 2.03 -1.04 -1.25 -5.10 114.28 106.33 1xhs n THR 20 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xhs n THR 20 Cb 0.25 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.00 0.00 0.00 8.00 3.02 -1.25 -3.79 115.26 121.24 1xhs n ASN 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xhs n ASN 21 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.53 0.00 -3.62 5.41 0.00 -1.26 -3.41 120.51 116.11 1xhs n ALA 22 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1xhs n ALA 22 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 2.42 -0.08 0.00 0.74 -0.93 -4.96 119.66 116.84 1xhs s GLN 23 Ca 0.00 -1.90 -0.29 0.00 0.05 0.00 0.00 55.36 53.22 1xhs s GLN 23 Cb 0.00 -3.84 -0.07 0.00 1.10 0.00 0.00 33.01 30.20 1xhs s GLN 23 CO 0.00 -1.17 1.99 -1.17 -0.55 0.00 0.00 175.29 174.40 1xhs s LEU 24 N 1.10 4.05 -0.08 3.68 2.96 -1.26 -1.68 118.68 127.44 1xhs s LEU 24 Ca 0.08 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.13 1xhs s LEU 24 Cb -0.24 -3.52 -0.29 0.00 0.50 0.00 0.00 46.19 42.64 1xhs s LEU 24 CO -0.02 -1.36 0.61 -0.07 -1.32 0.00 0.00 176.35 174.18 1xhs h LEU 25 N 12.16 0.47 0.00 -0.68 3.38 -1.72 -3.48 115.31 125.44 1xhs h LEU 25 Ca -0.45 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.63 1xhs h LEU 25 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xhs h LEU 25 CO 0.95 1.68 0.00 0.61 0.09 0.00 0.00 178.44 181.77 1xhs n GLY 26 N 1.79 3.84 3.80 0.83 0.00 -1.07 -4.99 105.19 109.39 1xhs n GLY 26 Ca -0.25 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 6.14 -0.29 1.61 1.47 -1.26 -0.89 116.67 123.45 1xhs s ASP 27 Ca 0.00 1.90 0.02 0.00 1.18 0.00 0.00 52.55 55.65 1xhs s ASP 27 Cb 0.00 -2.55 0.18 0.00 -0.34 0.00 0.00 42.92 40.21 1xhs s ASP 27 CO 0.00 -0.92 0.52 0.12 0.68 0.00 0.00 175.17 175.57 1xhs s PHE 28 N -2.13 -1.48 -0.21 2.11 5.36 0.44 -4.81 117.98 117.26 1xhs s PHE 28 Ca 0.66 1.04 -0.19 0.00 -0.96 0.00 0.00 56.93 57.48 1xhs s PHE 28 Cb -0.17 0.24 -0.03 0.00 -0.34 0.00 0.00 43.02 42.72 1xhs s PHE 28 CO 0.26 -0.97 0.56 -1.54 -1.46 0.00 0.00 175.22 172.07 1xhs s SER 29 N 2.74 6.58 -0.22 6.13 1.04 -1.25 -3.43 113.70 125.28 1xhs s SER 29 Ca 0.13 0.70 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 1xhs s SER 29 Cb -0.12 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1xhs s SER 29 CO -0.24 -0.24 0.09 0.27 0.98 0.00 0.00 173.24 174.10 1xhs s ILE 30 N 1.89 4.80 0.56 -1.02 -4.36 -0.60 -4.76 121.20 117.71 1xhs s ILE 30 Ca 0.25 -0.02 -0.07 0.00 -0.26 0.00 0.00 60.65 60.55 1xhs s ILE 30 Cb -0.16 -3.21 -0.02 0.00 1.25 0.00 0.00 42.46 40.32 1xhs s ILE 30 CO 0.10 0.39 0.90 -0.62 0.24 0.00 0.00 174.94 175.94 1xhs s ASP 31 N 0.91 6.06 -0.58 4.36 2.15 -1.25 0.10 116.67 128.41 1xhs s ASP 31 Ca 0.05 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1xhs s ASP 31 Cb -0.14 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1xhs s ASP 31 CO 0.03 -0.81 0.00 0.59 -0.17 0.00 0.00 175.17 174.81 1xhs n ASN 32 N -2.51 -2.92 -3.99 -0.34 3.02 0.14 -4.87 115.26 103.79 1xhs n ASN 32 Ca 0.03 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1xhs n ASN 32 Cb 0.55 -1.82 -0.12 0.00 -0.61 0.00 0.00 39.78 37.79 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 -2.28 0.36 0.19 3.10 2.02 0.52 0.36 117.35 121.62 1xhs s TYR 33 Ca 0.00 -0.41 0.10 0.00 -0.37 0.00 0.00 57.07 56.39 1xhs s TYR 33 Cb 0.00 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1xhs s TYR 33 CO 0.00 -0.12 -0.20 -0.65 -1.57 0.00 0.00 175.55 173.01 1xhs s GLN 34 N -1.16 1.41 -0.07 -0.62 -0.21 0.37 -2.72 119.66 116.66 1xhs s GLN 34 Ca -0.10 -1.51 0.05 0.00 0.02 0.00 0.00 55.36 53.81 1xhs s GLN 34 Cb -0.08 -1.54 -0.01 0.00 1.00 0.00 0.00 33.01 32.38 1xhs s GLN 34 CO -0.00 0.31 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.10 1xhs s LEU 35 N -2.84 2.30 -0.02 2.90 2.96 -1.08 -1.08 118.68 121.82 1xhs s LEU 35 Ca 0.20 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1xhs s LEU 35 Cb -0.06 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1xhs s LEU 35 CO 0.09 0.26 0.14 -0.31 -1.32 0.00 0.00 176.35 175.21 1xhs s TYR 36 N -0.22 3.46 -0.39 5.38 1.51 0.25 0.75 117.35 128.09 1xhs s TYR 36 Ca -0.01 0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 56.29 1xhs s TYR 36 Cb -0.13 -1.81 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1xhs s TYR 36 CO 0.03 0.62 0.19 -1.12 -1.11 0.00 0.00 175.55 174.17 1xhs s SER 37 N -1.77 5.47 -0.13 2.29 0.01 0.92 -3.01 113.70 117.48 1xhs s SER 37 Ca 0.24 -1.43 0.16 0.00 1.31 0.00 0.00 55.95 56.23 1xhs s SER 37 Cb -0.12 -1.92 0.33 0.00 0.21 0.00 0.00 66.02 64.52 1xhs s SER 37 CO 0.15 -0.46 1.22 0.00 0.41 0.00 0.00 173.24 174.56 1xhs n LEU 38 N 4.84 2.77 0.00 2.44 -0.00 -1.25 -2.66 117.00 123.14 1xhs n LEU 38 Ca -0.10 -2.94 0.00 0.00 -0.00 0.00 0.00 56.01 52.97 1xhs n LEU 38 Cb 0.43 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1xhs n LEU 38 CO 0.35 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 179.04 1xhs n GLY 39 N -1.04 2.06 0.22 1.47 0.00 -1.26 -4.39 105.19 102.25 1xhs n GLY 39 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1xhs n GLY 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xhs h HIS 40 N 0.00 0.01 -3.01 1.61 3.86 -2.01 -3.45 115.15 112.16 1xhs h HIS 40 Ca 0.00 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1xhs h HIS 40 Cb 0.00 0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.47 1xhs h HIS 40 CO 0.00 -0.12 0.22 1.52 0.86 0.00 0.00 177.93 180.41 1xhs s TYR 41 N -6.15 -0.33 0.53 2.45 -0.85 -1.26 -5.17 117.35 106.56 1xhs s TYR 41 Ca -0.13 -0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.32 1xhs s TYR 41 Cb 0.17 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 43.11 1xhs s TYR 41 CO 0.73 -1.07 0.87 -1.25 -1.52 0.00 0.00 175.55 173.32 1xhs s PRO 42 N -3.85 3.57 -0.19 -3.49 0.05 -1.26 -3.75 135.00 126.07 1xhs s PRO 42 Ca 0.07 0.41 -0.16 0.00 0.05 0.00 0.00 61.00 61.36 1xhs s PRO 42 Cb -0.04 -2.27 0.05 0.00 0.05 0.00 0.00 34.50 32.30 1xhs s PRO 42 CO -0.02 -0.33 0.50 0.20 0.05 0.00 0.00 177.00 177.40 1xhs s GLY 43 N -4.11 -0.38 0.31 0.56 0.00 -1.17 -5.01 107.32 97.52 1xhs s GLY 43 Ca 0.50 1.49 0.07 0.00 0.00 0.00 0.00 44.72 46.79 1xhs s GLY 43 CO 0.48 1.35 -0.06 0.00 0.00 0.00 0.00 173.10 174.88 1xhs s ALA 44 N 0.50 2.59 0.11 3.20 0.00 -1.25 0.84 121.76 127.75 1xhs s ALA 44 Ca -0.02 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 1xhs s ALA 44 Cb -0.04 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1xhs s ALA 44 CO -0.02 -0.05 0.32 0.14 0.00 0.00 0.00 175.76 176.15 1xhs s VAL 45 N -2.89 0.10 0.12 0.00 -7.23 -0.24 -2.09 120.40 108.17 1xhs s VAL 45 Ca 0.31 -0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 59.32 1xhs s VAL 45 Cb 0.04 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1xhs s VAL 45 CO 0.14 -0.44 1.50 -2.16 -0.31 0.00 0.00 175.10 173.83 1xhs s PRO 46 N -3.83 4.26 0.00 4.82 0.04 -1.26 -0.48 135.00 138.54 1xhs s PRO 46 Ca 0.04 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1xhs s PRO 46 Cb 0.03 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1xhs s PRO 46 CO -0.11 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1xhs n GLY 47 N 3.68 1.40 2.58 0.56 0.00 0.16 -4.78 105.19 108.78 1xhs n GLY 47 Ca 0.13 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 2.00 2.39 0.00 1.61 3.84 -1.26 -4.19 114.94 119.33 1xhs s ASN 48 Ca 0.00 -1.79 0.00 0.00 0.21 0.00 0.00 52.86 51.28 1xhs s ASN 48 Cb 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 41.25 40.67 1xhs s ASN 48 CO 0.00 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 1xhs n GLY 49 N 4.34 0.49 3.18 1.21 0.00 -1.10 -4.42 105.19 108.89 1xhs n GLY 49 Ca 0.09 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 3.38 -0.29 2.61 2.01 0.72 0.25 115.64 122.32 1xhs s THR 50 Ca 0.00 -1.59 -0.27 0.00 0.31 0.00 0.00 61.69 60.15 1xhs s THR 50 Cb 0.00 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1xhs s THR 50 CO 0.00 -0.38 0.96 -0.69 -0.69 0.00 0.00 174.62 173.82 1xhs s VAL 51 N 1.26 4.66 -0.65 3.82 1.01 0.11 -4.26 120.40 126.36 1xhs s VAL 51 Ca 0.01 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 1xhs s VAL 51 Cb -0.21 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1xhs s VAL 51 CO -0.01 -0.31 1.61 -1.00 0.00 0.00 0.00 175.10 175.39 1xhs s HIS 52 N 3.28 1.94 0.22 5.22 3.76 -0.24 -1.56 115.29 127.91 1xhs s HIS 52 Ca 0.40 0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.79 1xhs s HIS 52 Cb -0.14 -4.31 -0.05 0.00 1.11 0.00 0.00 32.58 29.19 1xhs s HIS 52 CO 0.12 -2.21 0.01 0.20 -0.85 0.00 0.00 174.74 172.01 1xhs s GLY 53 N 6.16 1.49 -0.04 -2.22 0.00 -1.22 -3.85 107.32 107.64 1xhs s GLY 53 Ca 0.54 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.58 1xhs s GLY 53 CO 0.19 -1.62 -0.19 -0.54 0.00 0.00 0.00 173.10 170.95 1xhs s GLU 54 N -3.90 1.83 -0.25 2.90 2.02 -0.71 -0.42 118.70 120.17 1xhs s GLU 54 Ca 0.28 -0.66 -0.23 0.00 0.02 0.00 0.00 54.97 54.38 1xhs s GLU 54 Cb 0.06 -1.62 -0.01 0.00 0.10 0.00 0.00 34.13 32.66 1xhs s GLU 54 CO 0.08 0.30 0.76 0.08 0.02 0.00 0.00 175.26 176.50 1xhs s VAL 55 N -0.10 4.88 0.25 2.63 1.01 -0.07 -1.10 120.40 127.91 1xhs s VAL 55 Ca -0.01 1.39 0.11 0.00 0.00 0.00 0.00 61.98 63.47 1xhs s VAL 55 Cb -0.11 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1xhs s VAL 55 CO 0.02 -0.05 -0.19 -0.31 0.00 0.00 0.00 175.10 174.57 1xhs s TYR 56 N 2.74 2.11 -0.27 5.22 2.02 -0.54 -1.87 117.35 126.76 1xhs s TYR 56 Ca 0.32 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1xhs s TYR 56 Cb -0.15 -0.94 0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1xhs s TYR 56 CO 0.08 0.59 -0.01 0.50 -1.57 0.00 0.00 175.55 175.14 1xhs s ARG 57 N -3.46 2.84 0.50 -0.62 3.00 -0.68 -1.39 118.95 119.14 1xhs s ARG 57 Ca 0.27 -0.99 0.02 0.00 -1.00 0.00 0.00 55.73 54.03 1xhs s ARG 57 Cb -0.04 -3.14 -0.02 0.00 0.00 0.00 0.00 34.95 31.75 1xhs s ARG 57 CO 0.12 -0.45 0.02 0.96 0.00 0.00 0.00 175.30 175.95 1xhs s ILE 58 N 1.37 1.31 0.16 4.11 -5.25 -0.66 -2.19 121.20 120.05 1xhs s ILE 58 Ca -0.00 -1.98 -0.34 0.00 -0.99 0.00 0.00 60.65 57.34 1xhs s ILE 58 Cb -0.17 -2.29 -0.14 0.00 2.95 0.00 0.00 42.46 42.80 1xhs s ILE 58 CO -0.02 0.00 1.49 -0.67 -1.79 0.00 0.00 174.94 173.95 1xhs n ASP 59 N -1.24 2.71 -0.17 4.36 2.03 -1.26 0.13 116.55 123.10 1xhs n ASP 59 Ca -0.16 1.10 -0.10 0.00 0.52 0.00 0.00 54.79 56.15 1xhs n ASP 59 Cb 0.67 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1xhs n ASP 59 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1xhs h ASN 60 N 5.24 0.91 -0.62 1.67 4.21 -1.99 -2.60 115.58 122.40 1xhs h ASN 60 Ca -0.45 -0.33 -0.02 0.00 1.21 0.00 0.00 56.30 56.71 1xhs h ASN 60 Cb 1.28 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 1xhs h ASN 60 CO 0.84 1.02 0.30 0.00 -1.29 0.00 0.00 177.43 178.29 1xhs h ALA 61 N 0.92 0.79 -0.98 -0.83 0.00 -1.98 0.43 119.26 117.61 1xhs h ALA 61 Ca 0.14 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1xhs h ALA 61 Cb 0.58 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1xhs h ALA 61 CO 0.03 0.36 0.61 1.15 0.00 0.00 0.00 179.25 181.40 1xhs h THR 62 N 0.84 0.93 0.22 0.00 2.02 -1.93 0.29 112.91 115.28 1xhs h THR 62 Ca 0.21 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1xhs h THR 62 Cb 0.12 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1xhs h THR 62 CO -0.03 0.18 -0.11 0.25 0.37 0.00 0.00 175.52 176.19 1xhs h LEU 63 N 0.98 -0.25 -1.96 2.58 7.12 -0.99 -0.10 115.31 122.70 1xhs h LEU 63 Ca 0.48 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 1xhs h LEU 63 Cb 0.44 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1xhs h LEU 63 CO -0.26 0.13 0.01 0.00 -0.13 0.00 0.00 178.44 178.19 1xhs h ALA 64 N -0.03 1.97 -0.01 1.25 0.00 -0.60 0.26 119.26 122.10 1xhs h ALA 64 Ca -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1xhs h ALA 64 Cb 0.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xhs h ALA 64 CO 0.05 0.03 -0.29 1.49 0.00 0.00 0.00 179.25 180.53 1xhs h GLU 65 N 0.03 0.22 -0.26 0.00 4.81 -0.26 -2.07 114.58 117.06 1xhs h GLU 65 Ca 0.01 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1xhs h GLU 65 Cb 0.01 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1xhs h GLU 65 CO -0.00 0.92 0.14 1.25 -0.73 0.00 0.00 179.01 180.59 1xhs h LEU 66 N -0.39 0.33 -0.56 1.64 6.46 -0.50 -2.26 115.31 120.02 1xhs h LEU 66 Ca -0.03 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1xhs h LEU 66 Cb 1.02 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1xhs h LEU 66 CO 0.06 0.33 0.20 -0.78 -0.62 0.00 0.00 178.44 177.63 1xhs h ASP 67 N 0.30 0.79 0.34 1.25 3.58 -0.56 0.51 116.42 122.62 1xhs h ASP 67 Ca 0.09 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1xhs h ASP 67 Cb 0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1xhs h ASP 67 CO -0.01 0.77 -0.37 0.00 -2.88 0.00 0.00 179.24 176.75 1xhs h ALA 68 N 1.06 1.35 0.00 -0.78 0.00 -1.31 0.04 119.26 119.61 1xhs h ALA 68 Ca 0.19 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1xhs h ALA 68 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xhs h ALA 68 CO -0.01 0.48 -0.76 -0.07 0.00 0.00 0.00 179.25 178.89 1xhs h LEU 69 N 0.04 0.00 0.15 0.00 3.38 -0.85 -3.39 115.31 114.63 1xhs h LEU 69 Ca 0.00 -0.66 -0.31 0.00 0.09 0.00 0.00 57.88 57.00 1xhs h LEU 69 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xhs h LEU 69 CO 0.05 1.27 -1.59 -0.09 0.09 0.00 0.00 178.44 178.17 1xhs h ARG 70 N -1.00 0.31 0.00 1.13 2.43 -0.06 -3.44 114.38 113.75 1xhs h ARG 70 Ca -0.21 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 1xhs h ARG 70 Cb 1.14 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1xhs h ARG 70 CO -0.13 1.26 0.00 0.25 -1.51 0.00 0.00 179.97 179.84 1xhs n THR 71 N -3.75 0.00 0.00 0.20 -2.24 -0.72 -4.43 114.28 103.34 1xhs n THR 71 Ca -0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1xhs n THR 71 Cb 0.99 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.83 0.00 -0.06 -0.78 0.63 -0.08 -2.76 116.66 112.78 1xhs n ARG 72 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1xhs n ARG 72 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1xhs n ARG 72 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1xhs h GLY 73 N 0.00 0.00 0.00 5.14 0.00 -1.90 -3.49 103.07 102.82 1xhs h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xhs h GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xhs n GLY 74 N 1.68 -1.58 0.13 4.60 0.00 -1.11 -4.98 105.19 103.92 1xhs n GLY 74 Ca -0.06 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.00 -4.59 1.61 4.81 -1.77 -3.45 114.58 111.19 1xhs h GLU 75 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1xhs h GLU 75 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 1xhs h GLU 75 CO 0.00 0.66 -0.73 0.71 -0.73 0.00 0.00 179.01 178.92 1xhs s TYR 76 N -3.34 0.70 -0.29 0.92 2.02 -1.26 -2.36 117.35 113.74 1xhs s TYR 76 Ca -0.00 -0.53 -0.23 0.00 -0.37 0.00 0.00 57.07 55.94 1xhs s TYR 76 Cb 0.11 -0.42 -0.00 0.00 -0.40 0.00 0.00 41.96 41.26 1xhs s TYR 76 CO 0.76 -0.09 0.79 0.00 -1.57 0.00 0.00 175.55 175.44 1xhs s ALA 77 N -1.54 3.57 -0.60 3.71 0.00 0.14 -4.84 121.76 122.19 1xhs s ALA 77 Ca -0.08 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1xhs s ALA 77 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1xhs s ALA 77 CO 0.00 -1.10 1.56 1.03 0.00 0.00 0.00 175.76 177.25 1xhs s ARG 78 N 2.89 3.06 -0.52 0.00 0.52 -1.26 -1.22 118.95 122.41 1xhs s ARG 78 Ca 0.32 0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 55.83 1xhs s ARG 78 Cb -0.14 -4.23 0.13 0.00 0.52 0.00 0.00 34.95 31.23 1xhs s ARG 78 CO 0.11 -2.24 0.44 -1.14 0.02 0.00 0.00 175.30 172.48 1xhs s GLN 79 N 6.08 2.76 -0.38 3.54 0.74 0.16 -4.92 119.66 127.63 1xhs s GLN 79 Ca 0.55 -1.81 -0.29 0.00 0.05 0.00 0.00 55.36 53.87 1xhs s GLN 79 Cb -0.11 -4.11 0.01 0.00 1.10 0.00 0.00 33.01 29.90 1xhs s GLN 79 CO 0.22 -1.26 1.29 -1.17 -0.55 0.00 0.00 175.29 173.82 1xhs s LEU 80 N 1.35 3.73 -0.09 3.68 2.96 -1.26 -0.51 118.68 128.54 1xhs s LEU 80 Ca 0.06 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1xhs s LEU 80 Cb -0.27 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1xhs s LEU 80 CO 0.00 -1.23 -0.00 0.27 -1.32 0.00 0.00 176.35 174.08 1xhs s ILE 81 N 4.70 4.28 -0.37 6.68 -4.36 -0.30 -4.95 121.20 126.87 1xhs s ILE 81 Ca 0.55 -0.26 -0.21 0.00 -0.26 0.00 0.00 60.65 60.48 1xhs s ILE 81 Cb -0.13 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.78 1xhs s ILE 81 CO 0.28 0.59 0.66 -1.10 0.24 0.00 0.00 174.94 175.61 1xhs s GLN 82 N -0.73 3.62 0.36 0.37 -1.52 -1.26 -0.87 119.66 119.64 1xhs s GLN 82 Ca 0.11 0.02 0.07 0.00 -1.95 0.00 0.00 55.36 53.62 1xhs s GLN 82 Cb -0.12 -3.83 -0.01 0.00 -0.22 0.00 0.00 33.01 28.83 1xhs s GLN 82 CO 0.02 -0.80 0.43 0.95 -0.25 0.00 0.00 175.29 175.64 1xhs s THR 83 N 2.79 3.53 -2.00 -0.19 -4.23 -0.90 -4.91 115.64 109.73 1xhs s THR 83 Ca 0.25 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.68 1xhs s THR 83 Cb -0.14 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1xhs s THR 83 CO 0.16 -0.11 0.82 -2.65 -0.54 0.00 0.00 174.62 172.30 1xhs n PRO 84 N -1.59 0.23 -0.06 3.99 -0.02 -1.26 -0.84 135.00 135.45 1xhs n PRO 84 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 1xhs n PRO 84 Cb 0.59 -1.44 0.10 0.00 -0.02 0.00 0.00 33.50 32.73 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 -0.94 0.02 0.00 6.00 4.01 -1.26 -5.05 117.16 119.94 1xhs n TYR 85 Ca 0.05 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 1xhs n TYR 85 Cb 0.02 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.15 1.89 3.63 2.72 0.00 -0.02 -4.99 105.19 107.27 1xhs n GLY 86 Ca 0.12 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.39 -0.03 1.61 0.15 -1.26 -2.12 113.70 107.67 1xhs s SER 87 Ca 0.00 0.70 -0.11 0.00 0.70 0.00 0.00 55.95 57.24 1xhs s SER 87 Cb 0.00 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1xhs s SER 87 CO 0.00 -0.16 0.24 0.00 1.20 0.00 0.00 173.24 174.52 1xhs s ALA 88 N -0.01 -0.60 -0.24 5.45 0.00 -0.05 -4.61 121.76 121.71 1xhs s ALA 88 Ca 0.03 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.00 1xhs s ALA 88 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1xhs s ALA 88 CO -0.06 -0.21 0.91 -1.58 0.00 0.00 0.00 175.76 174.81 1xhs s TRP 89 N -1.01 3.32 -0.27 0.00 0.52 -0.95 -1.15 118.94 119.40 1xhs s TRP 89 Ca -0.11 1.26 -0.08 0.00 0.02 0.00 0.00 56.10 57.19 1xhs s TRP 89 Cb -0.05 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.11 1xhs s TRP 89 CO 0.02 -0.43 0.10 1.41 0.02 0.00 0.00 176.95 178.08 1xhs s MET 90 N 2.96 3.58 -0.43 4.98 1.75 0.34 -2.50 119.30 129.97 1xhs s MET 90 Ca 0.38 -0.54 -0.18 0.00 -1.25 0.00 0.00 55.69 54.10 1xhs s MET 90 Cb -0.15 -3.42 0.03 0.00 2.84 0.00 0.00 34.83 34.12 1xhs s MET 90 CO 0.07 -0.26 0.49 0.71 -0.65 0.00 0.00 175.02 175.38 1xhs s TYR 91 N 1.62 3.14 -0.01 4.11 1.51 -1.26 0.37 117.35 126.83 1xhs s TYR 91 Ca 0.06 -0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 55.64 1xhs s TYR 91 Cb -0.16 -3.03 -0.06 0.00 -0.11 0.00 0.00 41.96 38.61 1xhs s TYR 91 CO 0.05 -0.76 0.41 0.08 -1.11 0.00 0.00 175.55 174.23 1xhs s VAL 92 N 2.29 5.04 0.20 0.71 1.01 -0.36 -3.74 120.40 125.55 1xhs s VAL 92 Ca 0.14 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 1xhs s VAL 92 Cb -0.17 -3.72 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 1xhs s VAL 92 CO 0.14 0.55 1.05 0.00 0.00 0.00 0.00 175.10 176.85 1xhs n TYR 93 N 2.02 1.08 -1.83 5.22 9.36 -0.89 0.23 117.16 132.36 1xhs n TYR 93 Ca -0.13 0.73 0.01 0.00 3.32 0.00 0.00 57.90 61.82 1xhs n TYR 93 Cb 0.52 -2.23 0.01 0.00 -0.63 0.00 0.00 39.34 37.01 1xhs n TYR 93 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1xhs n GLN 94 N 1.41 0.11 0.00 2.98 -0.06 -1.00 -4.55 117.38 116.27 1xhs n GLN 94 Ca 0.14 -1.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.07 1xhs n GLN 94 Cb 0.26 -0.57 0.00 0.00 -4.06 0.00 0.00 30.24 25.86 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 -0.10 0.00 0.00 3.69 5.12 -1.24 -4.79 116.66 119.33 1xhs n ARG 95 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1xhs n ARG 95 Cb 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.97 1xhs n ARG 95 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1xhs n PRO 96 N -0.95 0.00 -3.11 5.56 -0.04 -1.26 -5.06 135.00 130.14 1xhs n PRO 96 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1xhs n PRO 96 Cb 0.00 -0.01 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1xhs n PRO 96 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xhs n VAL 97 N -0.45 -8.77 -3.16 0.52 0.24 -1.26 -5.07 118.33 100.38 1xhs n VAL 97 Ca 0.00 0.42 0.05 0.00 -2.04 0.00 0.00 64.34 62.77 1xhs n VAL 97 Cb 0.00 -6.08 -0.03 0.00 -1.47 0.00 0.00 33.84 26.26 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 -2.48 -0.10 0.00 -1.34 2.15 -1.26 -4.92 116.67 108.72 1xhs s ASP 98 Ca 0.21 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1xhs s ASP 98 Cb -0.04 1.09 0.00 0.00 -0.30 0.00 0.00 42.92 43.67 1xhs s ASP 98 CO 0.80 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 176.39 1xhs n GLY 99 N 5.14 0.69 3.56 2.66 0.00 -1.26 -5.08 105.19 110.91 1xhs n GLY 99 Ca -0.08 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 2.78 -0.14 0.99 1.43 -1.26 -5.04 118.68 117.44 1xhs s LEU 100 Ca 0.00 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 51.87 1xhs s LEU 100 Cb 0.00 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1xhs s LEU 100 CO 0.00 -0.24 -0.03 -0.54 0.23 0.00 0.00 176.35 175.77 1xhs s LYS 101 N -3.64 3.52 -0.21 1.70 1.02 -1.09 -4.97 119.74 116.07 1xhs s LYS 101 Ca 0.33 -0.50 -0.09 0.00 0.02 0.00 0.00 55.97 55.74 1xhs s LYS 101 Cb 0.03 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1xhs s LYS 101 CO 0.17 0.34 0.10 -1.17 -0.92 0.00 0.00 175.35 173.87 1xhs s LEU 102 N 0.09 3.90 -0.64 3.17 2.96 -1.26 -0.05 118.68 126.84 1xhs s LEU 102 Ca -0.00 0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 1xhs s LEU 102 Cb -0.13 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 44.62 1xhs s LEU 102 CO 0.03 0.11 0.89 -0.63 -1.32 0.00 0.00 176.35 175.42 1xhs s ILE 103 N 0.78 4.47 -0.60 6.68 1.01 0.23 -4.92 121.20 128.85 1xhs s ILE 103 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1xhs s ILE 103 Cb -0.13 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.71 1xhs s ILE 103 CO 0.02 -1.36 0.26 -0.62 0.00 0.00 0.00 174.94 173.24 1xhs n GLU 104 N 7.29 0.37 0.00 2.79 1.02 -1.26 -2.63 120.64 128.22 1xhs n GLU 104 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1xhs n GLU 104 Cb 0.44 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1xhs n GLU 104 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xhs n SER 105 N 0.52 0.00 0.00 1.62 7.64 -1.26 -4.64 113.62 117.50 1xhs n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xhs n SER 105 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.83 3.72 0.23 0.00 -1.10 -0.20 105.19 108.68 1xhs n GLY 106 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.41 6.50 0.33 1.61 -1.08 -1.26 -1.08 116.67 119.28 1xhs s ASP 107 Ca 0.00 0.59 0.12 0.00 -0.52 0.00 0.00 52.55 52.74 1xhs s ASP 107 Cb 0.00 -2.21 0.59 0.00 -1.46 0.00 0.00 42.92 39.83 1xhs s ASP 107 CO 0.00 0.06 1.74 -0.25 0.52 0.00 0.00 175.17 177.25 1xhs h TRP 108 N 6.72 0.00 0.00 -5.34 2.91 -1.97 -3.39 115.95 114.88 1xhs h TRP 108 Ca -0.41 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.61 1xhs h TRP 108 Cb 1.17 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1xhs h TRP 108 CO 0.61 0.46 -1.01 1.28 -1.03 0.00 0.00 178.44 178.76 1xhs n LEU 109 N -3.96 0.60 0.00 0.65 4.32 -1.26 -5.00 117.00 112.35 1xhs n LEU 109 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1xhs n LEU 109 Cb 0.49 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1xhs n LEU 109 CO 0.40 0.10 0.00 -0.67 -1.22 0.00 0.00 177.39 176.00 1xhs n ASP 110 N -2.90 0.00 -4.19 -1.43 2.03 -1.26 -4.70 116.55 104.10 1xhs n ASP 110 Ca -0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 1xhs n ASP 110 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.00 3.65 0.00 -0.67 1.85 -1.26 -4.84 116.66 115.39 1xhs n ARG 111 Ca 0.00 -3.96 0.00 0.00 -1.00 0.00 0.00 57.85 52.89 1xhs n ARG 111 Cb 0.00 -2.84 0.00 0.00 -1.05 0.00 0.00 32.46 28.57 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 3.93 0.00 0.00 2.89 2.03 -1.26 -5.24 116.55 118.90 1xhs n ASP 112 Ca 0.34 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1xhs n ASP 112 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1xhs n ASP 112 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57