#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 3.39 -0.01 2.12 0.52 -1.26 -0.58 118.95 123.13 1xhs s ARG 2 Ca 0.00 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 1xhs s ARG 2 Cb 0.00 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 1xhs s ARG 2 CO 0.00 0.14 -0.15 0.42 0.02 0.00 0.00 175.30 175.73 1xhs s ILE 3 N 0.54 1.19 -0.43 1.52 1.01 -1.01 -2.31 121.20 121.71 1xhs s ILE 3 Ca -0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1xhs s ILE 3 Cb -0.15 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1xhs s ILE 3 CO 0.04 0.34 0.44 0.12 0.00 0.00 0.00 174.94 175.87 1xhs s PHE 4 N -0.32 3.17 -0.48 3.97 5.36 -1.04 -2.03 117.98 126.62 1xhs s PHE 4 Ca 0.05 -0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 55.42 1xhs s PHE 4 Cb -0.06 -2.92 0.05 0.00 -0.34 0.00 0.00 43.02 39.75 1xhs s PHE 4 CO -0.00 -0.71 0.56 0.08 -1.46 0.00 0.00 175.22 173.68 1xhs s VAL 5 N 2.12 4.96 -1.27 3.12 1.01 0.71 -4.76 120.40 126.29 1xhs s VAL 5 Ca 0.12 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1xhs s VAL 5 Cb -0.17 -4.21 0.15 0.00 0.00 0.00 0.00 36.38 32.14 1xhs s VAL 5 CO 0.13 -0.67 1.68 0.00 0.00 0.00 0.00 175.10 176.24 1xhs n TYR 6 N 5.94 4.18 0.00 5.22 4.11 -1.26 -0.06 117.16 135.29 1xhs n TYR 6 Ca -0.07 -3.08 0.00 0.00 -0.00 0.00 0.00 57.90 54.75 1xhs n TYR 6 Cb 0.46 -2.21 0.00 0.00 -0.00 0.00 0.00 39.34 37.59 1xhs n TYR 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xhs n GLY 7 N 3.87 2.97 3.56 -7.48 0.00 -1.26 -4.68 105.19 102.17 1xhs n GLY 7 Ca 0.41 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 5.12 0.13 1.61 0.15 -1.26 -4.66 113.70 114.79 1xhs s SER 8 Ca 0.00 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.04 1xhs s SER 8 Cb 0.00 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.57 1xhs s SER 8 CO 0.00 -2.77 1.30 0.25 1.20 0.00 0.00 173.24 173.22 1xhs h LEU 9 N 17.94 0.02 -2.54 3.45 7.12 -1.91 -2.97 115.31 136.43 1xhs h LEU 9 Ca 0.10 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1xhs h LEU 9 Cb 1.00 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1xhs h LEU 9 CO 1.21 0.99 -0.01 0.03 -0.13 0.00 0.00 178.44 180.53 1xhs h ARG 10 N 0.00 0.00 0.02 1.25 3.08 -2.01 -2.91 114.38 113.81 1xhs h ARG 10 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.71 1xhs h ARG 10 Cb 1.73 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.74 1xhs h ARG 10 CO 0.13 0.01 -1.77 0.72 -1.07 0.00 0.00 179.97 177.99 1xhs n HIS 11 N -3.59 0.74 -3.31 3.04 8.25 -1.20 -4.76 115.22 114.39 1xhs n HIS 11 Ca -0.03 0.28 -0.47 0.00 -0.26 0.00 0.00 57.72 57.24 1xhs n HIS 11 Cb 0.10 -1.08 -0.03 0.00 1.12 0.00 0.00 29.99 30.10 1xhs n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xhs s LYS 12 N -2.44 3.48 -0.85 -0.41 1.02 -1.10 -4.99 119.74 114.45 1xhs s LYS 12 Ca -0.31 -2.28 -0.25 0.00 0.02 0.00 0.00 55.97 53.15 1xhs s LYS 12 Cb 0.08 -4.42 0.04 0.00 -0.52 0.00 0.00 37.83 33.02 1xhs s LYS 12 CO 0.59 -1.32 1.33 -0.65 -0.92 0.00 0.00 175.35 174.38 1xhs s GLN 13 N 0.56 3.36 0.10 1.68 -1.52 -1.25 -4.73 119.66 117.86 1xhs s GLN 13 Ca 0.16 -0.66 -0.15 0.00 -1.95 0.00 0.00 55.36 52.75 1xhs s GLN 13 Cb -0.14 -4.67 -0.07 0.00 -0.22 0.00 0.00 33.01 27.91 1xhs s GLN 13 CO -0.07 -2.14 1.45 0.78 -0.25 0.00 0.00 175.29 175.06 1xhs h GLY 14 N 12.77 0.74 -3.89 3.09 0.00 -1.94 -3.46 103.07 110.38 1xhs h GLY 14 Ca -0.08 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 1xhs h GLY 14 CO 1.33 0.64 -0.68 0.21 0.00 0.00 0.00 176.54 178.04 1xhs s ASN 15 N -6.43 0.39 0.46 0.19 3.84 -1.26 -5.03 114.94 107.09 1xhs s ASN 15 Ca -0.13 -0.80 0.19 0.00 0.21 0.00 0.00 52.86 52.33 1xhs s ASN 15 Cb 0.09 0.17 1.17 0.00 -0.55 0.00 0.00 41.25 42.13 1xhs s ASN 15 CO 0.82 -0.49 1.95 0.28 -2.79 0.00 0.00 177.10 176.86 1xhs h SER 16 N 3.70 0.25 -0.32 -4.21 0.02 -2.01 -0.47 113.55 110.52 1xhs h SER 16 Ca -0.33 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1xhs h SER 16 Cb 1.17 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1xhs h SER 16 CO 0.56 0.13 0.22 0.45 -1.14 0.00 0.00 176.83 177.05 1xhs h HIS 17 N 0.27 0.19 -0.18 3.45 3.86 -1.96 -0.08 115.15 120.70 1xhs h HIS 17 Ca 0.33 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1xhs h HIS 17 Cb 0.90 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1xhs h HIS 17 CO -0.00 0.11 -0.09 -1.49 0.86 0.00 0.00 177.93 177.31 1xhs h TRP 18 N 0.19 0.44 0.00 2.45 -0.00 -1.49 -3.18 115.95 114.35 1xhs h TRP 18 Ca 0.14 -0.11 -0.14 0.00 -0.00 0.00 0.00 58.89 58.78 1xhs h TRP 18 Cb 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.35 1xhs h TRP 18 CO -0.00 0.69 -0.66 1.98 -0.00 0.00 0.00 178.44 180.45 1xhs h MET 19 N 0.06 0.00 -6.44 0.49 4.05 -1.49 -3.39 114.93 108.21 1xhs h MET 19 Ca 0.04 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.92 1xhs h MET 19 Cb 0.58 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1xhs h MET 19 CO 0.03 0.66 0.36 0.99 0.23 0.00 0.00 176.91 179.17 1xhs s THR 20 N -3.19 4.78 -1.02 -0.77 2.01 -0.09 -3.73 115.64 113.63 1xhs s THR 20 Ca 0.01 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1xhs s THR 20 Cb 0.10 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1xhs s THR 20 CO 0.76 0.21 0.00 -0.46 -0.69 0.00 0.00 174.62 174.44 1xhs n ASN 21 N 3.59 -3.25 -4.64 3.53 0.23 -1.26 -4.81 115.26 108.65 1xhs n ASN 21 Ca 0.05 0.24 -0.43 0.00 -0.53 0.00 0.00 54.58 53.91 1xhs n ASN 21 Cb 0.51 -2.86 -0.02 0.00 -2.08 0.00 0.00 39.78 35.32 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xhs s ALA 22 N -1.73 3.52 -0.31 -2.53 0.00 -1.24 -4.59 121.76 114.87 1xhs s ALA 22 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1xhs s ALA 22 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1xhs s ALA 22 CO 0.00 -1.45 0.12 -1.14 0.00 0.00 0.00 175.76 173.29 1xhs s GLN 23 N 3.70 3.12 -0.51 0.00 0.74 -0.88 -4.98 119.66 120.85 1xhs s GLN 23 Ca 0.50 -0.85 -0.27 0.00 0.05 0.00 0.00 55.36 54.79 1xhs s GLN 23 Cb -0.15 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1xhs s GLN 23 CO 0.16 -0.47 1.98 -1.17 -0.55 0.00 0.00 175.29 175.23 1xhs s LEU 24 N 1.54 3.37 0.37 3.68 2.96 -1.26 -1.18 118.68 128.15 1xhs s LEU 24 Ca 0.03 0.77 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1xhs s LEU 24 Cb -0.17 -2.78 0.71 0.00 0.50 0.00 0.00 46.19 44.45 1xhs s LEU 24 CO 0.04 -2.32 1.89 -0.07 -1.32 0.00 0.00 176.35 174.57 1xhs h LEU 25 N 16.45 0.30 0.00 -0.68 3.38 -1.48 -3.48 115.31 129.81 1xhs h LEU 25 Ca -0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xhs h LEU 25 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xhs h LEU 25 CO 1.15 0.45 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1xhs n GLY 26 N -0.84 4.59 3.69 0.83 0.00 -1.15 -5.01 105.19 107.31 1xhs n GLY 26 Ca -0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 6.85 -0.06 1.61 1.47 -1.26 -2.79 116.67 122.49 1xhs s ASP 27 Ca 0.00 2.16 -0.02 0.00 1.18 0.00 0.00 52.55 55.87 1xhs s ASP 27 Cb 0.00 -2.57 0.03 0.00 -0.34 0.00 0.00 42.92 40.05 1xhs s ASP 27 CO 0.00 -0.70 0.06 0.12 0.68 0.00 0.00 175.17 175.33 1xhs s PHE 28 N 2.09 0.12 -0.14 2.11 5.36 0.12 -4.95 117.98 122.69 1xhs s PHE 28 Ca 0.64 0.16 -0.24 0.00 -0.96 0.00 0.00 56.93 56.54 1xhs s PHE 28 Cb -0.33 -0.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.80 1xhs s PHE 28 CO 0.28 -0.24 0.75 -1.12 -1.46 0.00 0.00 175.22 173.42 1xhs s SER 29 N 2.15 6.91 -0.20 6.13 0.01 -1.25 -2.78 113.70 124.68 1xhs s SER 29 Ca 0.05 1.11 -0.10 0.00 1.31 0.00 0.00 55.95 58.32 1xhs s SER 29 Cb -0.13 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1xhs s SER 29 CO -0.04 -0.28 0.13 0.27 0.41 0.00 0.00 173.24 173.74 1xhs s ILE 30 N 1.63 5.41 0.37 1.44 -4.36 0.03 -4.78 121.20 120.94 1xhs s ILE 30 Ca 0.36 0.20 -0.02 0.00 -0.26 0.00 0.00 60.65 60.93 1xhs s ILE 30 Cb -0.17 -3.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.03 1xhs s ILE 30 CO 0.14 0.44 0.61 -0.62 0.24 0.00 0.00 174.94 175.75 1xhs s ASP 31 N 0.36 6.31 -0.55 4.36 2.15 -1.26 0.35 116.67 128.39 1xhs s ASP 31 Ca 0.08 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1xhs s ASP 31 Cb -0.11 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1xhs s ASP 31 CO -0.02 -0.35 0.00 0.59 -0.17 0.00 0.00 175.17 175.22 1xhs n ASN 32 N -1.76 -2.53 -4.25 -0.34 3.02 0.11 -4.84 115.26 104.66 1xhs n ASN 32 Ca -0.03 -0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1xhs n ASN 32 Cb 0.56 -1.87 -0.10 0.00 -0.61 0.00 0.00 39.78 37.75 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 -2.32 1.24 0.14 3.10 2.02 0.75 0.10 117.35 122.37 1xhs s TYR 33 Ca 0.00 -0.88 0.09 0.00 -0.37 0.00 0.00 57.07 55.91 1xhs s TYR 33 Cb 0.00 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1xhs s TYR 33 CO 0.00 -0.05 -0.21 -0.65 -1.57 0.00 0.00 175.55 173.07 1xhs s GLN 34 N -3.82 1.25 -0.14 -0.62 -0.21 0.22 -1.47 119.66 114.86 1xhs s GLN 34 Ca 0.20 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 54.29 1xhs s GLN 34 Cb 0.04 -1.47 0.00 0.00 1.00 0.00 0.00 33.01 32.59 1xhs s GLN 34 CO 0.02 0.33 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.14 1xhs s LEU 35 N -2.27 2.22 -0.05 2.90 2.96 -0.44 -0.87 118.68 123.13 1xhs s LEU 35 Ca 0.12 -0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 1xhs s LEU 35 Cb -0.08 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1xhs s LEU 35 CO 0.06 0.10 0.46 -0.31 -1.32 0.00 0.00 176.35 175.33 1xhs s TYR 36 N 0.73 3.64 -0.39 5.38 2.02 0.24 0.76 117.35 129.72 1xhs s TYR 36 Ca -0.08 0.98 0.03 0.00 -0.37 0.00 0.00 57.07 57.63 1xhs s TYR 36 Cb -0.16 -2.44 0.11 0.00 -0.40 0.00 0.00 41.96 39.07 1xhs s TYR 36 CO 0.00 0.41 0.12 0.45 -1.57 0.00 0.00 175.55 174.96 1xhs s SER 37 N -0.27 4.51 -0.18 2.29 0.15 0.14 -1.21 113.70 119.13 1xhs s SER 37 Ca 0.25 -2.35 0.16 0.00 0.70 0.00 0.00 55.95 54.71 1xhs s SER 37 Cb -0.16 -1.52 0.75 0.00 -1.71 0.00 0.00 66.02 63.37 1xhs s SER 37 CO 0.12 -0.34 1.66 0.00 1.20 0.00 0.00 173.24 175.89 1xhs n LEU 38 N 3.98 5.15 0.00 3.45 -0.00 -1.25 -1.28 117.00 127.05 1xhs n LEU 38 Ca 0.04 -2.77 0.00 0.00 -0.00 0.00 0.00 56.01 53.28 1xhs n LEU 38 Cb 0.39 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1xhs n LEU 38 CO 0.24 0.70 0.00 0.61 -0.00 0.00 0.00 177.39 178.94 1xhs n GLY 39 N 0.65 1.15 0.15 1.47 0.00 -1.26 -4.45 105.19 102.90 1xhs n GLY 39 Ca 0.26 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.28 -1.99 1.61 3.86 -2.00 -3.45 115.15 112.90 1xhs h HIS 40 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1xhs h HIS 40 Cb 0.00 0.11 -0.21 0.00 1.06 0.00 0.00 27.41 28.37 1xhs h HIS 40 CO 0.00 -0.17 0.12 1.52 0.86 0.00 0.00 177.93 180.26 1xhs s TYR 41 N -6.15 -0.83 0.68 2.45 1.13 -1.26 -5.17 117.35 108.20 1xhs s TYR 41 Ca -0.14 1.95 -0.11 0.00 -1.41 0.00 0.00 57.07 57.36 1xhs s TYR 41 Cb 0.07 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 1xhs s TYR 41 CO 0.66 -0.40 1.06 -2.14 -2.51 0.00 0.00 175.55 172.21 1xhs s PRO 42 N 0.58 3.00 -0.10 -3.49 0.02 -1.26 -3.96 135.00 129.79 1xhs s PRO 42 Ca -0.02 0.96 -0.04 0.00 0.02 0.00 0.00 61.00 61.92 1xhs s PRO 42 Cb -0.05 -2.00 0.05 0.00 0.02 0.00 0.00 34.50 32.52 1xhs s PRO 42 CO -0.02 -1.05 0.21 0.20 -0.33 0.00 0.00 177.00 176.01 1xhs s GLY 43 N -3.76 -0.07 -0.01 0.52 0.00 -0.35 -4.96 107.32 98.69 1xhs s GLY 43 Ca 0.58 0.82 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1xhs s GLY 43 CO 0.54 1.48 0.00 0.00 0.00 0.00 0.00 173.10 175.12 1xhs s ALA 44 N 1.77 3.29 0.12 3.20 0.00 -1.26 0.79 121.76 129.67 1xhs s ALA 44 Ca -0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 1xhs s ALA 44 Cb -0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1xhs s ALA 44 CO -0.07 0.64 0.17 0.14 0.00 0.00 0.00 175.76 176.64 1xhs s VAL 45 N -1.06 0.11 0.34 0.00 -7.23 -0.05 -4.10 120.40 108.41 1xhs s VAL 45 Ca 0.19 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1xhs s VAL 45 Cb -0.11 -1.71 -0.11 0.00 0.56 0.00 0.00 36.38 35.01 1xhs s VAL 45 CO 0.09 -0.51 1.41 -2.16 -0.31 0.00 0.00 175.10 173.62 1xhs s PRO 46 N -3.95 4.23 0.00 4.82 0.04 -1.26 0.68 135.00 139.57 1xhs s PRO 46 Ca 0.14 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1xhs s PRO 46 Cb 0.05 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1xhs s PRO 46 CO -0.04 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1xhs n GLY 47 N 0.94 0.17 2.66 0.56 0.00 0.11 -4.58 105.19 105.05 1xhs n GLY 47 Ca 0.02 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 1.48 0.00 1.61 3.04 -1.26 -4.10 114.94 117.71 1xhs s ASN 48 Ca 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 52.86 51.03 1xhs s ASN 48 Cb 0.00 0.31 0.00 0.00 -1.54 0.00 0.00 41.25 40.02 1xhs s ASN 48 CO 0.00 -0.25 0.00 0.61 -3.04 0.00 0.00 177.10 174.42 1xhs n GLY 49 N 4.00 0.65 3.18 1.21 0.00 -0.54 -4.74 105.19 108.95 1xhs n GLY 49 Ca 0.14 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 3.85 -0.21 2.61 2.01 -1.24 0.04 115.64 120.70 1xhs s THR 50 Ca 0.00 -1.88 -0.26 0.00 0.31 0.00 0.00 61.69 59.85 1xhs s THR 50 Cb 0.00 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1xhs s THR 50 CO 0.00 -0.74 0.89 -0.69 -0.69 0.00 0.00 174.62 173.39 1xhs s VAL 51 N 1.28 4.81 -0.92 3.82 1.01 0.16 -4.01 120.40 126.55 1xhs s VAL 51 Ca 0.07 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.70 1xhs s VAL 51 Cb -0.25 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 1xhs s VAL 51 CO -0.02 -0.06 2.97 1.41 0.00 0.00 0.00 175.10 179.40 1xhs n HIS 52 N 5.75 1.36 -2.03 5.22 8.25 0.13 -0.79 115.22 133.10 1xhs n HIS 52 Ca 0.07 -2.28 -0.33 0.00 -0.26 0.00 0.00 57.72 54.93 1xhs n HIS 52 Cb 0.48 -2.00 0.01 0.00 1.12 0.00 0.00 29.99 29.60 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 2.33 2.09 -0.27 -1.41 0.00 -1.12 -4.68 107.32 104.25 1xhs s GLY 53 Ca 0.62 0.36 -0.10 0.00 0.00 0.00 0.00 44.72 45.59 1xhs s GLY 53 CO -0.03 0.67 0.17 -0.54 0.00 0.00 0.00 173.10 173.37 1xhs s GLU 54 N -4.14 3.91 -0.22 2.90 2.02 0.91 0.16 118.70 124.25 1xhs s GLU 54 Ca 0.63 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 1xhs s GLU 54 Cb -0.15 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1xhs s GLU 54 CO 0.38 -0.17 0.42 0.08 0.02 0.00 0.00 175.26 175.99 1xhs s VAL 55 N 1.70 5.17 0.06 2.63 1.01 -1.12 -0.21 120.40 129.65 1xhs s VAL 55 Ca 0.07 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1xhs s VAL 55 Cb -0.16 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1xhs s VAL 55 CO 0.10 0.21 -0.24 -0.31 0.00 0.00 0.00 175.10 174.86 1xhs s TYR 56 N 1.56 2.06 -0.43 5.22 1.51 -0.86 -1.14 117.35 125.27 1xhs s TYR 56 Ca 0.19 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 1xhs s TYR 56 Cb -0.15 -1.20 0.08 0.00 -0.11 0.00 0.00 41.96 40.58 1xhs s TYR 56 CO 0.09 0.15 0.28 0.50 -1.11 0.00 0.00 175.55 175.46 1xhs s ARG 57 N -1.42 2.64 0.34 -0.62 3.52 -0.33 -2.40 118.95 120.68 1xhs s ARG 57 Ca 0.10 -1.47 0.07 0.00 -0.13 0.00 0.00 55.73 54.29 1xhs s ARG 57 Cb -0.10 -3.83 -0.07 0.00 -1.56 0.00 0.00 34.95 29.40 1xhs s ARG 57 CO 0.03 -0.98 -0.02 0.96 -0.81 0.00 0.00 175.30 174.47 1xhs s ILE 58 N 1.44 1.74 0.21 4.11 -5.25 0.26 -2.07 121.20 121.64 1xhs s ILE 58 Ca 0.03 -2.08 -0.31 0.00 -0.99 0.00 0.00 60.65 57.30 1xhs s ILE 58 Cb -0.23 -2.71 -0.15 0.00 2.95 0.00 0.00 42.46 42.32 1xhs s ILE 58 CO 0.02 -0.14 1.22 -0.67 -1.79 0.00 0.00 174.94 173.59 1xhs n ASP 59 N -0.74 1.82 -0.33 4.36 2.03 -1.26 0.91 116.55 123.33 1xhs n ASP 59 Ca -0.04 1.15 0.05 0.00 0.52 0.00 0.00 54.79 56.47 1xhs n ASP 59 Cb 0.65 -1.30 0.21 0.00 -0.72 0.00 0.00 41.12 39.96 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 3.43 0.81 0.27 1.67 2.35 -1.99 -2.18 115.58 119.93 1xhs h ASN 60 Ca -0.43 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.25 1xhs h ASN 60 Cb 1.32 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1xhs h ASN 60 CO 0.70 0.44 -0.46 0.00 -1.65 0.00 0.00 177.43 176.46 1xhs h ALA 61 N 1.51 1.04 -0.51 -0.83 0.00 -1.99 -1.79 119.26 116.69 1xhs h ALA 61 Ca 0.46 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1xhs h ALA 61 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xhs h ALA 61 CO -0.26 0.63 0.35 1.15 0.00 0.00 0.00 179.25 181.12 1xhs h THR 62 N 0.19 0.86 -0.01 0.00 2.02 -1.76 0.28 112.91 114.48 1xhs h THR 62 Ca 0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1xhs h THR 62 Cb 0.90 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1xhs h THR 62 CO 0.07 0.04 -0.00 0.25 0.37 0.00 0.00 175.52 176.25 1xhs h LEU 63 N 0.25 0.02 -1.76 2.58 5.85 -1.29 0.48 115.31 121.44 1xhs h LEU 63 Ca 0.24 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1xhs h LEU 63 Cb 0.62 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1xhs h LEU 63 CO -0.05 0.41 0.24 0.00 -0.34 0.00 0.00 178.44 178.70 1xhs h ALA 64 N 0.62 1.95 -0.02 1.25 0.00 -0.95 0.42 119.26 122.51 1xhs h ALA 64 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1xhs h ALA 64 Cb 0.40 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xhs h ALA 64 CO 0.00 -0.00 -0.95 1.49 0.00 0.00 0.00 179.25 179.79 1xhs h GLU 65 N 0.30 0.68 -0.16 0.00 4.81 -0.39 -2.85 114.58 116.97 1xhs h GLU 65 Ca 0.15 -0.70 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1xhs h GLU 65 Cb 0.21 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1xhs h GLU 65 CO -0.03 1.29 0.03 1.25 -0.73 0.00 0.00 179.01 180.82 1xhs h LEU 66 N 0.35 0.25 -0.37 1.64 6.46 0.58 -1.89 115.31 122.34 1xhs h LEU 66 Ca -0.11 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.32 1xhs h LEU 66 Cb 1.61 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.46 1xhs h LEU 66 CO 0.19 0.43 -0.09 -2.24 -0.62 0.00 0.00 178.44 176.10 1xhs h ASP 67 N 0.06 0.72 -0.40 1.25 3.04 -0.34 0.75 116.42 121.50 1xhs h ASP 67 Ca 0.05 -0.36 0.05 0.00 -3.24 0.00 0.00 57.03 53.53 1xhs h ASP 67 Cb 0.28 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 38.35 1xhs h ASP 67 CO 0.00 0.92 0.27 0.00 -2.04 0.00 0.00 179.24 178.39 1xhs h ALA 68 N 0.82 1.97 0.13 4.15 0.00 -1.50 0.32 119.26 125.15 1xhs h ALA 68 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1xhs h ALA 68 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xhs h ALA 68 CO 0.04 -0.04 -1.46 1.25 0.00 0.00 0.00 179.25 179.03 1xhs h LEU 69 N 0.32 0.42 -0.84 0.00 5.85 -0.60 -3.38 115.31 117.09 1xhs h LEU 69 Ca 0.17 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1xhs h LEU 69 Cb 0.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xhs h LEU 69 CO -0.04 1.65 0.00 -1.14 -0.34 0.00 0.00 178.44 178.57 1xhs n ARG 70 N -3.87 1.54 0.00 1.25 0.63 0.25 -4.86 116.66 111.61 1xhs n ARG 70 Ca -0.25 -0.82 0.00 0.00 -0.92 0.00 0.00 57.85 55.86 1xhs n ARG 70 Cb 0.93 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.56 1xhs n ARG 70 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1xhs n THR 71 N 0.10 0.00 0.00 5.15 5.66 -0.97 -4.76 114.28 119.46 1xhs n THR 71 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1xhs n THR 71 Cb 0.23 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1xhs n THR 71 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1xhs n ARG 72 N -2.00 0.00 -1.12 1.09 0.63 0.11 -1.68 116.66 113.69 1xhs n ARG 72 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1xhs n ARG 72 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1xhs n ARG 72 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xhs n GLY 73 N 0.00 0.81 0.04 5.14 0.00 -1.25 -4.33 105.19 105.60 1xhs n GLY 73 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1xhs n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhs n GLY 74 N 0.31 -0.44 0.19 -0.02 0.00 -0.67 -4.74 105.19 99.81 1xhs n GLY 74 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.40 -5.83 1.61 4.81 -1.90 -3.45 114.58 110.21 1xhs h GLU 75 Ca 0.00 -0.27 -0.56 0.00 -0.13 0.00 0.00 59.36 58.40 1xhs h GLU 75 Cb 0.00 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 29.28 1xhs h GLU 75 CO 0.00 0.89 -0.70 0.71 -0.73 0.00 0.00 179.01 179.17 1xhs s TYR 76 N -3.82 2.16 -0.08 0.92 2.02 -1.26 -4.34 117.35 112.96 1xhs s TYR 76 Ca -0.06 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 1xhs s TYR 76 Cb 0.11 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1xhs s TYR 76 CO 0.82 0.50 0.09 0.00 -1.57 0.00 0.00 175.55 175.39 1xhs s ALA 77 N -2.75 3.66 -0.21 3.71 0.00 -1.07 -3.94 121.76 121.17 1xhs s ALA 77 Ca 0.30 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 1xhs s ALA 77 Cb 0.01 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1xhs s ALA 77 CO 0.14 0.64 0.46 1.03 0.00 0.00 0.00 175.76 178.02 1xhs s ARG 78 N -1.22 4.17 -0.30 0.00 0.52 -1.26 -0.64 118.95 120.22 1xhs s ARG 78 Ca 0.17 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1xhs s ARG 78 Cb -0.12 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.86 1xhs s ARG 78 CO 0.07 -0.12 -0.01 -1.14 0.02 0.00 0.00 175.30 174.12 1xhs s GLN 79 N 1.54 2.22 -0.47 3.54 0.74 0.24 -4.96 119.66 122.50 1xhs s GLN 79 Ca 0.21 -1.42 -0.28 0.00 0.05 0.00 0.00 55.36 53.93 1xhs s GLN 79 Cb -0.15 -3.12 0.03 0.00 1.10 0.00 0.00 33.01 30.86 1xhs s GLN 79 CO 0.09 -0.68 1.06 -1.17 -0.55 0.00 0.00 175.29 174.04 1xhs s LEU 80 N 1.15 3.76 -0.01 3.68 2.96 -1.26 0.15 118.68 129.12 1xhs s LEU 80 Ca -0.03 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 1xhs s LEU 80 Cb -0.20 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1xhs s LEU 80 CO -0.03 -1.18 0.04 0.27 -1.32 0.00 0.00 176.35 174.12 1xhs s ILE 81 N 4.21 4.45 -0.55 6.68 -4.36 -0.12 -4.91 121.20 126.60 1xhs s ILE 81 Ca 0.44 -0.48 -0.21 0.00 -0.26 0.00 0.00 60.65 60.14 1xhs s ILE 81 Cb -0.08 -3.00 0.06 0.00 1.25 0.00 0.00 42.46 40.68 1xhs s ILE 81 CO 0.30 0.38 0.77 -1.58 0.24 0.00 0.00 174.94 175.05 1xhs s GLN 82 N -1.60 3.18 0.32 0.37 -0.44 -1.26 0.20 119.66 120.43 1xhs s GLN 82 Ca 0.21 -0.73 0.05 0.00 -2.50 0.00 0.00 55.36 52.38 1xhs s GLN 82 Cb -0.12 -4.12 -0.02 0.00 -1.64 0.00 0.00 33.01 27.12 1xhs s GLN 82 CO 0.11 -1.41 0.46 0.95 0.50 0.00 0.00 175.29 175.91 1xhs s THR 83 N 3.22 4.60 0.65 -0.34 -4.23 -0.93 -4.90 115.64 113.72 1xhs s THR 83 Ca 0.20 -0.87 0.39 0.00 -1.18 0.00 0.00 61.69 60.23 1xhs s THR 83 Cb -0.17 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.45 1xhs s THR 83 CO 0.13 -0.29 2.28 -0.65 -0.54 0.00 0.00 174.62 175.56 1xhs h PRO 84 N 0.91 0.00 -0.02 3.99 0.11 -2.02 0.73 132.00 135.70 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 0.57 0.00 -0.33 0.66 -0.21 0.00 0.00 178.00 178.69 1xhs n TYR 85 N -3.26 0.00 0.00 0.65 4.01 -1.26 -5.04 117.16 112.26 1xhs n TYR 85 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1xhs n TYR 85 Cb 0.13 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.37 3.89 3.70 2.72 0.00 0.25 -5.06 105.19 112.07 1xhs n GLY 86 Ca 0.11 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 6.63 0.11 1.61 0.01 -1.26 -2.18 113.70 118.62 1xhs s SER 87 Ca 0.00 2.51 0.09 0.00 1.31 0.00 0.00 55.95 59.86 1xhs s SER 87 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1xhs s SER 87 CO 0.00 -0.83 -0.22 0.00 0.41 0.00 0.00 173.24 172.60 1xhs s ALA 88 N 1.90 1.95 -0.17 1.44 0.00 0.13 -4.49 121.76 122.51 1xhs s ALA 88 Ca 0.71 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1xhs s ALA 88 Cb -0.41 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1xhs s ALA 88 CO 0.31 0.39 1.06 -1.58 0.00 0.00 0.00 175.76 175.94 1xhs s TRP 89 N -1.23 3.34 -0.27 0.00 0.52 -0.98 -0.94 118.94 119.37 1xhs s TRP 89 Ca 0.09 1.45 -0.06 0.00 0.02 0.00 0.00 56.10 57.59 1xhs s TRP 89 Cb -0.10 -3.28 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 1xhs s TRP 89 CO 0.05 -0.57 0.05 1.41 0.02 0.00 0.00 176.95 177.91 1xhs s MET 90 N 2.80 3.21 -0.46 4.98 1.75 0.12 -2.50 119.30 129.20 1xhs s MET 90 Ca 0.47 -0.77 -0.19 0.00 -1.25 0.00 0.00 55.69 53.96 1xhs s MET 90 Cb -0.17 -3.29 0.04 0.00 2.84 0.00 0.00 34.83 34.25 1xhs s MET 90 CO 0.11 -0.36 0.56 0.71 -0.65 0.00 0.00 175.02 175.39 1xhs s TYR 91 N 1.50 3.10 -0.20 4.11 1.51 -1.26 0.79 117.35 126.91 1xhs s TYR 91 Ca 0.04 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 1xhs s TYR 91 Cb -0.16 -3.27 -0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1xhs s TYR 91 CO 0.01 -0.88 1.19 0.08 -1.11 0.00 0.00 175.55 174.85 1xhs s VAL 92 N 2.46 4.41 -0.05 0.71 1.01 0.19 -4.26 120.40 124.87 1xhs s VAL 92 Ca 0.15 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 1xhs s VAL 92 Cb -0.18 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1xhs s VAL 92 CO 0.14 -0.18 1.75 -0.47 0.00 0.00 0.00 175.10 176.34 1xhs s TYR 93 N 3.46 1.78 0.06 5.22 5.04 -1.26 -2.58 117.35 129.07 1xhs s TYR 93 Ca 0.51 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1xhs s TYR 93 Cb -0.19 -4.00 0.01 0.00 0.35 0.00 0.00 41.96 38.13 1xhs s TYR 93 CO 0.12 -4.25 0.09 0.94 -1.34 0.00 0.00 175.55 171.11 1xhs n GLN 94 N 7.31 0.73 -0.55 4.97 -0.06 -1.26 -4.98 117.38 123.54 1xhs n GLN 94 Ca 0.18 -0.27 0.07 0.00 -2.00 0.00 0.00 57.00 54.98 1xhs n GLN 94 Cb 0.43 -0.05 -0.03 0.00 -4.06 0.00 0.00 30.24 26.53 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 -1.15 -1.20 -1.67 3.69 1.74 -1.26 -4.76 116.66 112.05 1xhs n ARG 95 Ca 0.02 0.92 -0.49 0.00 -0.77 0.00 0.00 57.85 57.52 1xhs n ARG 95 Cb 0.06 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 1xhs n ARG 95 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xhs n PRO 96 N -3.13 1.99 -0.06 5.56 -0.02 -1.26 -4.85 135.00 133.23 1xhs n PRO 96 Ca -0.02 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1xhs n PRO 96 Cb 0.26 -2.59 0.11 0.00 -0.02 0.00 0.00 33.50 31.26 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 5.29 0.20 0.34 -1.45 0.24 -1.26 -4.56 118.33 117.13 1xhs n VAL 97 Ca 0.24 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1xhs n VAL 97 Cb 0.28 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1xhs n VAL 97 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1xhs n ASP 98 N 1.05 0.15 -0.13 -1.34 5.75 -1.26 -2.30 116.55 118.47 1xhs n ASP 98 Ca 0.12 -0.49 0.03 0.00 -0.01 0.00 0.00 54.79 54.44 1xhs n ASP 98 Cb 0.47 -0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.14 1.76 3.39 6.12 0.00 -1.26 -5.07 105.19 110.27 1xhs n GLY 99 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1xhs n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xhs s LEU 100 N -1.13 1.18 0.34 0.99 -0.00 -0.97 -4.99 118.68 114.10 1xhs s LEU 100 Ca 0.09 -1.49 -0.26 0.00 -0.00 0.00 0.00 54.13 52.47 1xhs s LEU 100 Cb 0.08 1.03 -0.09 0.00 -0.00 0.00 0.00 46.19 47.21 1xhs s LEU 100 CO 0.01 -1.13 1.02 -0.54 -0.00 0.00 0.00 176.35 175.71 1xhs s LYS 101 N -3.47 4.44 -0.34 1.48 1.02 -0.40 -4.84 119.74 117.63 1xhs s LYS 101 Ca 0.34 1.50 -0.06 0.00 0.02 0.00 0.00 55.97 57.78 1xhs s LYS 101 Cb 0.02 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1xhs s LYS 101 CO 0.20 0.11 0.10 -1.17 -0.92 0.00 0.00 175.35 173.66 1xhs s LEU 102 N -2.13 4.30 -0.78 3.17 2.96 -1.26 0.27 118.68 125.21 1xhs s LEU 102 Ca 0.52 -1.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 1xhs s LEU 102 Cb -0.23 -1.85 0.20 0.00 0.50 0.00 0.00 46.19 44.81 1xhs s LEU 102 CO 0.29 -0.33 0.73 -0.63 -1.32 0.00 0.00 176.35 175.09 1xhs s ILE 103 N 1.38 5.52 0.38 6.68 1.01 0.23 -4.86 121.20 131.54 1xhs s ILE 103 Ca -0.02 -2.27 0.23 0.00 0.00 0.00 0.00 60.65 58.59 1xhs s ILE 103 Cb -0.20 -4.45 0.24 0.00 0.01 0.00 0.00 42.46 38.06 1xhs s ILE 103 CO 0.02 -1.01 1.99 -0.33 0.00 0.00 0.00 174.94 175.62 1xhs h GLU 104 N 8.01 0.00 0.00 2.79 3.07 -1.89 -1.05 114.58 125.52 1xhs h GLU 104 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1xhs h GLU 104 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1xhs h GLU 104 CO 0.81 0.18 0.00 0.66 -1.40 0.00 0.00 179.01 179.26 1xhs h SER 105 N 0.00 0.00 -2.53 1.42 4.64 -1.88 -3.29 113.55 111.90 1xhs h SER 105 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1xhs h SER 105 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1xhs h SER 105 CO 0.02 0.00 -0.33 0.61 -0.87 0.00 0.00 176.83 176.26 1xhs n GLY 106 N 0.47 -0.01 3.79 -0.77 0.00 -0.92 -3.83 105.19 103.92 1xhs n GLY 106 Ca 0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.78 4.24 -0.00 1.61 1.47 -1.26 0.18 116.67 120.12 1xhs s ASP 107 Ca 0.14 -1.56 0.00 0.00 1.18 0.00 0.00 52.55 52.31 1xhs s ASP 107 Cb -0.06 0.49 -0.00 0.00 -0.34 0.00 0.00 42.92 43.00 1xhs s ASP 107 CO 0.17 -0.90 -0.00 0.79 0.68 0.00 0.00 175.17 175.91 1xhs n TRP 108 N -1.37 0.00 0.43 2.11 7.02 -1.26 -4.75 117.44 119.62 1xhs n TRP 108 Ca -0.15 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.44 1xhs n TRP 108 Cb 0.66 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 29.46 1xhs n TRP 108 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1xhs n LEU 109 N -2.24 0.50 0.00 -0.99 4.32 -1.26 -4.95 117.00 112.38 1xhs n LEU 109 Ca -0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1xhs n LEU 109 Cb 0.51 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1xhs n LEU 109 CO 0.01 0.06 0.00 -0.90 -1.22 0.00 0.00 177.39 175.34 1xhs n ASP 110 N -2.01 -1.31 -3.68 -1.43 5.68 -1.26 -4.81 116.55 107.72 1xhs n ASP 110 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 1xhs n ASP 110 Cb 0.47 -2.37 -0.11 0.00 -1.14 0.00 0.00 41.12 37.97 1xhs n ASP 110 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xhs s ARG 111 N -1.07 1.67 0.00 0.11 0.52 -1.26 -4.90 118.95 114.03 1xhs s ARG 111 Ca 0.00 -2.65 0.25 0.00 -0.52 0.00 0.00 55.73 52.82 1xhs s ARG 111 Cb 0.00 -2.49 0.90 0.00 0.52 0.00 0.00 34.95 33.89 1xhs s ARG 111 CO 0.00 -1.30 1.65 -0.25 0.02 0.00 0.00 175.30 175.42 1xhs n ASP 112 N 2.58 1.66 0.00 0.23 8.00 -1.26 -5.15 116.55 122.62 1xhs n ASP 112 Ca 0.21 -1.60 0.13 0.00 0.71 0.00 0.00 54.79 54.24 1xhs n ASP 112 Cb 0.40 -0.04 0.77 0.00 -0.02 0.00 0.00 41.12 42.23 1xhs n ASP 112 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98