#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8z s LEU 12 N 0.00 2.88 0.40 1.04 1.43 -1.26 -5.02 118.68 118.16 1u8z s LEU 12 Ca 0.00 0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1u8z s LEU 12 Cb 0.00 -3.19 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 1u8z s LEU 12 CO 0.00 -1.51 1.45 0.00 0.23 0.00 0.00 176.35 176.52 1u8z s ALA 13 N -3.21 3.44 -0.15 4.21 0.00 -1.26 -4.76 121.76 120.03 1u8z s ALA 13 Ca 0.59 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.07 1u8z s ALA 13 Cb -0.11 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1u8z s ALA 13 CO 0.45 -1.08 -0.18 -1.17 0.00 0.00 0.00 175.76 173.78 1u8z s LEU 14 N -2.31 2.30 -0.25 0.00 2.96 -1.26 -0.78 118.68 119.34 1u8z s LEU 14 Ca 0.56 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1u8z s LEU 14 Cb -0.45 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1u8z s LEU 14 CO 0.60 0.07 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.67 1u8z s HIS 15 N 0.89 3.04 -0.39 5.38 3.76 -0.23 -5.00 115.29 122.74 1u8z s HIS 15 Ca -0.05 -1.20 -0.16 0.00 -0.15 0.00 0.00 55.06 53.51 1u8z s HIS 15 Cb -0.15 -2.12 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1u8z s HIS 15 CO -0.02 -0.63 0.38 0.15 -0.85 0.00 0.00 174.74 173.77 1u8z s LYS 16 N 1.42 3.25 -0.07 1.40 1.02 -1.26 -0.94 119.74 124.56 1u8z s LYS 16 Ca 0.03 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 1u8z s LYS 16 Cb -0.16 -3.91 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1u8z s LYS 16 CO -0.03 -0.70 0.01 0.08 -0.92 0.00 0.00 175.35 173.79 1u8z s VAL 17 N 2.00 4.33 -0.10 3.17 1.01 0.72 -0.84 120.40 130.68 1u8z s VAL 17 Ca 0.10 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1u8z s VAL 17 Cb -0.17 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1u8z s VAL 17 CO 0.12 0.56 -0.22 -0.63 0.00 0.00 0.00 175.10 174.93 1u8z s ILE 18 N -0.93 1.97 -0.23 2.22 -1.09 -0.28 -0.86 121.20 122.01 1u8z s ILE 18 Ca 0.15 -0.96 -0.15 0.00 -2.23 0.00 0.00 60.65 57.45 1u8z s ILE 18 Cb -0.11 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1u8z s ILE 18 CO 0.04 0.54 0.39 -0.04 -1.23 0.00 0.00 174.94 174.64 1u8z s MET 19 N 0.46 4.10 0.20 2.79 -1.94 -0.00 -1.31 119.30 123.60 1u8z s MET 19 Ca -0.16 0.14 0.05 0.00 -1.71 0.00 0.00 55.69 54.01 1u8z s MET 19 Cb -0.17 -3.59 -0.05 0.00 2.01 0.00 0.00 34.83 33.03 1u8z s MET 19 CO 0.06 -0.15 -0.08 0.14 -0.01 0.00 0.00 175.02 174.98 1u8z s VAL 20 N 1.67 1.33 0.00 -6.03 -7.23 -0.58 -3.14 120.40 106.42 1u8z s VAL 20 Ca 0.17 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1u8z s VAL 20 Cb -0.15 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1u8z s VAL 20 CO 0.09 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1u8z n GLY 21 N -0.34 3.91 3.59 2.32 0.00 -1.26 -0.85 105.19 112.56 1u8z n GLY 21 Ca -0.08 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1u8z n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u8z s SER 22 N 0.00 1.27 0.36 1.61 1.04 -1.26 -4.90 113.70 111.81 1u8z s SER 22 Ca 0.00 0.87 -0.28 0.00 0.48 0.00 0.00 55.95 57.02 1u8z s SER 22 Cb 0.00 -1.30 -0.11 0.00 0.10 0.00 0.00 66.02 64.71 1u8z s SER 22 CO 0.00 -3.94 1.41 -0.83 0.98 0.00 0.00 173.24 170.87 1u8z s GLY 23 N -3.60 2.96 0.00 7.32 0.00 -1.26 -3.36 107.32 109.38 1u8z s GLY 23 Ca 0.69 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1u8z s GLY 23 CO 0.57 2.12 0.00 0.61 0.00 0.00 0.00 173.10 176.41 1u8z n GLY 24 N 0.62 0.37 0.23 0.20 0.00 -1.26 -4.90 105.19 100.44 1u8z n GLY 24 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1u8z n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1u8z h VAL 25 N 0.00 0.26 0.00 1.61 -1.51 -1.92 -3.47 116.25 111.21 1u8z h VAL 25 Ca 0.00 -1.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1u8z h VAL 25 Cb 0.30 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1u8z h VAL 25 CO 0.00 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 177.07 1u8z n GLY 26 N 0.58 1.94 0.08 5.19 0.00 -1.26 -4.45 105.19 107.27 1u8z n GLY 26 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1u8z n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8z h LYS 27 N 0.00 0.08 -0.27 1.61 1.57 -1.91 -0.40 116.57 117.25 1u8z h LYS 27 Ca 0.00 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1u8z h LYS 27 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1u8z h LYS 27 CO 0.00 0.05 -0.21 0.77 -0.57 0.00 0.00 179.45 179.50 1u8z h SER 28 N 0.08 0.65 -0.81 0.86 0.02 -1.96 -2.04 113.55 110.35 1u8z h SER 28 Ca 0.05 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1u8z h SER 28 Cb 0.04 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1u8z h SER 28 CO -0.07 0.96 0.44 0.00 -1.14 0.00 0.00 176.83 177.02 1u8z h ALA 29 N 0.71 1.04 -0.43 3.77 0.00 -1.78 0.48 119.26 123.05 1u8z h ALA 29 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1u8z h ALA 29 Cb 0.75 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u8z h ALA 29 CO 0.05 0.55 0.07 -0.07 0.00 0.00 0.00 179.25 179.86 1u8z h LEU 30 N 1.12 0.68 -0.13 0.00 3.38 -1.05 -0.48 115.31 118.84 1u8z h LEU 30 Ca 0.28 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u8z h LEU 30 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1u8z h LEU 30 CO -0.04 0.77 0.07 0.74 0.09 0.00 0.00 178.44 180.06 1u8z h THR 31 N 0.57 1.09 -0.01 0.22 2.02 -0.90 -1.13 112.91 114.76 1u8z h THR 31 Ca 0.13 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 1u8z h THR 31 Cb 0.37 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1u8z h THR 31 CO 0.01 0.08 -0.49 -0.07 0.37 0.00 0.00 175.52 175.42 1u8z h LEU 32 N 0.11 0.03 -0.27 2.58 3.38 -0.87 0.58 115.31 120.86 1u8z h LEU 32 Ca 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1u8z h LEU 32 Cb 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1u8z h LEU 32 CO -0.01 0.52 -0.15 -0.61 0.09 0.00 0.00 178.44 178.28 1u8z h GLN 33 N 0.03 0.57 -0.37 1.13 5.75 -0.90 0.18 115.11 121.49 1u8z h GLN 33 Ca -0.00 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.21 1u8z h GLN 33 Cb 0.88 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1u8z h GLN 33 CO 0.07 0.83 0.10 0.35 -2.65 0.00 0.00 178.83 177.53 1u8z h PHE 34 N 0.31 0.61 0.07 3.99 3.57 -0.93 0.19 116.94 124.74 1u8z h PHE 34 Ca 0.06 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1u8z h PHE 34 Cb 0.67 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1u8z h PHE 34 CO 0.06 0.59 -0.03 0.52 -2.23 0.00 0.00 178.31 177.22 1u8z h MET 35 N 0.45 -0.09 -0.13 1.11 2.86 -0.83 -3.39 114.93 114.91 1u8z h MET 35 Ca 0.12 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u8z h MET 35 Cb 0.28 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1u8z h MET 35 CO -0.00 0.39 0.00 0.66 1.06 0.00 0.00 176.91 179.02 1u8z n TYR 36 N -4.89 0.17 -3.82 -0.22 4.02 0.62 -5.01 117.16 108.04 1u8z n TYR 36 Ca -0.08 -0.35 -0.28 0.00 -0.01 0.00 0.00 57.90 57.18 1u8z n TYR 36 Cb 0.27 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.60 1u8z n TYR 36 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u8z n ASP 37 N 0.12 -4.55 -3.90 7.72 2.03 0.05 -4.98 116.55 113.04 1u8z n ASP 37 Ca 0.05 -0.74 -0.11 0.00 0.52 0.00 0.00 54.79 54.52 1u8z n ASP 37 Cb 0.28 -4.15 -0.12 0.00 -0.72 0.00 0.00 41.12 36.41 1u8z n ASP 37 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1u8z s GLU 38 N -6.45 0.16 -0.53 -0.67 2.12 -1.25 -5.02 118.70 107.05 1u8z s GLU 38 Ca 0.55 -0.23 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 1u8z s GLU 38 Cb -0.27 0.06 0.07 0.00 0.26 0.00 0.00 34.13 34.26 1u8z s GLU 38 CO 0.81 -0.03 0.63 0.12 -0.54 0.00 0.00 175.26 176.25 1u8z s PHE 39 N -0.61 3.05 -0.32 5.30 5.36 -1.26 -3.36 117.98 126.14 1u8z s PHE 39 Ca -0.07 -0.70 -0.17 0.00 -0.96 0.00 0.00 56.93 55.03 1u8z s PHE 39 Cb -0.04 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 1u8z s PHE 39 CO -0.00 -1.09 0.47 0.08 -1.46 0.00 0.00 175.22 173.22 1u8z s VAL 40 N 2.56 5.07 -1.58 3.12 1.01 -1.26 -4.96 120.40 124.35 1u8z s VAL 40 Ca 0.13 0.44 0.23 0.00 0.00 0.00 0.00 61.98 62.77 1u8z s VAL 40 Cb -0.21 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1u8z s VAL 40 CO 0.10 -0.09 1.11 -0.62 0.00 0.00 0.00 175.10 175.60 1u8z n GLU 41 N 5.59 0.67 -0.96 2.72 1.02 -1.26 -4.50 120.64 123.93 1u8z n GLU 41 Ca -0.06 -0.53 0.05 0.00 -0.02 0.00 0.00 57.16 56.60 1u8z n GLU 41 Cb 0.49 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.56 1u8z n GLU 41 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1u8z n ASP 42 N -0.70 1.42 -4.69 1.62 5.68 -1.26 -5.06 116.55 113.56 1u8z n ASP 42 Ca 0.08 -3.13 -0.42 0.00 -0.50 0.00 0.00 54.79 50.82 1u8z n ASP 42 Cb 0.40 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 1u8z n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1u8z s TYR 43 N -1.92 2.52 -0.41 2.11 5.04 -1.26 -4.82 117.35 118.61 1u8z s TYR 43 Ca 0.36 0.42 -0.37 0.00 -2.44 0.00 0.00 57.07 55.05 1u8z s TYR 43 Cb 0.37 -3.90 -0.16 0.00 0.35 0.00 0.00 41.96 38.62 1u8z s TYR 43 CO -0.11 -3.58 1.62 -1.91 -1.34 0.00 0.00 175.55 170.24 1u8z n GLU 44 N 5.52 0.00 -0.10 4.97 4.07 -1.26 -4.80 120.64 129.05 1u8z n GLU 44 Ca 0.15 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.45 1u8z n GLU 44 Cb 0.41 -1.23 0.62 0.00 -0.06 0.00 0.00 31.44 31.18 1u8z n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1u8z h PRO 45 N 6.42 0.17 -0.12 5.31 0.11 -2.00 -2.19 132.00 139.70 1u8z h PRO 45 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1u8z h PRO 45 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u8z h PRO 45 CO 0.87 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 179.02 1u8z n THR 46 N -4.41 0.14 -3.18 -1.15 -2.24 -1.26 -4.85 114.28 97.33 1u8z n THR 46 Ca 0.13 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 1u8z n THR 46 Cb 0.63 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 1u8z n THR 46 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1u8z s LYS 47 N -1.86 4.09 -0.16 -0.78 2.20 -0.83 -4.85 119.74 117.56 1u8z s LYS 47 Ca 0.34 0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 56.31 1u8z s LYS 47 Cb 0.20 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1u8z s LYS 47 CO 0.31 -0.38 0.07 0.00 -0.36 0.00 0.00 175.35 174.99 1u8z s ALA 48 N 2.39 3.48 0.21 3.13 0.00 -1.26 -4.63 121.76 125.06 1u8z s ALA 48 Ca 0.23 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1u8z s ALA 48 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1u8z s ALA 48 CO 0.09 0.32 0.35 0.34 0.00 0.00 0.00 175.76 176.86 1u8z s ASP 49 N -0.07 -0.01 0.15 0.00 -1.08 -0.90 -5.01 116.67 109.76 1u8z s ASP 49 Ca 0.07 -0.96 0.11 0.00 -0.52 0.00 0.00 52.55 51.24 1u8z s ASP 49 Cb -0.12 0.49 -0.04 0.00 -1.46 0.00 0.00 42.92 41.79 1u8z s ASP 49 CO 0.01 -0.99 -0.25 -0.94 0.52 0.00 0.00 175.17 173.52 1u8z s SER 50 N -3.02 3.24 0.06 -0.34 1.04 -1.26 -0.49 113.70 112.94 1u8z s SER 50 Ca 0.23 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1u8z s SER 50 Cb 0.02 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 1u8z s SER 50 CO 0.06 0.13 -0.07 -0.31 0.98 0.00 0.00 173.24 174.03 1u8z s TYR 51 N -1.34 0.74 -0.09 5.02 1.51 0.58 -4.96 117.35 118.81 1u8z s TYR 51 Ca 0.16 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 1u8z s TYR 51 Cb -0.09 -0.44 0.03 0.00 -0.11 0.00 0.00 41.96 41.35 1u8z s TYR 51 CO 0.07 -0.10 0.23 0.50 -1.11 0.00 0.00 175.55 175.14 1u8z s ARG 52 N -2.25 0.23 0.02 -0.62 3.52 -1.26 -0.02 118.95 118.57 1u8z s ARG 52 Ca -0.03 0.40 -0.21 0.00 -0.13 0.00 0.00 55.73 55.75 1u8z s ARG 52 Cb -0.05 0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.40 1u8z s ARG 52 CO -0.01 -0.09 0.48 -1.59 -0.81 0.00 0.00 175.30 173.28 1u8z s LYS 53 N 0.60 0.94 -0.08 5.12 -2.85 -0.70 -5.00 119.74 117.78 1u8z s LYS 53 Ca -0.04 -0.17 -0.17 0.00 -1.00 0.00 0.00 55.97 54.59 1u8z s LYS 53 Cb -0.05 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1u8z s LYS 53 CO -0.03 -0.32 0.43 0.15 0.10 0.00 0.00 175.35 175.68 1u8z s LYS 54 N -2.04 4.19 0.15 1.78 1.02 -1.26 -1.07 119.74 122.51 1u8z s LYS 54 Ca -0.08 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.31 1u8z s LYS 54 Cb -0.01 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1u8z s LYS 54 CO 0.01 0.36 0.05 0.14 -0.92 0.00 0.00 175.35 174.98 1u8z s VAL 55 N -0.00 0.26 -0.29 3.17 -7.23 -0.06 -4.98 120.40 111.28 1u8z s VAL 55 Ca 0.24 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1u8z s VAL 55 Cb -0.15 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1u8z s VAL 55 CO 0.11 -0.44 0.14 -0.69 -0.31 0.00 0.00 175.10 173.91 1u8z s VAL 56 N -3.94 4.66 -0.31 1.32 1.01 -1.26 -0.39 120.40 121.48 1u8z s VAL 56 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1u8z s VAL 56 Cb 0.07 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1u8z s VAL 56 CO 0.03 0.15 0.05 -0.22 0.00 0.00 0.00 175.10 175.11 1u8z s LEU 57 N 1.64 4.02 -1.34 3.92 2.96 0.10 -4.71 118.68 125.27 1u8z s LEU 57 Ca 0.05 -1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 1u8z s LEU 57 Cb -0.16 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1u8z s LEU 57 CO 0.06 -0.27 0.49 0.47 -1.32 0.00 0.00 176.35 175.78 1u8z n ASP 58 N 4.74 -1.84 0.00 3.68 8.00 -1.26 -1.29 116.55 128.59 1u8z n ASP 58 Ca -0.13 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1u8z n ASP 58 Cb 0.45 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 1u8z n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8z n GLY 59 N -2.01 2.53 3.45 0.44 0.00 -1.26 -5.01 105.19 103.33 1u8z n GLY 59 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1u8z n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u8z s GLU 60 N -0.13 3.41 -0.01 1.61 2.12 -0.41 -5.08 118.70 120.21 1u8z s GLU 60 Ca 0.00 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1u8z s GLU 60 Cb 0.00 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1u8z s GLU 60 CO 0.00 0.29 1.10 -2.00 -0.54 0.00 0.00 175.26 174.11 1u8z s GLU 61 N 0.19 4.45 0.17 4.30 2.12 -1.26 0.02 118.70 128.70 1u8z s GLU 61 Ca -0.05 1.58 0.01 0.00 0.36 0.00 0.00 54.97 56.87 1u8z s GLU 61 Cb -0.14 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1u8z s GLU 61 CO 0.04 -0.25 0.03 0.14 -0.54 0.00 0.00 175.26 174.68 1u8z s VAL 62 N 1.47 0.47 -0.11 3.70 -7.23 0.47 -4.50 120.40 114.66 1u8z s VAL 62 Ca 0.54 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1u8z s VAL 62 Cb -0.24 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1u8z s VAL 62 CO 0.25 -0.41 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.97 1u8z s GLN 63 N -3.98 3.23 -0.07 4.82 0.74 0.04 -0.88 119.66 123.56 1u8z s GLN 63 Ca 0.26 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1u8z s GLN 63 Cb 0.07 -2.68 -0.02 0.00 1.10 0.00 0.00 33.01 31.47 1u8z s GLN 63 CO 0.04 0.38 -0.16 -1.50 -0.55 0.00 0.00 175.29 173.50 1u8z s ILE 64 N -0.06 2.83 -0.11 -2.34 2.07 -0.23 -1.06 121.20 122.30 1u8z s ILE 64 Ca -0.01 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 1u8z s ILE 64 Cb -0.14 -2.11 -0.00 0.00 0.13 0.00 0.00 42.46 40.34 1u8z s ILE 64 CO 0.03 0.57 -0.21 -0.62 -1.91 0.00 0.00 174.94 172.80 1u8z s ASP 65 N -0.31 3.35 -0.14 4.50 2.15 -0.12 -1.72 116.67 124.39 1u8z s ASP 65 Ca 0.02 -0.49 0.02 0.00 0.43 0.00 0.00 52.55 52.52 1u8z s ASP 65 Cb -0.13 -1.47 0.01 0.00 -0.30 0.00 0.00 42.92 41.04 1u8z s ASP 65 CO 0.03 0.16 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.37 1u8z s ILE 66 N 0.34 1.82 -0.35 4.11 1.01 0.97 -0.20 121.20 128.91 1u8z s ILE 66 Ca -0.17 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 1u8z s ILE 66 Cb -0.17 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1u8z s ILE 66 CO 0.08 0.50 0.21 -0.22 0.00 0.00 0.00 174.94 175.52 1u8z s LEU 67 N 1.04 4.51 -0.60 2.97 2.96 -0.04 -0.31 118.68 129.22 1u8z s LEU 67 Ca -0.03 -0.65 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 1u8z s LEU 67 Cb -0.15 -2.07 0.10 0.00 0.50 0.00 0.00 46.19 44.57 1u8z s LEU 67 CO -0.05 -0.28 0.73 -0.62 -1.32 0.00 0.00 176.35 174.80 1u8z s ASP 68 N 1.64 6.18 0.62 3.68 2.15 0.36 -0.82 116.67 130.49 1u8z s ASP 68 Ca 0.05 -1.38 -0.13 0.00 0.43 0.00 0.00 52.55 51.52 1u8z s ASP 68 Cb -0.18 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1u8z s ASP 68 CO 0.08 -1.14 1.04 0.42 -0.17 0.00 0.00 175.17 175.40 1u8z s THR 69 N 2.82 4.27 0.00 1.71 -4.23 -1.19 -2.11 115.64 116.91 1u8z s THR 69 Ca 0.13 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 1u8z s THR 69 Cb -0.23 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1u8z s THR 69 CO 0.07 -0.84 0.42 0.00 -0.54 0.00 0.00 174.62 173.72 1u8z n ALA 70 N -2.52 1.57 -1.50 3.99 0.00 -1.26 -4.86 120.51 115.93 1u8z n ALA 70 Ca 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1u8z n ALA 70 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 1u8z n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8z n GLY 71 N -0.06 -2.91 3.39 0.00 0.00 -1.26 -4.84 105.19 99.51 1u8z n GLY 71 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1u8z n GLY 71 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u8z n TYR 75 N 0.00 -1.64 -0.34 1.61 4.02 -1.26 -5.18 117.16 114.38 1u8z n TYR 75 Ca -0.00 0.23 0.08 0.00 -0.01 0.00 0.00 57.90 58.20 1u8z n TYR 75 Cb 0.00 -1.77 0.27 0.00 -0.02 0.00 0.00 39.34 37.82 1u8z n TYR 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u8z h ALA 76 N -1.43 1.59 -0.85 -0.72 0.00 -2.05 -2.00 119.26 113.80 1u8z h ALA 76 Ca -0.44 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1u8z h ALA 76 Cb 1.29 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1u8z h ALA 76 CO 0.34 0.16 0.51 0.00 0.00 0.00 0.00 179.25 180.26 1u8z h ALA 77 N 1.56 1.19 0.00 0.00 0.00 -2.05 -0.99 119.26 118.97 1u8z h ALA 77 Ca 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1u8z h ALA 77 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u8z h ALA 77 CO -0.25 0.19 -0.00 0.82 0.00 0.00 0.00 179.25 180.00 1u8z h ILE 78 N 0.88 1.14 -0.75 0.00 2.04 -1.80 -1.42 117.51 117.60 1u8z h ILE 78 Ca 0.39 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1u8z h ILE 78 Cb 0.28 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1u8z h ILE 78 CO -0.21 0.11 0.37 -0.09 0.00 0.00 0.00 178.15 178.32 1u8z h ARG 79 N -0.18 1.07 -0.69 2.37 1.12 -1.44 -2.33 114.38 114.29 1u8z h ARG 79 Ca -0.00 -0.15 -0.06 0.00 -1.11 0.00 0.00 59.98 58.65 1u8z h ARG 79 Cb 0.18 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 1u8z h ARG 79 CO 0.00 0.83 0.18 -0.44 -3.11 0.00 0.00 179.97 177.43 1u8z h ASP 80 N 1.05 1.04 -0.48 -3.80 5.19 -1.11 -1.95 116.42 116.35 1u8z h ASP 80 Ca 0.26 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1u8z h ASP 80 Cb 0.11 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 1u8z h ASP 80 CO -0.03 0.99 0.16 0.78 -3.12 0.00 0.00 179.24 178.02 1u8z h ASN 81 N 1.03 0.73 -0.44 6.45 2.35 -0.99 -0.27 115.58 124.44 1u8z h ASN 81 Ca 0.22 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1u8z h ASN 81 Cb 0.35 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1u8z h ASN 81 CO 0.00 0.69 -0.05 1.88 -1.65 0.00 0.00 177.43 178.30 1u8z h TYR 82 N 0.77 0.91 -0.49 1.19 0.99 -1.09 -1.89 116.97 117.35 1u8z h TYR 82 Ca 0.18 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1u8z h TYR 82 Cb 0.23 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 1u8z h TYR 82 CO 0.01 0.90 -0.05 0.74 -0.00 0.00 0.00 178.16 179.76 1u8z h PHE 83 N 0.65 0.93 -0.40 4.88 0.05 -0.95 -2.40 116.94 119.70 1u8z h PHE 83 Ca 0.12 -0.16 -0.04 0.00 3.82 0.00 0.00 57.97 61.71 1u8z h PHE 83 Cb 0.57 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 38.26 1u8z h PHE 83 CO 0.04 0.87 0.06 0.00 -0.18 0.00 0.00 178.31 179.11 1u8z h ARG 84 N 0.79 0.61 0.00 1.51 3.08 -0.84 -2.31 114.38 117.22 1u8z h ARG 84 Ca 0.14 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1u8z h ARG 84 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1u8z h ARG 84 CO 0.03 0.58 -0.36 0.66 -1.07 0.00 0.00 179.97 179.82 1u8z h SER 85 N 0.59 0.00 -3.92 7.04 4.64 -0.99 -3.45 113.55 117.46 1u8z h SER 85 Ca 0.13 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.95 1u8z h SER 85 Cb 0.28 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1u8z h SER 85 CO 0.00 0.36 0.47 -0.83 -0.87 0.00 0.00 176.83 175.96 1u8z s GLY 86 N -4.35 2.87 -0.05 -0.77 0.00 -0.87 -4.89 107.32 99.25 1u8z s GLY 86 Ca 0.01 0.87 0.15 0.00 0.00 0.00 0.00 44.72 45.75 1u8z s GLY 86 CO 0.68 1.38 0.26 1.18 0.00 0.00 0.00 173.10 176.60 1u8z n GLU 87 N 0.28 0.79 -3.80 2.90 1.02 -0.02 -5.00 120.64 116.82 1u8z n GLU 87 Ca 0.03 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1u8z n GLU 87 Cb 0.47 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1u8z n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u8z s GLY 88 N -4.04 -0.06 -0.03 0.62 0.00 -0.85 -4.12 107.32 98.84 1u8z s GLY 88 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.70 1u8z s GLY 88 CO 0.63 -0.19 -0.13 -1.36 0.00 0.00 0.00 173.10 172.05 1u8z s PHE 89 N -2.00 1.26 -0.37 1.90 0.40 -0.45 -1.12 117.98 117.59 1u8z s PHE 89 Ca -0.09 -0.30 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1u8z s PHE 89 Cb -0.03 -0.85 0.04 0.00 0.51 0.00 0.00 43.02 42.68 1u8z s PHE 89 CO -0.00 -0.09 0.19 -0.51 0.70 0.00 0.00 175.22 175.51 1u8z s LEU 90 N -0.03 4.68 -0.59 -0.37 1.43 -0.43 -1.60 118.68 121.77 1u8z s LEU 90 Ca -0.00 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 1u8z s LEU 90 Cb -0.08 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.26 1u8z s LEU 90 CO 0.01 -0.39 0.70 0.00 0.23 0.00 0.00 176.35 176.89 1u8z s VAL 92 N 2.65 5.30 0.14 0.00 1.01 -0.03 -0.65 120.40 128.81 1u8z s VAL 92 Ca 0.11 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1u8z s VAL 92 Cb -0.24 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1u8z s VAL 92 CO 0.06 0.52 0.10 0.72 0.00 0.00 0.00 175.10 176.50 1u8z s PHE 93 N -1.14 0.81 -0.19 5.22 -0.71 -0.44 -4.18 117.98 117.35 1u8z s PHE 93 Ca 0.22 -1.17 -0.08 0.00 -1.04 0.00 0.00 56.93 54.85 1u8z s PHE 93 Cb -0.14 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1u8z s PHE 93 CO 0.11 -0.56 0.09 0.45 -1.34 0.00 0.00 175.22 173.96 1u8z s SER 94 N -3.04 5.84 0.07 1.98 0.15 -1.26 -0.77 113.70 116.67 1u8z s SER 94 Ca 0.24 0.14 0.12 0.00 0.70 0.00 0.00 55.95 57.15 1u8z s SER 94 Cb 0.07 -2.01 0.53 0.00 -1.71 0.00 0.00 66.02 62.90 1u8z s SER 94 CO 0.02 0.18 1.37 2.30 1.20 0.00 0.00 173.24 178.31 1u8z n ILE 95 N 3.51 1.31 1.19 6.45 -5.35 -0.55 -1.57 119.36 124.35 1u8z n ILE 95 Ca -0.16 0.38 0.12 0.00 -0.27 0.00 0.00 62.75 62.82 1u8z n ILE 95 Cb 0.52 -1.27 0.26 0.00 -1.74 0.00 0.00 39.64 37.41 1u8z n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u8z n THR 96 N -1.69 0.00 -3.75 7.28 -2.24 -1.26 0.72 114.28 113.34 1u8z n THR 96 Ca 0.02 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1u8z n THR 96 Cb 0.11 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.98 1u8z n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u8z s GLU 97 N -2.35 0.76 0.34 -0.78 2.12 -0.61 -4.48 118.70 113.69 1u8z s GLU 97 Ca 0.25 -0.95 0.06 0.00 0.36 0.00 0.00 54.97 54.70 1u8z s GLU 97 Cb 0.19 -2.04 0.73 0.00 0.26 0.00 0.00 34.13 33.27 1u8z s GLU 97 CO 0.48 -0.90 1.88 1.98 -0.54 0.00 0.00 175.26 178.16 1u8z h MET 98 N 8.11 0.77 -0.32 4.30 1.85 -1.85 -1.26 114.93 126.53 1u8z h MET 98 Ca -0.14 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 1u8z h MET 98 Cb 1.04 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.88 1u8z h MET 98 CO 0.44 0.51 0.15 0.93 -0.40 0.00 0.00 176.91 178.54 1u8z h GLU 99 N 0.79 0.44 0.00 0.39 3.07 -1.94 -0.77 114.58 116.56 1u8z h GLU 99 Ca 0.43 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 1u8z h GLU 99 Cb 0.57 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1u8z h GLU 99 CO -0.20 0.35 -0.55 0.66 -1.40 0.00 0.00 179.01 177.87 1u8z h SER 100 N 0.45 0.00 -0.20 1.42 4.64 -1.55 -1.48 113.55 116.83 1u8z h SER 100 Ca 0.11 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1u8z h SER 100 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1u8z h SER 100 CO -0.02 0.55 -0.37 0.15 -0.87 0.00 0.00 176.83 176.27 1u8z h PHE 101 N 0.00 0.76 -0.98 4.77 3.57 -1.18 -2.98 116.94 120.90 1u8z h PHE 101 Ca -0.01 -0.27 0.06 0.00 3.53 0.00 0.00 57.97 61.28 1u8z h PHE 101 Cb 0.98 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 1u8z h PHE 101 CO 0.00 1.02 0.63 0.00 -2.23 0.00 0.00 178.31 177.73 1u8z h ALA 102 N 0.60 1.34 0.00 2.41 0.00 -0.93 -1.87 119.26 120.82 1u8z h ALA 102 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u8z h ALA 102 Cb 0.97 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1u8z h ALA 102 CO 0.08 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1u8z h ALA 103 N 1.43 1.00 0.00 0.00 0.00 -1.13 -2.85 119.26 117.72 1u8z h ALA 103 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1u8z h ALA 103 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u8z h ALA 103 CO -0.16 0.00 -0.03 1.79 0.00 0.00 0.00 179.25 180.85 1u8z h THR 104 N 0.00 0.66 -0.14 0.00 1.35 -1.25 -0.38 112.91 113.15 1u8z h THR 104 Ca 0.00 -0.13 -0.08 0.00 -0.55 0.00 0.00 66.41 65.66 1u8z h THR 104 Cb 0.24 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1u8z h THR 104 CO 0.00 0.03 -0.25 0.00 -0.25 0.00 0.00 175.52 175.05 1u8z h ALA 105 N 1.97 1.31 -0.16 6.62 0.00 -1.68 -0.76 119.26 126.57 1u8z h ALA 105 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1u8z h ALA 105 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u8z h ALA 105 CO 0.00 0.47 -0.05 -0.44 0.00 0.00 0.00 179.25 179.23 1u8z h ASP 106 N 0.23 0.31 -0.26 0.00 3.45 -1.26 -1.96 116.42 116.94 1u8z h ASP 106 Ca 0.04 -0.38 -0.09 0.00 0.43 0.00 0.00 57.03 57.02 1u8z h ASP 106 Cb 0.58 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 1u8z h ASP 106 CO 0.04 0.63 -0.15 -0.26 -1.57 0.00 0.00 179.24 177.92 1u8z h PHE 107 N -0.00 0.76 -0.46 4.55 -1.00 -1.32 -1.68 116.94 117.79 1u8z h PHE 107 Ca 0.04 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1u8z h PHE 107 Cb 0.50 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1u8z h PHE 107 CO 0.06 0.80 0.29 -0.09 -1.61 0.00 0.00 178.31 177.76 1u8z h ARG 108 N 0.62 0.61 -0.71 1.51 9.65 -1.08 -0.07 114.38 124.91 1u8z h ARG 108 Ca 0.10 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1u8z h ARG 108 Cb 0.61 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 1u8z h ARG 108 CO 0.04 0.43 0.28 1.49 2.80 0.00 0.00 179.97 185.01 1u8z h GLU 109 N 0.62 1.07 -0.41 0.20 4.22 -1.04 -1.13 114.58 118.11 1u8z h GLU 109 Ca 0.17 -0.20 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 1u8z h GLU 109 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1u8z h GLU 109 CO -0.03 0.89 0.07 1.96 -2.18 0.00 0.00 179.01 179.71 1u8z h GLN 110 N 1.02 0.67 -0.40 1.92 4.20 -0.93 -0.91 115.11 120.68 1u8z h GLN 110 Ca 0.24 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1u8z h GLN 110 Cb 0.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1u8z h GLN 110 CO -0.02 0.71 0.17 0.82 -0.67 0.00 0.00 178.83 179.84 1u8z h ILE 111 N 0.53 1.19 -0.32 2.54 2.04 -0.85 -1.53 117.51 121.10 1u8z h ILE 111 Ca 0.12 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 1u8z h ILE 111 Cb 0.36 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1u8z h ILE 111 CO 0.01 0.21 -0.13 -0.07 0.00 0.00 0.00 178.15 178.16 1u8z h LEU 112 N 0.50 0.55 -0.19 1.44 3.38 -1.11 0.16 115.31 120.04 1u8z h LEU 112 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1u8z h LEU 112 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1u8z h LEU 112 CO -0.01 0.71 0.06 -0.09 0.09 0.00 0.00 178.44 179.19 1u8z h ARG 113 N 0.52 0.29 -0.05 1.13 2.43 -0.86 0.20 114.38 118.03 1u8z h ARG 113 Ca 0.09 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1u8z h ARG 113 Cb 0.53 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1u8z h ARG 113 CO 0.03 0.41 -0.32 0.28 -1.51 0.00 0.00 179.97 178.86 1u8z h VAL 114 N 0.12 1.44 0.00 0.20 2.07 -1.11 -3.32 116.25 115.65 1u8z h VAL 114 Ca 0.06 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1u8z h VAL 114 Cb 0.24 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1u8z h VAL 114 CO -0.00 0.50 -0.15 0.11 0.02 0.00 0.00 177.57 178.05 1u8z h LYS 115 N -0.21 0.00 -6.30 1.57 1.79 -0.75 -3.47 116.57 109.20 1u8z h LYS 115 Ca -0.02 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.96 1u8z h LYS 115 Cb 0.98 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.54 1u8z h LYS 115 CO 0.07 0.10 -0.75 0.39 -1.08 0.00 0.00 179.45 178.18 1u8z n GLU 116 N -3.11 -4.67 -3.40 3.15 1.02 0.69 -4.95 120.64 109.38 1u8z n GLU 116 Ca 0.03 0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 57.58 1u8z n GLU 116 Cb 0.58 -5.37 -0.10 0.00 -0.02 0.00 0.00 31.44 26.53 1u8z n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u8z s ASP 117 N -3.22 0.67 0.00 1.62 2.15 -1.26 -5.00 116.67 111.63 1u8z s ASP 117 Ca 0.66 0.05 0.17 0.00 0.43 0.00 0.00 52.55 53.86 1u8z s ASP 117 Cb -0.34 0.84 0.84 0.00 -0.30 0.00 0.00 42.92 43.96 1u8z s ASP 117 CO 0.81 -0.31 1.51 -0.62 -0.17 0.00 0.00 175.17 176.39 1u8z n GLU 118 N 5.35 0.21 -0.44 4.34 1.02 -1.26 -2.23 120.64 127.62 1u8z n GLU 118 Ca -0.04 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.31 1u8z n GLU 118 Cb 0.50 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.68 1u8z n GLU 118 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1u8z n ASN 119 N -1.32 3.94 -4.76 1.62 3.02 -1.26 -5.01 115.26 111.49 1u8z n ASN 119 Ca 0.07 -2.71 -0.41 0.00 -0.03 0.00 0.00 54.58 51.50 1u8z n ASN 119 Cb 0.14 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 1u8z n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u8z s VAL 120 N -2.28 2.13 -0.08 2.41 0.11 -0.94 -4.84 120.40 116.90 1u8z s VAL 120 Ca 0.40 0.11 -0.37 0.00 -2.93 0.00 0.00 61.98 59.19 1u8z s VAL 120 Cb 0.30 -3.07 -0.15 0.00 -1.53 0.00 0.00 36.38 31.93 1u8z s VAL 120 CO 0.13 0.02 1.66 -2.65 -3.33 0.00 0.00 175.10 170.93 1u8z n PRO 121 N 1.78 1.55 -3.64 1.54 -0.02 -1.26 -4.91 135.00 130.04 1u8z n PRO 121 Ca 0.06 0.56 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 1u8z n PRO 121 Cb 0.38 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1u8z n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u8z s PHE 122 N 2.56 -1.06 -0.04 6.00 5.36 -1.26 -1.34 117.98 128.20 1u8z s PHE 122 Ca 0.91 2.12 0.05 0.00 -0.96 0.00 0.00 56.93 59.05 1u8z s PHE 122 Cb -0.89 0.63 -0.01 0.00 -0.34 0.00 0.00 43.02 42.41 1u8z s PHE 122 CO 0.54 -0.52 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.06 1u8z s LEU 123 N 1.60 1.98 -0.26 6.12 1.43 -0.63 -4.25 118.68 124.67 1u8z s LEU 123 Ca -0.10 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 1u8z s LEU 123 Cb -0.05 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1u8z s LEU 123 CO -0.19 0.19 0.61 -0.22 0.23 0.00 0.00 176.35 176.97 1u8z s LEU 124 N -0.08 4.06 -0.23 1.79 2.96 -0.65 -0.94 118.68 125.59 1u8z s LEU 124 Ca -0.02 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1u8z s LEU 124 Cb -0.12 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1u8z s LEU 124 CO 0.02 -0.36 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.92 1u8z s VAL 125 N 2.48 2.89 -0.54 1.68 1.01 0.18 -1.70 120.40 126.41 1u8z s VAL 125 Ca 0.25 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1u8z s VAL 125 Cb -0.15 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1u8z s VAL 125 CO 0.09 0.32 0.57 -0.83 0.00 0.00 0.00 175.10 175.25 1u8z s GLY 126 N 1.37 1.91 0.54 4.51 0.00 -0.27 -1.33 107.32 114.05 1u8z s GLY 126 Ca 0.03 -2.19 -0.02 0.00 0.00 0.00 0.00 44.72 42.54 1u8z s GLY 126 CO -0.06 1.36 0.79 0.21 0.00 0.00 0.00 173.10 175.40 1u8z s ASN 127 N 3.24 5.53 -0.48 1.64 2.47 0.05 -0.61 114.94 126.77 1u8z s ASN 127 Ca 0.08 0.34 -0.02 0.00 0.42 0.00 0.00 52.86 53.68 1u8z s ASN 127 Cb -0.25 -1.37 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 1u8z s ASN 127 CO 0.07 -0.99 0.21 0.29 -3.72 0.00 0.00 177.10 172.96 1u8z n LYS 128 N -2.36 -1.66 0.32 0.43 5.02 -0.30 -1.48 118.16 118.13 1u8z n LYS 128 Ca 0.04 0.28 0.20 0.00 -2.02 0.00 0.00 58.31 56.82 1u8z n LYS 128 Cb 0.58 -3.83 1.07 0.00 -0.02 0.00 0.00 35.03 32.84 1u8z n LYS 128 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u8z h SER 129 N -0.49 0.00 0.78 4.39 4.64 -1.39 -0.85 113.55 120.62 1u8z h SER 129 Ca -0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1u8z h SER 129 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1u8z h SER 129 CO 0.18 0.01 -0.01 -2.24 -0.87 0.00 0.00 176.83 173.90 1u8z h ASP 130 N 0.00 0.00 -1.09 4.97 2.03 -1.92 -3.06 116.42 117.36 1u8z h ASP 130 Ca -0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 1u8z h ASP 130 Cb 0.10 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.38 1u8z h ASP 130 CO 0.00 0.01 0.66 0.18 -1.03 0.00 0.00 179.24 179.06 1u8z n LEU 131 N -3.11 7.00 -0.34 0.15 4.77 -0.32 -4.67 117.00 120.48 1u8z n LEU 131 Ca -0.00 -4.08 0.16 0.00 -0.03 0.00 0.00 56.01 52.06 1u8z n LEU 131 Cb 0.25 -1.09 0.38 0.00 -2.33 0.00 0.00 43.42 40.64 1u8z n LEU 131 CO 0.26 1.54 1.19 -0.08 -1.33 0.00 0.00 177.39 178.97 1u8z h GLU 132 N 2.35 0.61 -0.89 3.23 4.57 -1.74 -0.68 114.58 122.03 1u8z h GLU 132 Ca 0.46 -0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.78 1u8z h GLU 132 Cb 0.65 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 1u8z h GLU 132 CO 1.14 0.41 0.58 0.22 -1.18 0.00 0.00 179.01 180.18 1u8z h ASP 133 N 0.63 0.49 -0.42 1.04 -0.00 -1.91 -1.89 116.42 114.37 1u8z h ASP 133 Ca 0.58 0.04 -0.07 0.00 -0.00 0.00 0.00 57.03 57.59 1u8z h ASP 133 Cb 1.09 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 40.33 1u8z h ASP 133 CO -0.37 0.21 0.05 0.29 -0.00 0.00 0.00 179.24 179.43 1u8z n LYS 134 N -4.54 3.20 -1.80 0.28 5.02 -0.27 -5.02 118.16 115.02 1u8z n LYS 134 Ca 0.19 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.07 1u8z n LYS 134 Cb 0.62 -1.98 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1u8z n LYS 134 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u8z s ARG 135 N -2.92 4.15 -0.00 1.97 3.52 -0.71 -4.40 118.95 120.55 1u8z s ARG 135 Ca 0.47 2.54 0.04 0.00 -0.13 0.00 0.00 55.73 58.64 1u8z s ARG 135 Cb 0.38 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 1u8z s ARG 135 CO 0.09 -0.65 0.10 1.04 -0.81 0.00 0.00 175.30 175.07 1u8z n GLN 136 N 3.07 2.12 -3.98 5.12 6.02 0.22 -4.94 117.38 125.01 1u8z n GLN 136 Ca 0.12 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.74 1u8z n GLN 136 Cb 0.37 -0.94 -0.15 0.00 1.02 0.00 0.00 30.24 30.55 1u8z n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1u8z s VAL 137 N -1.92 2.84 0.60 5.09 1.01 -0.80 -4.73 120.40 122.49 1u8z s VAL 137 Ca -0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1u8z s VAL 137 Cb 0.02 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1u8z s VAL 137 CO 0.15 0.39 1.08 -0.94 0.00 0.00 0.00 175.10 175.77 1u8z s SER 138 N 1.38 5.60 0.25 3.32 1.04 -1.26 -4.93 113.70 119.09 1u8z s SER 138 Ca 0.04 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.32 1u8z s SER 138 Cb -0.15 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.70 1u8z s SER 138 CO -0.06 -1.29 1.82 0.58 0.98 0.00 0.00 173.24 175.27 1u8z h VAL 139 N 0.42 1.24 -0.19 5.02 2.07 -1.99 -2.37 116.25 120.45 1u8z h VAL 139 Ca -0.47 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.33 1u8z h VAL 139 Cb 1.23 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1u8z h VAL 139 CO 0.56 0.31 -0.00 -0.08 0.02 0.00 0.00 177.57 178.38 1u8z h GLU 140 N 1.06 0.06 -0.28 1.57 4.57 -1.99 0.14 114.58 119.70 1u8z h GLU 140 Ca 0.25 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 1u8z h GLU 140 Cb 0.18 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1u8z h GLU 140 CO -0.02 0.04 -0.37 1.05 -1.18 0.00 0.00 179.01 178.52 1u8z h GLU 141 N 0.06 0.65 -0.34 1.92 4.11 -1.90 -0.64 114.58 118.44 1u8z h GLU 141 Ca 0.09 -0.32 -0.09 0.00 0.07 0.00 0.00 59.36 59.11 1u8z h GLU 141 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u8z h GLU 141 CO -0.16 0.92 -0.14 0.00 0.07 0.00 0.00 179.01 179.70 1u8z h ALA 142 N 1.05 0.47 -0.66 1.06 0.00 -1.18 -1.77 119.26 118.23 1u8z h ALA 142 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1u8z h ALA 142 Cb 0.89 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1u8z h ALA 142 CO 0.08 0.37 0.25 0.87 0.00 0.00 0.00 179.25 180.82 1u8z h LYS 143 N 0.46 0.99 -0.79 0.00 1.57 -0.64 -1.40 116.57 116.77 1u8z h LYS 143 Ca 0.08 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1u8z h LYS 143 Cb 0.67 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1u8z h LYS 143 CO 0.05 0.83 0.45 -0.97 -0.57 0.00 0.00 179.45 179.24 1u8z h ASN 144 N 0.93 0.96 -0.48 0.86 -1.24 -1.00 -0.50 115.58 115.12 1u8z h ASN 144 Ca 0.22 -0.08 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 1u8z h ASN 144 Cb 0.22 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1u8z h ASN 144 CO -0.02 0.76 0.02 -0.09 -1.29 0.00 0.00 177.43 176.82 1u8z h ARG 145 N 1.08 0.83 -0.69 6.67 2.43 -1.01 -1.78 114.38 121.91 1u8z h ARG 145 Ca 0.28 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1u8z h ARG 145 Cb -0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1u8z h ARG 145 CO -0.05 0.86 0.44 0.00 -1.51 0.00 0.00 179.97 179.71 1u8z h ALA 146 N 0.93 0.87 -0.62 2.80 0.00 -0.86 -1.50 119.26 120.88 1u8z h ALA 146 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u8z h ALA 146 Cb 0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1u8z h ALA 146 CO 0.02 0.31 0.29 -0.44 0.00 0.00 0.00 179.25 179.44 1u8z h ASP 147 N 0.93 0.81 0.22 0.00 3.32 -0.89 0.16 116.42 120.98 1u8z h ASP 147 Ca 0.25 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1u8z h ASP 147 Cb -0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1u8z h ASP 147 CO -0.05 0.72 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.36 1u8z h GLN 148 N 0.85 0.00 -0.01 3.56 4.15 -0.95 -1.18 115.11 121.53 1u8z h GLN 148 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1u8z h GLN 148 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1u8z h GLN 148 CO -0.03 0.22 -0.30 0.91 -1.93 0.00 0.00 178.83 177.70 1u8z n TRP 149 N -4.26 0.00 -3.48 3.99 8.01 -0.60 -4.95 117.44 116.15 1u8z n TRP 149 Ca -0.02 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.95 1u8z n TRP 149 Cb 0.28 -0.14 0.07 0.00 -2.01 0.00 0.00 31.31 29.51 1u8z n TRP 149 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1u8z n ASN 150 N -0.75 -5.94 -4.38 -0.99 5.15 0.38 -5.02 115.26 103.70 1u8z n ASN 150 Ca 0.11 -0.48 -0.19 0.00 -0.60 0.00 0.00 54.58 53.42 1u8z n ASN 150 Cb 0.35 -4.56 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 1u8z n ASN 150 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1u8z s VAL 151 N -3.28 1.25 0.24 3.44 -7.23 -0.07 -5.02 120.40 109.74 1u8z s VAL 151 Ca 0.53 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1u8z s VAL 151 Cb -0.23 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 1u8z s VAL 151 CO 0.65 -0.25 0.54 0.20 -0.31 0.00 0.00 175.10 175.92 1u8z s ASN 152 N -3.38 6.54 -0.09 4.85 0.01 -1.26 -4.13 114.94 117.48 1u8z s ASN 152 Ca 0.30 0.82 0.02 0.00 -0.71 0.00 0.00 52.86 53.29 1u8z s ASN 152 Cb 0.06 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1u8z s ASN 152 CO 0.11 -0.11 -0.16 -0.47 -1.51 0.00 0.00 177.10 174.96 1u8z s TYR 153 N -1.91 2.70 -0.01 2.20 5.04 -1.26 -1.64 117.35 122.47 1u8z s TYR 153 Ca 0.46 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1u8z s TYR 153 Cb -0.11 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.49 1u8z s TYR 153 CO 0.25 -0.09 0.00 0.08 -1.34 0.00 0.00 175.55 174.45 1u8z s VAL 154 N -0.09 0.07 -0.16 3.14 1.01 -0.69 -4.99 120.40 118.69 1u8z s VAL 154 Ca -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1u8z s VAL 154 Cb -0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1u8z s VAL 154 CO 0.04 0.06 0.15 -1.61 0.00 0.00 0.00 175.10 173.75 1u8z s GLU 155 N 0.44 3.89 0.28 2.72 2.02 -1.26 -1.11 118.70 125.67 1u8z s GLU 155 Ca -0.04 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 54.85 1u8z s GLU 155 Cb -0.06 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.79 1u8z s GLU 155 CO -0.01 0.49 -0.00 0.95 0.02 0.00 0.00 175.26 176.71 1u8z s THR 156 N -0.21 1.30 -0.20 3.63 -4.23 0.23 -4.64 115.64 111.51 1u8z s THR 156 Ca 0.12 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1u8z s THR 156 Cb -0.12 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1u8z s THR 156 CO 0.01 -0.22 0.12 -0.55 -0.54 0.00 0.00 174.62 173.45 1u8z s SER 157 N -3.41 2.43 0.58 3.99 0.15 -0.70 -1.14 113.70 115.59 1u8z s SER 157 Ca 0.31 -0.70 0.36 0.00 0.70 0.00 0.00 55.95 56.63 1u8z s SER 157 Cb 0.06 -0.15 1.64 0.00 -1.71 0.00 0.00 66.02 65.86 1u8z s SER 157 CO 0.12 -0.37 2.08 0.00 1.20 0.00 0.00 173.24 176.28 1u8z h ALA 158 N 8.40 1.01 0.03 5.45 0.00 -1.91 0.25 119.26 132.49 1u8z h ALA 158 Ca -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u8z h ALA 158 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u8z h ALA 158 CO 0.32 0.01 -0.01 -0.22 0.00 0.00 0.00 179.25 179.35 1u8z h LYS 159 N 0.00 -0.04 -0.00 0.00 3.64 -1.94 -3.35 116.57 114.88 1u8z h LYS 159 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u8z h LYS 159 Cb 0.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1u8z h LYS 159 CO 0.00 0.67 -0.51 0.25 -2.27 0.00 0.00 179.45 177.60 1u8z n THR 160 N -4.73 0.00 -0.99 1.00 -2.24 -1.19 -4.89 114.28 101.24 1u8z n THR 160 Ca -0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1u8z n THR 160 Cb 0.35 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1u8z n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u8z n ARG 161 N -1.26 -0.02 -1.68 -0.78 1.74 0.86 -4.99 116.66 110.53 1u8z n ARG 161 Ca 0.07 0.01 -0.46 0.00 -0.77 0.00 0.00 57.85 56.69 1u8z n ARG 161 Cb 0.34 -2.80 -0.04 0.00 -1.02 0.00 0.00 32.46 28.94 1u8z n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8z n ALA 162 N 1.00 1.18 -1.23 7.54 0.00 -1.04 -1.98 120.51 125.99 1u8z n ALA 162 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 1u8z n ALA 162 Cb 0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 19.45 16.90 1u8z n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u8z n ASN 163 N 6.28 -5.37 0.10 0.00 3.02 -1.26 -1.72 115.26 116.31 1u8z n ASN 163 Ca 0.21 0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.86 1u8z n ASN 163 Cb 0.32 -3.89 -0.08 0.00 -0.61 0.00 0.00 39.78 35.52 1u8z n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u8z h VAL 164 N 0.00 0.93 -0.55 2.41 2.07 -1.70 -2.23 116.25 117.19 1u8z h VAL 164 Ca -0.19 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 1u8z h VAL 164 Cb 1.09 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1u8z h VAL 164 CO 0.28 0.12 0.11 0.44 0.02 0.00 0.00 177.57 178.54 1u8z h ASP 165 N -0.49 0.80 -0.46 0.57 3.32 -1.90 -3.07 116.42 115.19 1u8z h ASP 165 Ca -0.02 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.96 1u8z h ASP 165 Cb 0.38 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 1u8z h ASP 165 CO 0.04 0.80 0.05 0.50 -1.72 0.00 0.00 179.24 178.90 1u8z h LYS 166 N 0.82 0.16 -0.65 3.56 3.64 -1.89 -0.15 116.57 122.06 1u8z h LYS 166 Ca 0.18 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1u8z h LYS 166 Cb 0.33 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1u8z h LYS 166 CO 0.00 0.11 0.13 -0.39 -2.27 0.00 0.00 179.45 177.03 1u8z h VAL 167 N 0.17 1.26 -0.30 2.00 -1.51 -1.30 0.20 116.25 116.76 1u8z h VAL 167 Ca 0.23 -0.98 -0.13 0.00 -1.23 0.00 0.00 66.70 64.59 1u8z h VAL 167 Cb 0.32 0.62 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1u8z h VAL 167 CO -0.34 0.37 -0.30 -0.26 -1.23 0.00 0.00 177.57 175.81 1u8z h PHE 168 N 0.99 0.88 -0.34 5.19 0.04 -1.46 -1.84 116.94 120.40 1u8z h PHE 168 Ca 0.20 -0.27 -0.17 0.00 2.80 0.00 0.00 57.97 60.53 1u8z h PHE 168 Cb 0.40 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1u8z h PHE 168 CO 0.03 1.02 -0.46 0.74 -0.60 0.00 0.00 178.31 179.04 1u8z h PHE 169 N 0.49 1.11 -0.85 -0.55 0.04 -0.90 -1.52 116.94 114.76 1u8z h PHE 169 Ca 0.05 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.42 1u8z h PHE 169 Cb 0.88 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 1u8z h PHE 169 CO 0.07 1.20 0.41 -0.44 -0.60 0.00 0.00 178.31 178.94 1u8z h ASP 170 N 0.71 1.11 -0.47 2.17 5.19 -0.62 -1.23 116.42 123.28 1u8z h ASP 170 Ca 0.04 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.19 1u8z h ASP 170 Cb 1.06 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1u8z h ASP 170 CO 0.11 0.93 -0.18 0.25 -3.12 0.00 0.00 179.24 177.23 1u8z h LEU 171 N 1.21 0.99 -1.13 1.55 5.85 -1.23 -2.43 115.31 120.12 1u8z h LEU 171 Ca 0.29 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1u8z h LEU 171 Cb 0.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1u8z h LEU 171 CO -0.04 1.14 0.26 0.24 -0.34 0.00 0.00 178.44 179.70 1u8z h MET 172 N 0.85 0.87 -0.25 1.25 2.86 -0.77 -0.85 114.93 118.89 1u8z h MET 172 Ca 0.12 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1u8z h MET 172 Cb 0.75 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1u8z h MET 172 CO 0.06 0.70 -0.12 0.00 1.06 0.00 0.00 176.91 178.61 1u8z h ARG 173 N 0.86 0.42 -0.26 1.72 3.08 -0.96 -0.08 114.38 119.16 1u8z h ARG 173 Ca 0.21 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1u8z h ARG 173 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1u8z h ARG 173 CO -0.02 0.54 -0.48 0.93 -1.07 0.00 0.00 179.97 179.87 1u8z h GLU 174 N 0.39 0.71 -0.52 0.04 5.08 -0.83 -1.77 114.58 117.68 1u8z h GLU 174 Ca 0.07 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1u8z h GLU 174 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1u8z h GLU 174 CO 0.03 1.03 0.04 0.82 -1.00 0.00 0.00 179.01 179.92 1u8z h ILE 175 N 0.56 1.26 -0.10 3.13 2.04 -0.74 -2.33 117.51 121.33 1u8z h ILE 175 Ca 0.03 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1u8z h ILE 175 Cb 1.04 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1u8z h ILE 175 CO 0.10 0.37 -0.10 -0.09 0.00 0.00 0.00 178.15 178.42 1u8z h ARG 176 N 0.77 0.15 -0.01 2.37 2.43 -0.89 -2.73 114.38 116.47 1u8z h ARG 176 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1u8z h ARG 176 Cb 0.47 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1u8z h ARG 176 CO 0.02 0.27 -0.20 0.00 -1.51 0.00 0.00 179.97 178.54 1u8z n ALA 177 N -2.50 2.97 0.00 2.80 0.00 -0.68 -5.09 120.51 118.01 1u8z n ALA 177 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1u8z n ALA 177 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1u8z n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04