#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 1.59 -0.03 2.12 0.52 -1.26 -1.20 118.95 120.69 1xhs s ARG 2 Ca 0.00 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1xhs s ARG 2 Cb 0.00 -1.91 0.01 0.00 0.52 0.00 0.00 34.95 33.57 1xhs s ARG 2 CO 0.00 0.47 0.09 -1.50 0.02 0.00 0.00 175.30 174.38 1xhs s ILE 3 N -0.92 0.00 -0.38 1.52 2.07 -1.06 -2.51 121.20 119.92 1xhs s ILE 3 Ca 0.12 -0.01 -0.23 0.00 -1.41 0.00 0.00 60.65 59.13 1xhs s ILE 3 Cb -0.10 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.37 1xhs s ILE 3 CO 0.04 -0.00 0.77 0.12 -1.91 0.00 0.00 174.94 173.95 1xhs s PHE 4 N 0.03 3.10 -0.06 3.50 2.19 -0.84 -2.40 117.98 123.49 1xhs s PHE 4 Ca -0.00 0.46 -0.18 0.00 0.33 0.00 0.00 56.93 57.54 1xhs s PHE 4 Cb -0.01 -3.42 -0.05 0.00 -1.31 0.00 0.00 43.02 38.24 1xhs s PHE 4 CO 0.00 -0.77 0.48 0.08 1.83 0.00 0.00 175.22 176.85 1xhs s VAL 5 N 3.09 5.07 0.00 3.12 1.01 -0.42 -4.83 120.40 127.45 1xhs s VAL 5 Ca 0.30 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1xhs s VAL 5 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1xhs s VAL 5 CO 0.18 0.42 0.00 -1.22 0.00 0.00 0.00 175.10 174.48 1xhs n TYR 6 N 2.93 0.00 -1.82 5.22 4.01 -1.26 -0.86 117.16 125.38 1xhs n TYR 6 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 1xhs n TYR 6 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1xhs n TYR 6 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1xhs s GLY 7 N -0.83 1.39 -0.42 2.72 0.00 -1.26 -4.63 107.32 104.28 1xhs s GLY 7 Ca 0.00 1.46 -0.40 0.00 0.00 0.00 0.00 44.72 45.78 1xhs s GLY 7 CO 0.00 2.82 2.15 1.44 0.00 0.00 0.00 173.10 179.51 1xhs n SER 8 N 4.33 1.48 -1.23 1.64 7.64 -1.26 -4.78 113.62 121.43 1xhs n SER 8 Ca 0.15 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.69 1xhs n SER 8 Cb 0.37 -1.08 0.29 0.00 -1.01 0.00 0.00 64.21 62.77 1xhs n SER 8 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1xhs n LEU 9 N 8.58 3.59 0.00 -3.43 7.94 -1.26 -4.38 117.00 128.05 1xhs n LEU 9 Ca 0.47 -1.80 0.02 0.00 -1.11 0.00 0.00 56.01 53.59 1xhs n LEU 9 Cb 0.10 -0.45 0.10 0.00 0.53 0.00 0.00 43.42 43.69 1xhs n LEU 9 CO 0.82 0.80 0.28 0.54 -1.11 0.00 0.00 177.39 178.71 1xhs n ARG 10 N 1.21 0.33 0.10 1.96 1.74 -1.26 -0.59 116.66 120.16 1xhs n ARG 10 Ca 0.21 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1xhs n ARG 10 Cb 0.61 -1.15 0.46 0.00 -1.02 0.00 0.00 32.46 31.35 1xhs n ARG 10 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1xhs n HIS 11 N -0.65 0.73 -0.97 -1.55 -0.00 -1.26 -4.89 115.22 106.63 1xhs n HIS 11 Ca 0.02 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1xhs n HIS 11 Cb 0.01 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 28.96 1xhs n HIS 11 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xhs n LYS 12 N -2.14 -0.58 -3.22 1.57 4.81 0.24 -4.87 118.16 113.97 1xhs n LYS 12 Ca 0.04 0.15 0.04 0.00 -0.87 0.00 0.00 58.31 57.66 1xhs n LYS 12 Cb 0.30 -3.62 -0.03 0.00 0.02 0.00 0.00 35.03 31.70 1xhs n LYS 12 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1xhs s GLN 13 N -0.64 0.13 -0.10 1.64 -0.44 -1.26 -3.22 119.66 115.77 1xhs s GLN 13 Ca 0.00 0.30 0.02 0.00 -2.50 0.00 0.00 55.36 53.17 1xhs s GLN 13 Cb 0.00 0.17 -0.07 0.00 -1.64 0.00 0.00 33.01 31.47 1xhs s GLN 13 CO 0.00 -0.09 -0.08 0.41 0.50 0.00 0.00 175.29 176.04 1xhs n GLY 14 N 5.04 -0.18 0.21 2.59 0.00 -1.26 -4.83 105.19 106.76 1xhs n GLY 14 Ca -0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1xhs n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xhs n ASN 15 N -2.74 1.79 -3.55 1.61 5.03 -1.26 -5.09 115.26 111.05 1xhs n ASN 15 Ca -0.18 0.31 -0.03 0.00 0.87 0.00 0.00 54.58 55.55 1xhs n ASN 15 Cb 0.71 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1xhs n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1xhs s SER 16 N -6.94 -0.09 0.00 6.41 0.15 -1.26 -4.99 113.70 106.97 1xhs s SER 16 Ca -0.33 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 55.80 1xhs s SER 16 Cb 0.11 0.51 0.14 0.00 -1.71 0.00 0.00 66.02 65.07 1xhs s SER 16 CO 0.43 -0.97 0.64 0.00 1.20 0.00 0.00 173.24 174.55 1xhs n HIS 17 N -0.56 0.00 -0.20 3.44 1.44 -1.26 -4.06 115.22 114.01 1xhs n HIS 17 Ca -0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.79 1xhs n HIS 17 Cb 0.60 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.95 1xhs n HIS 17 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1xhs n TRP 18 N -0.57 0.49 0.00 -1.40 -0.00 -1.26 -4.41 117.44 110.30 1xhs n TRP 18 Ca 0.02 0.72 0.00 0.00 -0.00 0.00 0.00 57.50 58.23 1xhs n TRP 18 Cb 0.01 -1.02 0.00 0.00 -0.00 0.00 0.00 31.31 30.30 1xhs n TRP 18 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1xhs n MET 19 N -4.61 0.00 0.00 5.87 0.00 -1.26 -5.04 117.12 112.08 1xhs n MET 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.87 1xhs n MET 19 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 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 0.00 0.00 0.02 1.12 -1.04 -1.26 -4.64 114.28 108.47 1xhs n THR 20 Ca 0.00 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.05 61.63 1xhs n THR 20 Cb 0.00 1.08 0.25 0.00 -1.82 0.00 0.00 70.33 69.84 1xhs n THR 20 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xhs h ASN 21 N 0.00 0.46 -0.03 8.00 -0.26 -1.90 -3.40 115.58 118.45 1xhs h ASN 21 Ca 0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1xhs h ASN 21 Cb 0.04 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1xhs h ASN 21 CO 0.00 0.64 0.00 0.00 -1.06 0.00 0.00 177.43 177.01 1xhs n ALA 22 N -2.48 0.00 -3.66 -0.83 0.00 -1.26 -4.78 120.51 107.50 1xhs n ALA 22 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1xhs n ALA 22 Cb 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.61 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 0.04 -0.47 0.00 0.74 -0.50 -4.94 119.66 114.53 1xhs s GLN 23 Ca 0.00 0.20 -0.27 0.00 0.05 0.00 0.00 55.36 55.34 1xhs s GLN 23 Cb 0.00 -0.99 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 1xhs s GLN 23 CO 0.00 -0.44 1.95 -1.17 -0.55 0.00 0.00 175.29 175.08 1xhs s LEU 24 N 2.14 3.40 0.05 3.68 2.96 -1.26 -1.26 118.68 128.38 1xhs s LEU 24 Ca 0.04 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 54.67 1xhs s LEU 24 Cb -0.13 -2.93 -0.16 0.00 0.50 0.00 0.00 46.19 43.46 1xhs s LEU 24 CO -0.05 -2.20 1.27 -0.07 -1.32 0.00 0.00 176.35 173.98 1xhs h LEU 25 N 15.89 0.64 0.00 -0.68 3.38 -1.54 -3.49 115.31 129.51 1xhs h LEU 25 Ca -0.29 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1xhs h LEU 25 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xhs h LEU 25 CO 1.13 1.14 0.00 0.61 0.09 0.00 0.00 178.44 181.41 1xhs n GLY 26 N 0.59 3.40 3.77 0.83 0.00 -1.16 -5.03 105.19 107.59 1xhs n GLY 26 Ca -0.07 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 7.04 -0.16 1.61 1.01 -1.26 -1.64 116.67 123.27 1xhs s ASP 27 Ca 0.00 2.13 -0.04 0.00 0.71 0.00 0.00 52.55 55.35 1xhs s ASP 27 Cb 0.00 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.39 1xhs s ASP 27 CO 0.00 -0.30 0.12 0.12 0.21 0.00 0.00 175.17 175.32 1xhs s PHE 28 N -1.42 0.06 -0.17 4.23 5.36 0.14 -4.89 117.98 121.30 1xhs s PHE 28 Ca 0.51 -0.08 -0.17 0.00 -0.96 0.00 0.00 56.93 56.24 1xhs s PHE 28 Cb -0.26 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1xhs s PHE 28 CO 0.34 -0.48 0.43 -1.12 -1.46 0.00 0.00 175.22 172.93 1xhs s SER 29 N 2.19 6.53 -0.13 6.13 0.01 -1.25 -1.64 113.70 125.54 1xhs s SER 29 Ca 0.03 0.63 -0.01 0.00 1.31 0.00 0.00 55.95 57.92 1xhs s SER 29 Cb -0.15 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1xhs s SER 29 CO -0.09 -0.05 -0.09 0.27 0.41 0.00 0.00 173.24 173.69 1xhs s ILE 30 N 1.05 3.41 0.39 1.44 -4.36 -0.24 -4.90 121.20 117.99 1xhs s ILE 30 Ca 0.22 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 59.95 1xhs s ILE 30 Cb -0.15 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.04 1xhs s ILE 30 CO 0.08 0.52 0.77 -1.81 0.24 0.00 0.00 174.94 174.75 1xhs s ASP 31 N 0.20 6.58 -0.58 4.36 1.01 -1.26 -1.12 116.67 125.86 1xhs s ASP 31 Ca -0.05 1.19 -0.01 0.00 0.71 0.00 0.00 52.55 54.39 1xhs s ASP 31 Cb -0.15 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1xhs s ASP 31 CO 0.04 -0.36 0.08 0.59 0.21 0.00 0.00 175.17 175.73 1xhs n ASN 32 N -1.10 -2.86 -3.87 0.27 5.03 0.12 -4.90 115.26 107.96 1xhs n ASN 32 Ca 0.03 -0.04 -0.15 0.00 0.87 0.00 0.00 54.58 55.29 1xhs n ASN 32 Cb 0.54 -2.03 -0.15 0.00 -1.02 0.00 0.00 39.78 37.12 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 -2.51 0.22 0.26 3.10 2.02 -0.99 0.35 117.35 119.81 1xhs s TYR 33 Ca 0.04 -0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.80 1xhs s TYR 33 Cb -0.02 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.29 1xhs s TYR 33 CO 0.05 -0.05 0.19 -0.65 -1.57 0.00 0.00 175.55 173.53 1xhs s GLN 34 N 0.34 2.84 -0.09 -0.62 -0.21 0.28 -3.04 119.66 119.16 1xhs s GLN 34 Ca -0.03 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.25 1xhs s GLN 34 Cb -0.06 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 1xhs s GLN 34 CO -0.01 0.36 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.18 1xhs s LEU 35 N -3.85 2.54 0.20 2.90 2.96 -1.07 -1.99 118.68 120.38 1xhs s LEU 35 Ca 0.34 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1xhs s LEU 35 Cb -0.07 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1xhs s LEU 35 CO 0.25 0.23 0.08 -0.31 -1.32 0.00 0.00 176.35 175.28 1xhs s TYR 36 N -0.04 2.97 -0.12 5.38 2.02 0.29 0.42 117.35 128.27 1xhs s TYR 36 Ca -0.04 -0.11 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 1xhs s TYR 36 Cb -0.14 -1.40 0.06 0.00 -0.40 0.00 0.00 41.96 40.08 1xhs s TYR 36 CO 0.04 0.53 0.27 0.45 -1.57 0.00 0.00 175.55 175.27 1xhs s SER 37 N -3.28 -0.02 -0.13 2.29 0.15 0.04 -1.11 113.70 111.64 1xhs s SER 37 Ca 0.30 0.59 0.16 0.00 0.70 0.00 0.00 55.95 57.70 1xhs s SER 37 Cb -0.09 0.57 0.60 0.00 -1.71 0.00 0.00 66.02 65.40 1xhs s SER 37 CO 0.21 -0.20 1.52 0.00 1.20 0.00 0.00 173.24 175.97 1xhs n LEU 38 N 4.73 4.31 0.00 3.45 -0.00 -1.16 -0.25 117.00 128.08 1xhs n LEU 38 Ca -0.17 -2.61 0.00 0.00 -0.00 0.00 0.00 56.01 53.23 1xhs n LEU 38 Cb 0.52 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xhs n LEU 38 CO 0.09 0.73 0.00 0.61 -0.00 0.00 0.00 177.39 178.82 1xhs n GLY 39 N 0.45 3.12 0.46 1.47 0.00 -1.26 -4.77 105.19 104.66 1xhs n GLY 39 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.93 0.00 -2.83 1.61 8.25 -1.26 -5.00 115.22 115.06 1xhs n HIS 40 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1xhs n HIS 40 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1xhs n HIS 40 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xhs s TYR 41 N -0.79 3.58 -0.55 4.41 1.51 -1.26 -5.03 117.35 119.23 1xhs s TYR 41 Ca 0.00 1.49 -0.19 0.00 -1.01 0.00 0.00 57.07 57.35 1xhs s TYR 41 Cb 0.00 -3.02 0.08 0.00 -0.11 0.00 0.00 41.96 38.90 1xhs s TYR 41 CO 0.00 -0.05 0.68 -1.25 -1.11 0.00 0.00 175.55 173.82 1xhs s PRO 42 N 1.28 3.10 0.20 -1.71 0.05 -1.26 -2.98 135.00 133.66 1xhs s PRO 42 Ca 0.45 -1.04 0.04 0.00 0.05 0.00 0.00 61.00 60.50 1xhs s PRO 42 Cb -0.19 -4.17 -0.03 0.00 0.05 0.00 0.00 34.50 30.16 1xhs s PRO 42 CO 0.21 -1.38 0.30 0.20 0.05 0.00 0.00 177.00 176.38 1xhs s GLY 43 N 3.10 1.48 0.01 0.56 0.00 -0.26 -4.60 107.32 107.61 1xhs s GLY 43 Ca 0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1xhs s GLY 43 CO 0.10 -1.17 -0.00 0.00 0.00 0.00 0.00 173.10 172.03 1xhs s ALA 44 N -1.87 0.03 0.12 3.20 0.00 -1.26 0.10 121.76 122.08 1xhs s ALA 44 Ca 0.34 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1xhs s ALA 44 Cb -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1xhs s ALA 44 CO 0.28 -0.10 0.20 0.14 0.00 0.00 0.00 175.76 176.28 1xhs s VAL 45 N -0.83 0.12 0.68 0.00 -7.23 -0.84 -4.00 120.40 108.29 1xhs s VAL 45 Ca -0.09 -1.34 -0.17 0.00 -1.81 0.00 0.00 61.98 58.57 1xhs s VAL 45 Cb -0.06 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1xhs s VAL 45 CO -0.00 -0.53 1.26 -2.16 -0.31 0.00 0.00 175.10 173.35 1xhs s PRO 46 N -3.92 2.38 0.00 4.82 0.04 -1.26 -0.56 135.00 136.51 1xhs s PRO 46 Ca 0.11 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1xhs s PRO 46 Cb 0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1xhs s PRO 46 CO -0.06 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1xhs n GLY 47 N 0.70 -0.55 2.54 0.56 0.00 0.16 -4.63 105.19 103.97 1xhs n GLY 47 Ca 0.15 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 3.10 0.37 1.61 3.84 -1.26 -4.26 114.94 114.34 1xhs s ASN 48 Ca 0.00 -2.40 -0.13 0.00 0.21 0.00 0.00 52.86 50.54 1xhs s ASN 48 Cb 0.00 -0.61 0.05 0.00 -0.55 0.00 0.00 41.25 40.14 1xhs s ASN 48 CO 0.00 -0.28 0.72 0.61 -2.79 0.00 0.00 177.10 175.36 1xhs n GLY 49 N 3.78 1.15 2.72 1.21 0.00 -1.22 -4.83 105.19 108.00 1xhs n GLY 49 Ca 0.12 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.22 0.64 -0.48 2.61 2.01 -0.81 0.15 115.64 117.54 1xhs s THR 50 Ca 0.16 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.95 1xhs s THR 50 Cb -0.04 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1xhs s THR 50 CO 0.12 -0.45 0.97 -0.69 -0.69 0.00 0.00 174.62 173.88 1xhs s VAL 51 N 1.77 4.40 -1.35 3.82 1.01 -0.28 -3.87 120.40 125.90 1xhs s VAL 51 Ca 0.04 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.72 1xhs s VAL 51 Cb -0.17 -4.48 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 1xhs s VAL 51 CO -0.18 -0.91 2.99 1.41 0.00 0.00 0.00 175.10 178.41 1xhs n HIS 52 N 7.35 2.10 -1.37 5.22 8.25 -0.95 -1.08 115.22 134.74 1xhs n HIS 52 Ca 0.07 -2.83 -0.29 0.00 -0.26 0.00 0.00 57.72 54.41 1xhs n HIS 52 Cb 0.49 -2.28 0.15 0.00 1.12 0.00 0.00 29.99 29.46 1xhs n HIS 52 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xhs s GLY 53 N 1.91 1.58 -0.22 -1.41 0.00 -0.65 -4.71 107.32 103.82 1xhs s GLY 53 Ca 0.68 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.99 1xhs s GLY 53 CO -0.06 0.15 -0.14 -1.83 0.00 0.00 0.00 173.10 171.22 1xhs s GLU 54 N -5.13 2.47 -0.07 2.90 -1.05 -0.04 0.27 118.70 118.05 1xhs s GLU 54 Ca 0.64 -1.03 -0.23 0.00 -0.15 0.00 0.00 54.97 54.20 1xhs s GLU 54 Cb -0.16 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 1xhs s GLU 54 CO 0.55 -0.40 0.69 0.08 0.95 0.00 0.00 175.26 177.13 1xhs s VAL 55 N 1.24 5.05 0.18 1.83 1.01 -0.65 -1.30 120.40 127.77 1xhs s VAL 55 Ca -0.02 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1xhs s VAL 55 Cb -0.16 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1xhs s VAL 55 CO -0.09 0.25 -0.17 -0.31 0.00 0.00 0.00 175.10 174.79 1xhs s TYR 56 N 0.81 1.79 -0.18 5.22 1.51 -1.01 -1.30 117.35 124.19 1xhs s TYR 56 Ca 0.37 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1xhs s TYR 56 Cb -0.18 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1xhs s TYR 56 CO 0.18 0.35 -0.09 0.50 -1.11 0.00 0.00 175.55 175.38 1xhs s ARG 57 N -3.10 3.38 0.45 -0.62 3.52 -0.39 -2.55 118.95 119.64 1xhs s ARG 57 Ca 0.18 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1xhs s ARG 57 Cb -0.04 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 1xhs s ARG 57 CO 0.07 -0.00 0.10 0.96 -0.81 0.00 0.00 175.30 175.62 1xhs s ILE 58 N 0.93 0.71 0.58 4.11 -0.00 -0.34 -1.41 121.20 125.79 1xhs s ILE 58 Ca -0.01 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.45 1xhs s ILE 58 Cb -0.15 -2.25 -0.06 0.00 -0.00 0.00 0.00 42.46 40.00 1xhs s ILE 58 CO -0.00 0.00 0.79 -0.67 -0.00 0.00 0.00 174.94 175.06 1xhs n ASP 59 N -1.36 0.06 -0.03 4.36 2.03 -1.26 0.86 116.55 121.21 1xhs n ASP 59 Ca -0.10 0.79 -0.12 0.00 0.52 0.00 0.00 54.79 55.87 1xhs n ASP 59 Cb 0.65 -1.30 -0.07 0.00 -0.72 0.00 0.00 41.12 39.68 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 0.42 0.19 -0.10 1.67 2.35 -2.01 -2.97 115.58 115.15 1xhs h ASN 60 Ca -0.47 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 54.88 1xhs h ASN 60 Cb 1.38 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 1xhs h ASN 60 CO 0.49 0.46 -0.20 0.00 -1.65 0.00 0.00 177.43 176.53 1xhs h ALA 61 N 0.74 1.16 -0.98 -0.83 0.00 -1.99 -2.35 119.26 115.01 1xhs h ALA 61 Ca 0.03 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1xhs h ALA 61 Cb 0.36 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1xhs h ALA 61 CO 0.01 0.53 0.63 1.79 0.00 0.00 0.00 179.25 182.21 1xhs h THR 62 N 0.45 1.12 0.24 0.00 1.35 -1.95 0.15 112.91 114.27 1xhs h THR 62 Ca 0.07 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1xhs h THR 62 Cb 0.60 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1xhs h THR 62 CO 0.04 0.22 -0.12 0.25 -0.25 0.00 0.00 175.52 175.66 1xhs h LEU 63 N 1.19 -0.28 -2.10 3.87 7.12 -1.51 0.16 115.31 123.77 1xhs h LEU 63 Ca 0.41 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 1xhs h LEU 63 Cb 0.08 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1xhs h LEU 63 CO -0.15 0.06 -0.03 0.00 -0.13 0.00 0.00 178.44 178.19 1xhs h ALA 64 N 0.01 1.77 0.02 1.25 0.00 -1.28 0.35 119.26 121.39 1xhs h ALA 64 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xhs h ALA 64 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xhs h ALA 64 CO 0.05 0.04 -0.01 1.49 0.00 0.00 0.00 179.25 180.82 1xhs h GLU 65 N 0.00 -0.03 -0.98 0.00 4.81 -0.35 -2.65 114.58 115.38 1xhs h GLU 65 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xhs h GLU 65 Cb 0.06 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1xhs h GLU 65 CO 0.00 0.66 0.62 1.25 -0.73 0.00 0.00 179.01 180.81 1xhs h LEU 66 N -0.78 1.14 0.39 1.64 6.46 -0.25 0.44 115.31 124.36 1xhs h LEU 66 Ca -0.00 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1xhs h LEU 66 Cb 0.70 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1xhs h LEU 66 CO 0.01 0.85 -0.44 -0.78 -0.62 0.00 0.00 178.44 177.46 1xhs h ASP 67 N 1.33 -1.21 0.48 1.25 3.58 -1.01 0.31 116.42 121.15 1xhs h ASP 67 Ca 0.35 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1xhs h ASP 67 Cb -0.11 0.41 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1xhs h ASP 67 CO -0.07 -0.58 0.00 0.00 -2.88 0.00 0.00 179.24 175.71 1xhs n ALA 68 N -2.76 1.75 -0.07 -0.78 0.00 -1.00 -0.08 120.51 117.57 1xhs n ALA 68 Ca -0.10 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1xhs n ALA 68 Cb 0.42 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 1xhs n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xhs h LEU 69 N 0.00 0.07 0.16 0.00 3.38 -0.19 -3.42 115.31 115.31 1xhs h LEU 69 Ca 0.00 -0.71 -0.34 0.00 0.09 0.00 0.00 57.88 56.91 1xhs h LEU 69 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xhs h LEU 69 CO 0.00 1.38 -1.74 -0.09 0.09 0.00 0.00 178.44 178.08 1xhs h ARG 70 N -0.86 0.34 -2.27 1.13 9.65 0.05 -3.44 114.38 118.97 1xhs h ARG 70 Ca -0.24 -0.59 -0.46 0.00 -1.10 0.00 0.00 59.98 57.59 1xhs h ARG 70 Cb 1.31 0.22 -0.35 0.00 -1.39 0.00 0.00 29.97 29.76 1xhs h ARG 70 CO -0.10 1.28 -0.76 -0.08 2.80 0.00 0.00 179.97 183.11 1xhs s THR 71 N -2.55 -0.12 -0.08 0.20 -1.32 0.89 -4.75 115.64 107.90 1xhs s THR 71 Ca -0.18 -1.26 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 1xhs s THR 71 Cb 0.05 -0.89 -0.24 0.00 -1.51 0.00 0.00 72.50 69.92 1xhs s THR 71 CO 0.82 -0.76 0.53 0.54 -2.21 0.00 0.00 174.62 173.55 1xhs n ARG 72 N 4.26 0.66 -0.13 7.08 1.74 -1.26 -4.52 116.66 124.50 1xhs n ARG 72 Ca 0.10 0.26 -0.27 0.00 -0.77 0.00 0.00 57.85 57.17 1xhs n ARG 72 Cb 0.42 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 30.02 1xhs n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xhs n GLY 73 N 1.67 -0.41 0.00 -0.13 0.00 -1.26 -4.99 105.19 100.07 1xhs n GLY 73 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.43 0.00 0.27 -0.02 0.00 -1.26 -5.02 105.19 100.58 1xhs n GLY 74 Ca -0.50 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.95 -3.87 1.61 3.07 -1.87 -3.44 114.58 111.02 1xhs h GLU 75 Ca 0.00 -0.41 -0.17 0.00 -0.50 0.00 0.00 59.36 58.27 1xhs h GLU 75 Cb 0.00 -0.03 -0.22 0.00 -0.84 0.00 0.00 28.75 27.66 1xhs h GLU 75 CO 0.00 1.07 -0.67 0.71 -1.40 0.00 0.00 179.01 178.72 1xhs s TYR 76 N -4.66 0.19 -0.01 4.33 2.02 -1.26 -3.53 117.35 114.43 1xhs s TYR 76 Ca -0.12 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 55.97 1xhs s TYR 76 Cb 0.12 -0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1xhs s TYR 76 CO 0.86 -0.18 0.69 0.00 -1.57 0.00 0.00 175.55 175.36 1xhs s ALA 77 N -1.22 3.40 -0.47 3.71 0.00 -0.76 -4.88 121.76 121.53 1xhs s ALA 77 Ca -0.13 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1xhs s ALA 77 Cb -0.08 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1xhs s ALA 77 CO -0.00 0.05 1.30 1.03 0.00 0.00 0.00 175.76 178.13 1xhs s ARG 78 N 0.17 3.58 -0.46 0.00 0.52 -1.26 -1.82 118.95 119.68 1xhs s ARG 78 Ca 0.36 0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 56.20 1xhs s ARG 78 Cb -0.19 -4.00 0.12 0.00 0.52 0.00 0.00 34.95 31.41 1xhs s ARG 78 CO 0.19 -1.56 0.29 -1.14 0.02 0.00 0.00 175.30 173.11 1xhs s GLN 79 N 4.85 2.27 -0.39 3.54 0.74 0.23 -4.97 119.66 125.93 1xhs s GLN 79 Ca 0.54 -1.89 -0.29 0.00 0.05 0.00 0.00 55.36 53.77 1xhs s GLN 79 Cb -0.10 -3.75 0.02 0.00 1.10 0.00 0.00 33.01 30.28 1xhs s GLN 79 CO 0.31 -1.13 1.13 -1.17 -0.55 0.00 0.00 175.29 173.87 1xhs s LEU 80 N 1.07 3.79 -0.15 3.68 2.96 -1.26 -0.29 118.68 128.48 1xhs s LEU 80 Ca 0.08 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.76 1xhs s LEU 80 Cb -0.24 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1xhs s LEU 80 CO -0.03 -1.08 -0.04 0.27 -1.32 0.00 0.00 176.35 174.15 1xhs s ILE 81 N 4.12 3.90 -0.74 6.68 -4.36 -0.04 -4.93 121.20 125.83 1xhs s ILE 81 Ca 0.48 -0.36 -0.25 0.00 -0.26 0.00 0.00 60.65 60.25 1xhs s ILE 81 Cb -0.10 -2.70 0.05 0.00 1.25 0.00 0.00 42.46 40.96 1xhs s ILE 81 CO 0.24 0.51 1.20 -1.58 0.24 0.00 0.00 174.94 175.54 1xhs s GLN 82 N 0.22 3.20 0.38 0.37 -0.44 -1.26 0.01 119.66 122.14 1xhs s GLN 82 Ca -0.02 -0.50 0.02 0.00 -2.50 0.00 0.00 55.36 52.36 1xhs s GLN 82 Cb -0.14 -4.28 -0.01 0.00 -1.64 0.00 0.00 33.01 26.93 1xhs s GLN 82 CO 0.03 -2.05 0.58 0.95 0.50 0.00 0.00 175.29 175.29 1xhs s THR 83 N 5.14 4.43 0.11 -0.34 -4.23 -0.92 -4.89 115.64 114.94 1xhs s THR 83 Ca 0.32 -0.62 0.30 0.00 -1.18 0.00 0.00 61.69 60.52 1xhs s THR 83 Cb -0.10 -3.61 0.31 0.00 1.34 0.00 0.00 72.50 70.44 1xhs s THR 83 CO 0.12 -0.37 1.93 -0.65 -0.54 0.00 0.00 174.62 175.11 1xhs h PRO 84 N 0.65 0.00 -0.16 3.99 0.11 -2.01 0.86 132.00 135.44 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 0.58 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1xhs n TYR 85 N -2.58 0.18 0.00 0.65 4.01 -1.26 -5.04 117.16 113.12 1xhs n TYR 85 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1xhs n TYR 85 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.36 3.17 3.69 2.72 0.00 0.30 -5.02 105.19 111.41 1xhs n GLY 86 Ca 0.17 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 6.65 0.13 1.61 0.01 -1.26 -2.15 113.70 118.68 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 -0.85 -0.25 0.00 0.41 0.00 0.00 173.24 172.56 1xhs s ALA 88 N 2.38 2.22 -0.14 1.44 0.00 0.10 -4.48 121.76 123.28 1xhs s ALA 88 Ca 0.72 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1xhs s ALA 88 Cb -0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1xhs s ALA 88 CO 0.31 0.47 0.91 -1.58 0.00 0.00 0.00 175.76 175.87 1xhs s TRP 89 N -1.17 3.46 -0.13 0.00 0.52 -1.04 -0.86 118.94 119.71 1xhs s TRP 89 Ca 0.12 1.40 -0.02 0.00 0.02 0.00 0.00 56.10 57.63 1xhs s TRP 89 Cb -0.10 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 29.11 1xhs s TRP 89 CO 0.06 -0.23 -0.07 1.41 0.02 0.00 0.00 176.95 178.13 1xhs s MET 90 N 2.09 3.43 -0.36 4.98 1.75 0.60 -2.00 119.30 129.80 1xhs s MET 90 Ca 0.42 -0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 54.21 1xhs s MET 90 Cb -0.17 -2.77 0.04 0.00 2.84 0.00 0.00 34.83 34.77 1xhs s MET 90 CO 0.14 0.30 0.15 0.71 -0.65 0.00 0.00 175.02 175.68 1xhs s TYR 91 N 0.16 3.26 -0.08 4.11 2.02 -1.26 0.76 117.35 126.32 1xhs s TYR 91 Ca -0.04 -1.30 -0.29 0.00 -0.37 0.00 0.00 57.07 55.07 1xhs s TYR 91 Cb -0.14 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1xhs s TYR 91 CO 0.04 -0.72 0.99 0.08 -1.57 0.00 0.00 175.55 174.36 1xhs s VAL 92 N 1.45 4.82 -0.43 0.71 1.01 -0.76 -4.15 120.40 123.05 1xhs s VAL 92 Ca -0.00 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.73 1xhs s VAL 92 Cb -0.20 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 1xhs s VAL 92 CO 0.04 0.05 2.37 0.00 0.00 0.00 0.00 175.10 177.56 1xhs n TYR 93 N 4.69 1.56 0.59 5.22 4.19 -1.26 -1.83 117.16 130.31 1xhs n TYR 93 Ca 0.08 0.06 0.12 0.00 3.31 0.00 0.00 57.90 61.47 1xhs n TYR 93 Cb 0.49 -2.66 0.21 0.00 0.49 0.00 0.00 39.34 37.88 1xhs n TYR 93 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1xhs n GLN 94 N 8.92 0.28 -2.30 2.98 -0.06 -1.23 -4.80 117.38 121.17 1xhs n GLN 94 Ca 0.36 0.10 -0.27 0.00 -2.00 0.00 0.00 57.00 55.19 1xhs n GLN 94 Cb 0.50 -1.70 0.03 0.00 -4.06 0.00 0.00 30.24 25.02 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 -3.15 2.97 -0.33 3.69 0.52 -1.25 -4.96 118.95 116.45 1xhs s ARG 95 Ca 0.07 0.12 -0.39 0.00 -0.52 0.00 0.00 55.73 55.01 1xhs s ARG 95 Cb 0.13 -2.23 -0.15 0.00 0.52 0.00 0.00 34.95 33.23 1xhs s ARG 95 CO 0.70 -0.72 1.94 -2.30 0.02 0.00 0.00 175.30 174.94 1xhs n PRO 96 N -2.65 1.00 0.00 3.54 -0.02 -1.26 -4.81 135.00 130.80 1xhs n PRO 96 Ca 0.05 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1xhs n PRO 96 Cb 0.57 -2.16 0.56 0.00 -0.02 0.00 0.00 33.50 32.45 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 5.69 0.00 0.16 -1.45 0.24 -1.26 -3.87 118.33 117.83 1xhs n VAL 97 Ca 0.35 -0.09 0.06 0.00 -2.04 0.00 0.00 64.34 62.61 1xhs n VAL 97 Cb 0.14 0.07 0.31 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.76 0.28 -1.22 -1.34 2.03 -1.26 -1.68 116.55 112.60 1xhs n ASP 98 Ca 0.15 0.62 0.08 0.00 0.52 0.00 0.00 54.79 56.16 1xhs n ASP 98 Cb 0.29 -0.66 0.30 0.00 -0.72 0.00 0.00 41.12 40.33 1xhs n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xhs n GLY 99 N -1.11 3.29 3.62 0.27 0.00 -1.25 -4.96 105.19 105.06 1xhs n GLY 99 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.24 2.75 -0.04 0.99 1.02 -0.68 -4.86 118.68 115.63 1xhs s LEU 100 Ca 0.44 -1.40 -0.19 0.00 0.02 0.00 0.00 54.13 53.00 1xhs s LEU 100 Cb 0.31 -0.83 -0.05 0.00 0.02 0.00 0.00 46.19 45.64 1xhs s LEU 100 CO 0.16 -0.51 0.53 -0.54 0.02 0.00 0.00 176.35 176.02 1xhs s LYS 101 N -3.74 4.27 -0.30 1.70 1.02 0.66 -4.85 119.74 118.49 1xhs s LYS 101 Ca 0.32 0.61 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 1xhs s LYS 101 Cb 0.09 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1xhs s LYS 101 CO 0.16 0.35 0.18 -1.17 -0.92 0.00 0.00 175.35 173.95 1xhs s LEU 102 N -0.08 4.12 -0.70 3.17 2.96 -1.26 -0.78 118.68 126.11 1xhs s LEU 102 Ca 0.29 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1xhs s LEU 102 Cb -0.17 -2.06 0.16 0.00 0.50 0.00 0.00 46.19 44.62 1xhs s LEU 102 CO 0.15 -0.15 0.72 -0.63 -1.32 0.00 0.00 176.35 175.12 1xhs s ILE 103 N 1.68 5.20 0.64 6.68 1.01 0.17 -4.88 121.20 131.69 1xhs s ILE 103 Ca 0.06 -1.73 0.35 0.00 0.00 0.00 0.00 60.65 59.33 1xhs s ILE 103 Cb -0.17 -4.48 0.38 0.00 0.01 0.00 0.00 42.46 38.21 1xhs s ILE 103 CO 0.08 -1.07 2.18 1.05 0.00 0.00 0.00 174.94 177.18 1xhs h GLU 104 N 8.56 0.00 -0.11 2.79 4.11 -1.95 -2.55 114.58 125.44 1xhs h GLU 104 Ca -0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 1xhs h GLU 104 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1xhs h GLU 104 CO 0.96 0.00 -0.16 0.77 0.07 0.00 0.00 179.01 180.65 1xhs h SER 105 N 0.00 0.32 0.00 3.06 0.02 -1.92 -3.41 113.55 111.62 1xhs h SER 105 Ca 0.03 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1xhs h SER 105 Cb 0.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1xhs h SER 105 CO -0.00 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1xhs n GLY 106 N 0.33 0.53 3.99 -3.77 0.00 -0.98 -1.93 105.19 103.35 1xhs n GLY 106 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1xhs n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhs s ASP 107 N -2.96 5.93 -0.27 1.61 1.11 -1.26 -2.24 116.67 118.59 1xhs s ASP 107 Ca 0.00 -0.16 -0.14 0.00 0.18 0.00 0.00 52.55 52.44 1xhs s ASP 107 Cb 0.00 -1.21 -0.13 0.00 1.07 0.00 0.00 42.92 42.65 1xhs s ASP 107 CO 0.00 -0.49 -0.29 -2.67 1.18 0.00 0.00 175.17 172.90 1xhs n TRP 108 N -1.71 0.12 -3.44 4.23 2.14 -1.26 -4.71 117.44 112.80 1xhs n TRP 108 Ca 0.01 0.05 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 1xhs n TRP 108 Cb 0.58 -1.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.05 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 -4.19 5.08 0.00 5.67 4.77 -1.26 -4.94 117.00 122.13 1xhs n LEU 109 Ca -0.52 -5.07 0.00 0.00 -0.03 0.00 0.00 56.01 50.39 1xhs n LEU 109 Cb 0.88 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1xhs n LEU 109 CO 0.07 1.43 0.05 -0.67 -1.33 0.00 0.00 177.39 176.93 1xhs n ASP 110 N 2.53 0.00 -0.65 -1.43 2.03 -1.26 -5.05 116.55 112.72 1xhs n ASP 110 Ca 0.23 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1xhs n ASP 110 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.18 -1.84 -0.33 -0.67 5.12 -1.26 -4.64 116.66 112.86 1xhs n ARG 111 Ca 0.00 1.38 0.04 0.00 -1.93 0.00 0.00 57.85 57.34 1xhs n ARG 111 Cb 0.00 -1.57 0.11 0.00 -1.16 0.00 0.00 32.46 29.84 1xhs n ARG 111 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1xhs n ASP 112 N -1.09 -0.37 0.00 0.55 5.75 -1.26 -5.26 116.55 114.87 1xhs n ASP 112 Ca 0.00 1.57 0.00 0.00 -0.01 0.00 0.00 54.79 56.35 1xhs n ASP 112 Cb 0.03 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1xhs n ASP 112 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26