#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 2.20 0.03 2.12 0.52 -1.26 -0.13 118.95 122.43 1xhs s ARG 2 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1xhs s ARG 2 Cb 0.00 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1xhs s ARG 2 CO 0.00 0.24 -0.06 -1.50 0.02 0.00 0.00 175.30 174.00 1xhs s ILE 3 N 0.11 0.42 -0.40 1.52 2.07 -0.51 -2.49 121.20 121.91 1xhs s ILE 3 Ca -0.08 -0.88 -0.20 0.00 -1.41 0.00 0.00 60.65 58.09 1xhs s ILE 3 Cb -0.14 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 41.99 1xhs s ILE 3 CO 0.04 -0.32 0.59 0.12 -1.91 0.00 0.00 174.94 173.46 1xhs s PHE 4 N -1.16 3.12 -0.19 3.50 5.36 -1.05 -1.70 117.98 125.86 1xhs s PHE 4 Ca -0.09 0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 55.77 1xhs s PHE 4 Cb -0.08 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 1xhs s PHE 4 CO 0.00 -0.73 0.33 0.08 -1.46 0.00 0.00 175.22 173.44 1xhs s VAL 5 N 2.62 5.26 0.00 3.12 1.01 0.15 -4.82 120.40 127.74 1xhs s VAL 5 Ca 0.21 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1xhs s VAL 5 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xhs s VAL 5 CO 0.16 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.58 1xhs n TYR 6 N 4.12 0.00 -2.17 5.22 4.11 -1.26 -0.29 117.16 126.90 1xhs n TYR 6 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.49 1xhs n TYR 6 Cb 0.51 0.14 -0.05 0.00 -0.00 0.00 0.00 39.34 39.95 1xhs n TYR 6 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1xhs s GLY 7 N -3.88 0.45 -0.12 -7.48 0.00 -1.26 -4.46 107.32 90.58 1xhs s GLY 7 Ca 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 44.72 42.39 1xhs s GLY 7 CO 0.00 3.39 0.09 -1.14 0.00 0.00 0.00 173.10 175.44 1xhs n SER 8 N 13.22 -4.98 -0.09 1.64 3.41 -1.26 -4.70 113.62 120.85 1xhs n SER 8 Ca 0.45 1.09 0.13 0.00 -0.26 0.00 0.00 58.87 60.29 1xhs n SER 8 Cb 0.46 -3.53 0.52 0.00 -0.26 0.00 0.00 64.21 61.40 1xhs n SER 8 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xhs h LEU 9 N 4.15 0.34 0.86 1.04 -0.00 -1.91 -1.89 115.31 117.90 1xhs h LEU 9 Ca -0.20 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.65 1xhs h LEU 9 Cb 0.62 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1xhs h LEU 9 CO 0.02 0.20 -0.41 0.03 -0.00 0.00 0.00 178.44 178.27 1xhs h ARG 10 N 0.37 -1.11 0.00 0.17 3.08 -1.98 -3.45 114.38 111.46 1xhs h ARG 10 Ca 0.29 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1xhs h ARG 10 Cb 0.65 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1xhs h ARG 10 CO -0.08 -0.74 0.00 1.58 -1.07 0.00 0.00 179.97 179.66 1xhs n HIS 11 N -5.52 0.00 0.00 3.04 -0.00 -0.71 -4.29 115.22 107.73 1xhs n HIS 11 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1xhs n HIS 11 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1xhs n HIS 11 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1xhs n LYS 12 N 0.00 0.00 0.00 1.57 4.81 -1.26 -5.15 118.16 118.13 1xhs n LYS 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xhs n LYS 12 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xhs n LYS 12 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xhs n GLN 13 N 0.00 2.65 0.00 1.64 0.00 -1.26 -4.79 117.38 115.62 1xhs n GLN 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1xhs n GLN 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1xhs n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xhs n GLY 14 N 3.32 2.89 0.00 2.61 0.00 -1.26 -4.62 105.19 108.12 1xhs n GLY 14 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1xhs n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhs n ASN 15 N 0.52 0.69 -4.80 1.61 0.23 -1.26 -5.06 115.26 107.19 1xhs n ASN 15 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 1xhs n ASN 15 Cb 0.00 0.04 0.12 0.00 -2.08 0.00 0.00 39.78 37.86 1xhs n ASN 15 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1xhs s SER 16 N -2.29 3.74 0.00 0.53 0.01 -1.26 -4.90 113.70 109.53 1xhs s SER 16 Ca 0.00 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.25 1xhs s SER 16 Cb 0.00 -1.57 0.05 0.00 0.21 0.00 0.00 66.02 64.71 1xhs s SER 16 CO 0.00 -2.41 0.56 1.41 0.41 0.00 0.00 173.24 173.21 1xhs n HIS 17 N -3.67 0.00 0.14 2.43 8.25 -1.26 -3.20 115.22 117.91 1xhs n HIS 17 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1xhs n HIS 17 Cb 0.59 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.81 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 0.00 0.00 4.41 2.91 -1.90 -3.32 115.95 118.05 1xhs h TRP 18 Ca 0.00 0.00 -0.38 0.00 1.13 0.00 0.00 58.89 59.64 1xhs h TRP 18 Cb 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 28.58 1xhs h TRP 18 CO 0.00 0.57 -2.44 -0.12 -1.03 0.00 0.00 178.44 175.42 1xhs n MET 19 N -3.40 0.64 -2.78 2.65 1.56 -1.19 -4.74 117.12 109.85 1xhs n MET 19 Ca 0.01 0.14 -0.41 0.00 -0.27 0.00 0.00 57.70 57.17 1xhs n MET 19 Cb 0.69 -1.51 -0.04 0.00 2.15 0.00 0.00 33.22 34.51 1xhs n MET 19 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1xhs s THR 20 N -2.51 4.58 0.00 1.12 2.01 -1.25 -3.37 115.64 116.23 1xhs s THR 20 Ca -0.33 1.97 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1xhs s THR 20 Cb 0.09 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1xhs s THR 20 CO 0.60 0.32 0.00 0.59 -0.69 0.00 0.00 174.62 175.43 1xhs n ASN 21 N 2.87 -1.13 -4.76 3.53 3.02 -1.26 -4.57 115.26 112.96 1xhs n ASN 21 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 1xhs n ASN 21 Cb 0.50 -0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xhs s ALA 22 N -2.89 3.66 0.01 5.41 0.00 -1.22 -3.16 121.76 123.57 1xhs s ALA 22 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1xhs s ALA 22 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1xhs s ALA 22 CO 0.00 0.39 -0.05 1.14 0.00 0.00 0.00 175.76 177.24 1xhs s GLN 23 N -0.32 0.37 0.01 0.00 -2.07 0.70 -4.98 119.66 113.36 1xhs s GLN 23 Ca 0.10 -0.35 -0.30 0.00 -1.82 0.00 0.00 55.36 52.99 1xhs s GLN 23 Cb -0.12 -0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 31.51 1xhs s GLN 23 CO 0.01 0.06 0.99 -1.17 -1.32 0.00 0.00 175.29 173.87 1xhs s LEU 24 N -0.63 4.37 -0.18 2.60 2.96 -1.26 -0.45 118.68 126.09 1xhs s LEU 24 Ca -0.03 1.69 -0.09 0.00 -0.22 0.00 0.00 54.13 55.48 1xhs s LEU 24 Cb -0.05 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.86 1xhs s LEU 24 CO -0.00 -0.27 0.14 0.18 -1.32 0.00 0.00 176.35 175.08 1xhs n LEU 25 N 3.87 2.49 0.00 -0.68 4.77 -0.27 -4.90 117.00 122.28 1xhs n LEU 25 Ca 0.06 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1xhs n LEU 25 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1xhs n LEU 25 CO 0.52 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1xhs n GLY 26 N 1.86 0.46 3.82 -0.72 0.00 -1.09 -5.03 105.19 104.49 1xhs n GLY 26 Ca -0.37 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1xhs n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhs s ASP 27 N 0.00 7.02 -0.42 1.61 2.15 -1.26 -1.26 116.67 124.52 1xhs s ASP 27 Ca 0.00 1.58 0.05 0.00 0.43 0.00 0.00 52.55 54.61 1xhs s ASP 27 Cb 0.00 -2.49 0.17 0.00 -0.30 0.00 0.00 42.92 40.30 1xhs s ASP 27 CO 0.00 -0.18 0.50 0.12 -0.17 0.00 0.00 175.17 175.44 1xhs s PHE 28 N -1.87 -0.66 -0.14 -5.34 5.36 0.29 -4.88 117.98 110.74 1xhs s PHE 28 Ca 0.54 -0.79 -0.27 0.00 -0.96 0.00 0.00 56.93 55.45 1xhs s PHE 28 Cb -0.13 -0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1xhs s PHE 28 CO 0.18 -1.06 0.90 -1.12 -1.46 0.00 0.00 175.22 172.66 1xhs s SER 29 N 1.17 7.07 -0.17 6.13 0.01 -1.26 -2.77 113.70 123.89 1xhs s SER 29 Ca 0.22 1.32 -0.02 0.00 1.31 0.00 0.00 55.95 58.78 1xhs s SER 29 Cb -0.07 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1xhs s SER 29 CO -0.06 -0.41 -0.09 0.27 0.41 0.00 0.00 173.24 173.35 1xhs s ILE 30 N 2.07 3.27 0.45 1.44 -4.36 0.13 -4.87 121.20 119.32 1xhs s ILE 30 Ca 0.42 -0.56 -0.09 0.00 -0.26 0.00 0.00 60.65 60.16 1xhs s ILE 30 Cb -0.17 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1xhs s ILE 30 CO 0.14 0.49 0.80 1.51 0.24 0.00 0.00 174.94 178.12 1xhs s ASP 31 N 0.75 6.43 -0.74 4.36 -4.77 -1.26 0.09 116.67 121.52 1xhs s ASP 31 Ca -0.04 1.11 -0.01 0.00 -3.30 0.00 0.00 52.55 50.31 1xhs s ASP 31 Cb -0.15 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 1xhs s ASP 31 CO 0.02 -0.49 0.18 0.59 0.70 0.00 0.00 175.17 176.16 1xhs n ASN 32 N -1.70 -3.48 -4.22 2.11 3.02 0.34 -4.92 115.26 106.41 1xhs n ASN 32 Ca 0.02 -0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1xhs n ASN 32 Cb 0.54 -2.52 -0.10 0.00 -0.61 0.00 0.00 39.78 37.09 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 -2.70 1.15 0.02 3.10 1.51 -0.85 -0.37 117.35 119.21 1xhs s TYR 33 Ca 0.09 -1.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.07 1xhs s TYR 33 Cb -0.04 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1xhs s TYR 33 CO 0.11 -0.31 -0.06 -0.65 -1.11 0.00 0.00 175.55 173.53 1xhs s GLN 34 N -3.97 0.45 -0.16 -0.62 -0.21 0.16 -2.40 119.66 112.91 1xhs s GLN 34 Ca 0.26 -0.44 -0.06 0.00 0.02 0.00 0.00 55.36 55.14 1xhs s GLN 34 Cb 0.07 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.71 1xhs s GLN 34 CO 0.04 0.08 0.03 -1.17 -2.12 0.00 0.00 175.29 172.15 1xhs s LEU 35 N -0.79 3.65 -0.20 2.90 2.96 -1.02 -0.95 118.68 125.23 1xhs s LEU 35 Ca -0.04 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1xhs s LEU 35 Cb -0.06 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1xhs s LEU 35 CO 0.00 0.20 0.19 -0.31 -1.32 0.00 0.00 176.35 175.11 1xhs s TYR 36 N 0.20 3.40 -0.18 5.38 2.02 0.19 0.74 117.35 129.09 1xhs s TYR 36 Ca 0.02 0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1xhs s TYR 36 Cb -0.13 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 1xhs s TYR 36 CO 0.01 0.21 -0.04 -1.54 -1.57 0.00 0.00 175.55 172.62 1xhs s SER 37 N 0.58 4.61 0.00 2.29 1.04 0.68 -0.28 113.70 122.63 1xhs s SER 37 Ca 0.10 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1xhs s SER 37 Cb -0.12 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1xhs s SER 37 CO 0.01 0.10 0.81 0.00 0.98 0.00 0.00 173.24 175.15 1xhs n LEU 38 N 3.99 0.00 0.00 2.42 -0.00 -1.26 -2.49 117.00 119.66 1xhs n LEU 38 Ca -0.18 -0.68 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 1xhs n LEU 38 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1xhs n LEU 38 CO 0.31 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.52 1xhs n GLY 39 N 0.00 1.68 0.20 1.47 0.00 -1.26 -4.51 105.19 102.77 1xhs n GLY 39 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 0.58 -0.67 1.61 6.17 -2.01 -3.42 115.15 117.41 1xhs h HIS 40 Ca 0.00 0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.27 1xhs h HIS 40 Cb 0.00 -0.19 -0.21 0.00 2.52 0.00 0.00 27.41 29.52 1xhs h HIS 40 CO 0.00 0.36 -0.02 1.52 0.71 0.00 0.00 177.93 180.49 1xhs s TYR 41 N -6.15 -0.98 0.45 5.26 -0.85 -1.26 -5.15 117.35 108.66 1xhs s TYR 41 Ca -0.13 1.10 -0.25 0.00 -0.52 0.00 0.00 57.07 57.26 1xhs s TYR 41 Cb 0.12 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.74 1xhs s TYR 41 CO 0.73 -0.53 1.43 -2.14 -1.52 0.00 0.00 175.55 173.53 1xhs s PRO 42 N 2.88 3.68 0.51 -3.49 0.02 -1.26 -4.61 135.00 132.74 1xhs s PRO 42 Ca 0.07 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1xhs s PRO 42 Cb -0.12 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.73 1xhs s PRO 42 CO -0.15 -0.83 0.01 0.20 -0.33 0.00 0.00 177.00 175.89 1xhs s GLY 43 N -0.49 3.03 -0.01 0.52 0.00 0.62 -4.27 107.32 106.72 1xhs s GLY 43 Ca 0.61 -0.36 -0.21 0.00 0.00 0.00 0.00 44.72 44.76 1xhs s GLY 43 CO 0.57 -2.19 0.46 0.00 0.00 0.00 0.00 173.10 171.94 1xhs s ALA 44 N -2.89 -1.19 0.20 3.20 0.00 -1.25 0.53 121.76 120.36 1xhs s ALA 44 Ca 0.06 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 1xhs s ALA 44 Cb 0.01 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1xhs s ALA 44 CO 0.03 -0.35 0.47 0.14 0.00 0.00 0.00 175.76 176.05 1xhs s VAL 45 N -1.59 0.03 0.49 0.00 -7.23 -0.12 -3.58 120.40 108.39 1xhs s VAL 45 Ca -0.11 -1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 1xhs s VAL 45 Cb -0.02 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 1xhs s VAL 45 CO 0.04 -0.14 1.10 -2.84 -0.31 0.00 0.00 175.10 172.96 1xhs s PRO 46 N -3.91 3.66 0.00 4.82 0.02 -1.26 0.35 135.00 138.67 1xhs s PRO 46 Ca 0.13 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1xhs s PRO 46 Cb -0.00 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1xhs s PRO 46 CO -0.00 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1xhs n GLY 47 N 0.11 -0.44 2.59 0.52 0.00 0.50 -4.65 105.19 103.82 1xhs n GLY 47 Ca 0.09 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.00 3.38 0.00 1.61 -0.87 -1.26 -4.06 114.94 109.73 1xhs s ASN 48 Ca 0.00 -2.20 0.00 0.00 -1.57 0.00 0.00 52.86 49.09 1xhs s ASN 48 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.25 40.56 1xhs s ASN 48 CO 0.00 -0.32 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 1xhs n GLY 49 N 4.06 -1.14 3.07 0.66 0.00 -1.01 -4.83 105.19 106.00 1xhs n GLY 49 Ca 0.08 -0.98 -0.32 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 -2.18 1.82 -0.37 2.61 2.01 0.41 0.13 115.64 120.07 1xhs s THR 50 Ca 0.00 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 1xhs s THR 50 Cb 0.00 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.88 1xhs s THR 50 CO 0.00 0.49 0.17 -0.69 -0.69 0.00 0.00 174.62 173.91 1xhs s VAL 51 N 1.39 4.18 -0.08 3.82 1.01 0.11 -1.88 120.40 128.95 1xhs s VAL 51 Ca 0.05 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1xhs s VAL 51 Cb -0.13 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1xhs s VAL 51 CO -0.12 -0.27 1.55 -2.28 0.00 0.00 0.00 175.10 173.99 1xhs s HIS 52 N 1.46 2.21 0.02 5.22 5.65 -0.22 0.17 115.29 129.79 1xhs s HIS 52 Ca 0.01 0.41 0.05 0.00 0.25 0.00 0.00 55.06 55.78 1xhs s HIS 52 Cb -0.20 -3.81 -0.02 0.00 -1.18 0.00 0.00 32.58 27.37 1xhs s HIS 52 CO 0.04 -3.28 -0.16 0.20 -0.65 0.00 0.00 174.74 170.90 1xhs s GLY 53 N 2.99 0.81 -0.45 1.59 0.00 -1.11 -4.82 107.32 106.34 1xhs s GLY 53 Ca 0.68 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 1xhs s GLY 53 CO 0.26 -0.70 0.41 -0.54 0.00 0.00 0.00 173.10 172.52 1xhs s GLU 54 N -0.77 3.02 -0.31 2.90 0.41 0.61 -0.55 118.70 124.02 1xhs s GLU 54 Ca 0.05 -1.07 -0.29 0.00 -0.41 0.00 0.00 54.97 53.25 1xhs s GLU 54 Cb -0.07 -4.05 0.02 0.00 -1.78 0.00 0.00 34.13 28.25 1xhs s GLU 54 CO 0.00 -0.94 1.06 0.08 -0.49 0.00 0.00 175.26 174.98 1xhs s VAL 55 N 1.89 4.54 0.14 2.63 1.01 -0.39 -0.67 120.40 129.55 1xhs s VAL 55 Ca 0.07 1.77 0.10 0.00 0.00 0.00 0.00 61.98 63.93 1xhs s VAL 55 Cb -0.21 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1xhs s VAL 55 CO 0.10 -0.43 -0.23 -0.31 0.00 0.00 0.00 175.10 174.22 1xhs s TYR 56 N 3.57 2.38 -0.37 5.22 1.51 -0.69 -1.11 117.35 127.85 1xhs s TYR 56 Ca 0.45 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 56.10 1xhs s TYR 56 Cb -0.13 -1.26 0.06 0.00 -0.11 0.00 0.00 41.96 40.52 1xhs s TYR 56 CO 0.14 0.38 0.17 0.50 -1.11 0.00 0.00 175.55 175.63 1xhs s ARG 57 N -2.20 2.59 0.41 -0.62 3.00 0.40 -1.43 118.95 121.10 1xhs s ARG 57 Ca 0.16 -1.31 0.07 0.00 -1.00 0.00 0.00 55.73 53.66 1xhs s ARG 57 Cb -0.10 -3.59 -0.06 0.00 0.00 0.00 0.00 34.95 31.20 1xhs s ARG 57 CO 0.08 -0.79 0.16 0.96 0.00 0.00 0.00 175.30 175.71 1xhs s ILE 58 N 1.40 2.27 0.28 4.11 -4.36 0.82 -0.22 121.20 125.51 1xhs s ILE 58 Ca 0.01 -1.74 -0.29 0.00 -0.26 0.00 0.00 60.65 58.37 1xhs s ILE 58 Cb -0.21 -3.00 -0.13 0.00 1.25 0.00 0.00 42.46 40.37 1xhs s ILE 58 CO 0.02 -0.00 1.25 -0.67 0.24 0.00 0.00 174.94 175.78 1xhs n ASP 59 N -1.20 2.31 -0.17 4.36 2.03 -1.19 -1.31 116.55 121.39 1xhs n ASP 59 Ca -0.02 1.18 -0.08 0.00 0.52 0.00 0.00 54.79 56.39 1xhs n ASP 59 Cb 0.65 -1.40 0.01 0.00 -0.72 0.00 0.00 41.12 39.66 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 3.02 0.68 -0.12 1.67 4.21 -1.94 -2.65 115.58 120.44 1xhs h ASN 60 Ca -0.44 -0.18 -0.07 0.00 1.21 0.00 0.00 56.30 56.82 1xhs h ASN 60 Cb 1.30 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.31 1xhs h ASN 60 CO 0.67 0.67 -0.13 0.00 -1.29 0.00 0.00 177.43 177.35 1xhs h ALA 61 N 1.03 1.25 -0.30 -0.83 0.00 -2.00 -0.55 119.26 117.87 1xhs h ALA 61 Ca 0.16 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xhs h ALA 61 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xhs h ALA 61 CO -0.01 0.49 0.23 1.15 0.00 0.00 0.00 179.25 181.10 1xhs h THR 62 N 0.44 0.80 -0.13 0.00 2.02 -1.85 -0.25 112.91 113.94 1xhs h THR 62 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1xhs h THR 62 Cb 0.49 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1xhs h THR 62 CO 0.03 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.16 1xhs h LEU 63 N 0.00 0.23 -1.76 2.58 5.85 -0.84 0.44 115.31 121.80 1xhs h LEU 63 Ca 0.14 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1xhs h LEU 63 Cb 0.59 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1xhs h LEU 63 CO -0.00 0.50 0.34 0.00 -0.34 0.00 0.00 178.44 178.94 1xhs h ALA 64 N 0.73 2.11 0.15 1.25 0.00 -0.97 0.66 119.26 123.19 1xhs h ALA 64 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xhs h ALA 64 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xhs h ALA 64 CO 0.01 -0.23 -0.07 1.49 0.00 0.00 0.00 179.25 180.45 1xhs h GLU 65 N 0.27 -0.19 -0.62 0.00 4.81 -0.61 -2.79 114.58 115.45 1xhs h GLU 65 Ca 0.23 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1xhs h GLU 65 Cb 0.56 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1xhs h GLU 65 CO -0.05 0.23 0.26 1.25 -0.73 0.00 0.00 179.01 179.97 1xhs h LEU 66 N -0.91 0.82 0.65 1.64 6.46 0.26 -1.53 115.31 122.69 1xhs h LEU 66 Ca -0.02 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1xhs h LEU 66 Cb 0.51 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1xhs h LEU 66 CO 0.03 0.72 -0.31 -0.78 -0.62 0.00 0.00 178.44 177.48 1xhs h ASP 67 N 0.89 -0.74 -0.59 1.25 3.58 0.21 0.13 116.42 121.14 1xhs h ASP 67 Ca 0.21 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.81 1xhs h ASP 67 Cb 0.15 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1xhs h ASP 67 CO -0.02 -0.51 0.40 0.00 -2.88 0.00 0.00 179.24 176.23 1xhs h ALA 68 N -0.56 2.20 0.38 -0.78 0.00 -1.28 0.13 119.26 119.35 1xhs h ALA 68 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xhs h ALA 68 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xhs h ALA 68 CO 0.15 -0.35 -0.18 -0.07 0.00 0.00 0.00 179.25 178.79 1xhs h LEU 69 N 0.26 -0.43 -0.36 0.00 3.38 -0.84 -3.03 115.31 114.29 1xhs h LEU 69 Ca 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xhs h LEU 69 Cb 0.75 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xhs h LEU 69 CO -0.06 0.01 -0.09 -1.14 0.09 0.00 0.00 178.44 177.25 1xhs n ARG 70 N -5.13 0.93 -0.01 1.13 0.63 0.40 -2.00 116.66 112.61 1xhs n ARG 70 Ca -0.08 -0.36 -0.01 0.00 -0.92 0.00 0.00 57.85 56.48 1xhs n ARG 70 Cb 0.25 -1.49 -0.00 0.00 0.45 0.00 0.00 32.46 31.67 1xhs n ARG 70 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1xhs n THR 71 N -0.73 0.34 -0.25 5.15 -2.24 -0.01 -2.74 114.28 113.81 1xhs n THR 71 Ca 0.16 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.39 1xhs n THR 71 Cb 0.27 -1.52 0.41 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.16 0.60 0.00 -0.78 1.12 -1.68 0.14 114.38 113.63 1xhs h ARG 72 Ca 0.00 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1xhs h ARG 72 Cb 0.16 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1xhs h ARG 72 CO 0.00 0.40 -0.19 0.41 -3.11 0.00 0.00 179.97 177.48 1xhs n GLY 73 N -1.45 4.53 0.00 2.80 0.00 -0.85 -4.72 105.19 105.50 1xhs n GLY 73 Ca 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.21 0.00 2.20 -0.02 0.00 -0.75 -4.77 105.19 100.64 1xhs n GLY 74 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.05 -0.45 -4.36 1.61 4.07 -0.04 -4.85 120.64 115.57 1xhs n GLU 75 Ca 0.00 0.63 -0.24 0.00 -0.06 0.00 0.00 57.16 57.49 1xhs n GLU 75 Cb 0.18 -4.34 -0.09 0.00 -0.06 0.00 0.00 31.44 27.14 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 -2.15 2.53 0.11 4.31 2.02 -1.11 -3.96 117.35 119.10 1xhs s TYR 76 Ca 0.00 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 1xhs s TYR 76 Cb 0.00 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1xhs s TYR 76 CO 0.00 0.56 -0.22 0.00 -1.57 0.00 0.00 175.55 174.32 1xhs s ALA 77 N -2.48 1.87 -0.13 3.71 0.00 -0.91 -4.36 121.76 119.47 1xhs s ALA 77 Ca 0.33 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1xhs s ALA 77 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1xhs s ALA 77 CO 0.19 0.38 0.62 -0.98 0.00 0.00 0.00 175.76 175.96 1xhs s ARG 78 N -1.94 4.33 -0.25 0.00 1.70 -1.26 0.02 118.95 121.55 1xhs s ARG 78 Ca 0.07 0.67 -0.08 0.00 -0.47 0.00 0.00 55.73 55.93 1xhs s ARG 78 Cb -0.10 -3.49 -0.04 0.00 -0.57 0.00 0.00 34.95 30.76 1xhs s ARG 78 CO 0.04 -0.01 0.10 -1.14 -1.08 0.00 0.00 175.30 173.21 1xhs s GLN 79 N 1.13 3.79 -0.40 3.89 0.74 0.29 -4.86 119.66 124.24 1xhs s GLN 79 Ca 0.31 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 55.07 1xhs s GLN 79 Cb -0.16 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.57 1xhs s GLN 79 CO 0.13 -0.11 0.81 -1.17 -0.55 0.00 0.00 175.29 174.41 1xhs s LEU 80 N 1.44 4.13 -0.11 3.68 2.96 -1.26 0.19 118.68 129.70 1xhs s LEU 80 Ca 0.06 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1xhs s LEU 80 Cb -0.15 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 1xhs s LEU 80 CO 0.05 -0.83 -0.10 0.27 -1.32 0.00 0.00 176.35 174.42 1xhs s ILE 81 N 3.26 3.37 -0.64 6.68 -4.36 -0.51 -4.95 121.20 124.05 1xhs s ILE 81 Ca 0.32 -0.57 -0.23 0.00 -0.26 0.00 0.00 60.65 59.91 1xhs s ILE 81 Cb -0.12 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.23 1xhs s ILE 81 CO 0.20 0.54 0.99 -1.58 0.24 0.00 0.00 174.94 175.33 1xhs s GLN 82 N -0.02 3.16 0.37 0.37 -0.44 -1.26 -0.14 119.66 121.70 1xhs s GLN 82 Ca -0.02 -0.66 0.00 0.00 -2.50 0.00 0.00 55.36 52.18 1xhs s GLN 82 Cb -0.14 -4.19 -0.03 0.00 -1.64 0.00 0.00 33.01 27.01 1xhs s GLN 82 CO 0.03 -1.78 0.58 0.95 0.50 0.00 0.00 175.29 175.57 1xhs s THR 83 N 4.21 4.97 -1.69 -0.34 -4.23 -0.96 -4.88 115.64 112.72 1xhs s THR 83 Ca 0.25 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 1xhs s THR 83 Cb -0.15 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.00 1xhs s THR 83 CO 0.12 -0.56 0.93 -2.65 -0.54 0.00 0.00 174.62 171.93 1xhs n PRO 84 N -1.86 0.13 -0.03 3.99 -0.02 -1.26 -0.57 135.00 135.38 1xhs n PRO 84 Ca -0.04 0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 1xhs n PRO 84 Cb 0.56 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.16 0.08 0.00 6.00 4.01 -1.26 -5.08 117.16 119.75 1xhs n TYR 85 Ca 0.03 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1xhs n TYR 85 Cb 0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.13 3.86 3.67 2.72 0.00 0.26 -5.04 105.19 110.79 1xhs n GLY 86 Ca 0.04 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 6.64 0.06 1.61 0.01 -1.26 -2.26 113.70 118.50 1xhs s SER 87 Ca 0.00 2.36 0.08 0.00 1.31 0.00 0.00 55.95 59.70 1xhs s SER 87 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1xhs s SER 87 CO 0.00 -0.91 -0.20 0.00 0.41 0.00 0.00 173.24 172.54 1xhs s ALA 88 N 3.44 2.54 -0.23 1.44 0.00 0.80 -4.47 121.76 125.27 1xhs s ALA 88 Ca 0.74 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 1xhs s ALA 88 Cb -0.36 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1xhs s ALA 88 CO 0.31 0.57 0.92 -1.58 0.00 0.00 0.00 175.76 175.98 1xhs s TRP 89 N -0.96 3.34 -0.33 0.00 0.52 -1.04 -1.42 118.94 119.05 1xhs s TRP 89 Ca 0.15 1.29 -0.09 0.00 0.02 0.00 0.00 56.10 57.47 1xhs s TRP 89 Cb -0.10 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 1xhs s TRP 89 CO 0.06 -0.41 0.15 1.41 0.02 0.00 0.00 176.95 178.18 1xhs s MET 90 N 2.89 3.05 -0.33 4.98 1.75 0.13 -2.53 119.30 129.24 1xhs s MET 90 Ca 0.39 -0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 53.66 1xhs s MET 90 Cb -0.15 -3.58 0.01 0.00 2.84 0.00 0.00 34.83 33.95 1xhs s MET 90 CO 0.08 -0.54 0.93 0.71 -0.65 0.00 0.00 175.02 175.54 1xhs s TYR 91 N 1.55 3.15 -0.03 4.11 1.51 -1.26 0.11 117.35 126.49 1xhs s TYR 91 Ca 0.03 0.92 0.01 0.00 -1.01 0.00 0.00 57.07 57.02 1xhs s TYR 91 Cb -0.18 -3.51 -0.03 0.00 -0.11 0.00 0.00 41.96 38.13 1xhs s TYR 91 CO 0.05 -0.71 -0.02 0.08 -1.11 0.00 0.00 175.55 173.84 1xhs s VAL 92 N 3.34 4.06 -0.34 0.71 1.01 0.10 -3.89 120.40 125.40 1xhs s VAL 92 Ca 0.38 -0.54 -0.41 0.00 0.00 0.00 0.00 61.98 61.41 1xhs s VAL 92 Cb -0.13 -2.76 -0.16 0.00 0.00 0.00 0.00 36.38 33.33 1xhs s VAL 92 CO 0.15 0.45 1.76 0.00 0.00 0.00 0.00 175.10 177.47 1xhs n TYR 93 N 1.67 1.95 -0.05 5.22 9.36 -1.24 -2.14 117.16 131.93 1xhs n TYR 93 Ca -0.16 0.65 -0.02 0.00 3.32 0.00 0.00 57.90 61.68 1xhs n TYR 93 Cb 0.53 -2.42 -0.13 0.00 -0.63 0.00 0.00 39.34 36.70 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 5.37 1.11 0.00 2.98 -0.06 -1.25 -4.88 117.38 120.64 1xhs n GLN 94 Ca 0.29 -0.06 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1xhs n GLN 94 Cb 0.09 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 1xhs n GLN 94 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1xhs n ARG 95 N -2.42 0.00 -3.28 3.69 1.85 -1.26 -5.05 116.66 110.19 1xhs n ARG 95 Ca -0.18 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.22 1xhs n ARG 95 Cb 0.82 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.17 1xhs n ARG 95 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xhs s PRO 96 N -0.97 3.03 -0.37 2.89 0.04 -1.26 -4.95 135.00 133.41 1xhs s PRO 96 Ca 0.00 -1.29 0.02 0.00 0.04 0.00 0.00 61.00 59.77 1xhs s PRO 96 Cb 0.00 -4.17 0.15 0.00 0.04 0.00 0.00 34.50 30.52 1xhs s PRO 96 CO 0.00 -1.20 0.33 0.14 0.04 0.00 0.00 177.00 176.31 1xhs s VAL 97 N 2.03 -0.20 -0.58 -0.36 -7.23 -1.26 -5.00 120.40 107.79 1xhs s VAL 97 Ca 0.08 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1xhs s VAL 97 Cb -0.24 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1xhs s VAL 97 CO 0.07 -0.70 0.16 -0.90 -0.31 0.00 0.00 175.10 173.43 1xhs n ASP 98 N 4.17 0.41 0.00 4.85 5.75 -1.26 -4.74 116.55 125.73 1xhs n ASP 98 Ca 0.12 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 1xhs n ASP 98 Cb 0.43 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1xhs n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xhs n GLY 99 N 0.60 2.16 7.00 6.12 0.00 -1.26 -5.07 105.19 114.73 1xhs n GLY 99 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1xhs n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xhs n LEU 100 N 0.00 0.00 -4.32 0.99 4.77 -1.26 -4.60 117.00 112.58 1xhs n LEU 100 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1xhs n LEU 100 Cb 0.00 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1xhs n LEU 100 CO 0.00 -1.36 -0.27 -0.75 -1.33 0.00 0.00 177.39 173.68 1xhs s LYS 101 N -0.00 2.93 -0.16 3.23 2.20 -1.04 -4.99 119.74 121.91 1xhs s LYS 101 Ca 0.00 -0.97 -0.22 0.00 -0.36 0.00 0.00 55.97 54.42 1xhs s LYS 101 Cb 0.00 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1xhs s LYS 101 CO 0.00 -0.51 0.68 -1.17 -0.36 0.00 0.00 175.35 173.99 1xhs s LEU 102 N 1.46 4.20 -0.65 5.43 0.20 -1.26 -0.23 118.68 127.83 1xhs s LEU 102 Ca 0.01 0.99 -0.07 0.00 0.69 0.00 0.00 54.13 55.75 1xhs s LEU 102 Cb -0.18 -3.00 0.17 0.00 -0.43 0.00 0.00 46.19 42.75 1xhs s LEU 102 CO 0.02 -0.25 0.51 -0.63 -0.29 0.00 0.00 176.35 175.71 1xhs s ILE 103 N 1.65 4.33 -0.42 6.68 1.01 0.23 -4.88 121.20 129.80 1xhs s ILE 103 Ca 0.33 -2.58 0.22 0.00 0.00 0.00 0.00 60.65 58.62 1xhs s ILE 103 Cb -0.16 -3.78 0.23 0.00 0.01 0.00 0.00 42.46 38.76 1xhs s ILE 103 CO 0.12 -0.90 1.68 -1.84 0.00 0.00 0.00 174.94 174.01 1xhs n GLU 104 N 3.92 0.17 0.23 2.79 -0.00 -1.26 -1.35 120.64 125.14 1xhs n GLU 104 Ca 0.06 0.48 0.11 0.00 -0.00 0.00 0.00 57.16 57.82 1xhs n GLU 104 Cb 0.41 -1.88 0.45 0.00 -0.00 0.00 0.00 31.44 30.42 1xhs n GLU 104 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1xhs h SER 105 N 0.00 0.00 -4.97 -1.84 0.02 -1.90 0.12 113.55 104.98 1xhs h SER 105 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1xhs h SER 105 Cb 0.25 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.90 1xhs h SER 105 CO 0.00 0.17 -0.59 0.61 -1.14 0.00 0.00 176.83 175.87 1xhs n GLY 106 N 0.31 -0.40 3.03 -3.77 0.00 -0.46 -4.48 105.19 99.42 1xhs n GLY 106 Ca 0.01 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.12 0.14 0.07 1.61 -1.08 -1.26 -1.06 116.67 111.98 1xhs s ASP 107 Ca 0.45 -0.36 0.16 0.00 -0.52 0.00 0.00 52.55 52.28 1xhs s ASP 107 Cb -0.20 0.14 -0.13 0.00 -1.46 0.00 0.00 42.92 41.28 1xhs s ASP 107 CO 0.56 -0.32 0.87 4.11 0.52 0.00 0.00 175.17 180.91 1xhs h TRP 108 N 4.53 0.00 0.00 -5.34 0.09 -1.95 -3.40 115.95 109.87 1xhs h TRP 108 Ca -0.31 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.65 1xhs h TRP 108 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.44 1xhs h TRP 108 CO 0.63 0.62 -1.08 1.28 0.09 0.00 0.00 178.44 179.98 1xhs n LEU 109 N -2.94 0.00 -4.28 0.11 4.77 -1.26 -4.81 117.00 108.59 1xhs n LEU 109 Ca -0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1xhs n LEU 109 Cb 0.85 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1xhs n LEU 109 CO 0.43 0.02 2.16 -0.67 -1.33 0.00 0.00 177.39 178.00 1xhs n ASP 110 N -1.95 4.63 0.02 -1.43 2.03 -1.26 -4.30 116.55 114.30 1xhs n ASP 110 Ca -0.02 -2.91 -0.01 0.00 0.52 0.00 0.00 54.79 52.38 1xhs n ASP 110 Cb 0.44 -1.70 -0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 7.31 0.04 -3.40 -0.67 1.74 -1.26 -4.84 116.66 115.57 1xhs n ARG 111 Ca 0.49 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.43 1xhs n ARG 111 Cb 0.43 -0.57 -0.10 0.00 -1.02 0.00 0.00 32.46 31.21 1xhs n ARG 111 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1xhs s ASP 112 N -5.72 1.18 0.00 0.55 2.15 -1.26 -5.25 116.67 108.32 1xhs s ASP 112 Ca -0.02 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.57 1xhs s ASP 112 Cb 0.01 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.29 1xhs s ASP 112 CO 0.03 -0.35 0.38 2.29 -0.17 0.00 0.00 175.17 177.35