#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xj0 s THR 2 N 0.00 2.22 0.02 1.12 2.01 -1.26 -4.80 115.64 114.95 1xj0 s THR 2 Ca 0.00 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1xj0 s THR 2 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1xj0 s THR 2 CO 0.00 0.02 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.23 1xj0 s GLU 3 N 0.14 2.38 -0.19 4.92 2.02 -1.26 -1.25 118.70 125.46 1xj0 s GLU 3 Ca 0.66 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.84 1xj0 s GLU 3 Cb -0.47 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.42 1xj0 s GLU 3 CO 0.41 0.58 -0.09 0.71 0.02 0.00 0.00 175.26 176.89 1xj0 s TYR 4 N -0.97 2.25 -0.40 1.61 2.02 0.02 -4.94 117.35 116.94 1xj0 s TYR 4 Ca 0.16 -1.46 -0.23 0.00 -0.37 0.00 0.00 57.07 55.17 1xj0 s TYR 4 Cb -0.11 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1xj0 s TYR 4 CO 0.07 -0.71 0.78 0.15 -1.57 0.00 0.00 175.55 174.27 1xj0 s LYS 5 N 1.45 3.62 0.05 -0.62 1.02 -1.26 -1.39 119.74 122.61 1xj0 s LYS 5 Ca -0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.18 1xj0 s LYS 5 Cb -0.16 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 1xj0 s LYS 5 CO -0.08 -0.95 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.81 1xj0 s LEU 6 N 3.17 3.12 -0.08 3.17 1.43 -0.10 -0.90 118.68 128.48 1xj0 s LEU 6 Ca 0.31 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1xj0 s LEU 6 Cb -0.13 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1xj0 s LEU 6 CO 0.19 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 176.22 1xj0 s VAL 7 N -1.09 1.05 -0.28 -1.59 1.01 -0.21 -0.88 120.40 118.41 1xj0 s VAL 7 Ca 0.19 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1xj0 s VAL 7 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1xj0 s VAL 7 CO 0.10 0.35 0.18 -0.69 0.00 0.00 0.00 175.10 175.04 1xj0 s VAL 8 N 1.05 5.14 0.28 2.92 1.01 -0.19 -0.92 120.40 129.69 1xj0 s VAL 8 Ca -0.07 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1xj0 s VAL 8 Cb -0.15 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1xj0 s VAL 8 CO -0.01 0.24 -0.04 0.68 0.00 0.00 0.00 175.10 175.97 1xj0 s VAL 9 N 1.73 1.57 0.00 2.92 -7.23 -0.26 -2.85 120.40 116.29 1xj0 s VAL 9 Ca 0.07 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1xj0 s VAL 9 Cb -0.16 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1xj0 s VAL 9 CO 0.10 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1xj0 n GLY 10 N -0.59 2.99 3.72 2.32 0.00 -1.26 -0.77 105.19 111.59 1xj0 n GLY 10 Ca -0.05 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1xj0 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xj0 s ALA 11 N -2.00 2.00 0.42 4.61 0.00 -1.26 -4.93 121.76 120.61 1xj0 s ALA 11 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 1xj0 s ALA 11 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1xj0 s ALA 11 CO 0.00 -2.04 1.37 0.20 0.00 0.00 0.00 175.76 175.29 1xj0 s GLY 12 N -2.24 2.92 0.00 0.00 0.00 -1.26 -2.91 107.32 103.84 1xj0 s GLY 12 Ca 0.72 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1xj0 s GLY 12 CO 0.48 1.97 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1xj0 n GLY 13 N 0.61 0.87 0.20 0.20 0.00 -1.26 -4.92 105.19 100.89 1xj0 n GLY 13 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1xj0 n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xj0 h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.48 116.25 110.98 1xj0 h VAL 14 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1xj0 h VAL 14 Cb 0.00 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1xj0 h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1xj0 n GLY 15 N 0.95 1.73 0.14 5.19 0.00 -1.26 -4.57 105.19 107.37 1xj0 n GLY 15 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1xj0 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xj0 h LYS 16 N 0.00 0.39 -0.15 1.61 1.57 -1.91 -0.14 116.57 117.94 1xj0 h LYS 16 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xj0 h LYS 16 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1xj0 h LYS 16 CO 0.00 0.28 -0.04 0.77 -0.57 0.00 0.00 179.45 179.89 1xj0 h SER 17 N 0.38 0.30 -0.86 0.86 0.02 -1.96 -2.47 113.55 109.83 1xj0 h SER 17 Ca 0.11 -0.37 0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1xj0 h SER 17 Cb -0.02 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 1xj0 h SER 17 CO -0.02 0.60 0.56 0.00 -1.14 0.00 0.00 176.83 176.83 1xj0 h ALA 18 N 0.71 1.53 -0.34 3.77 0.00 -1.85 0.41 119.26 123.50 1xj0 h ALA 18 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xj0 h ALA 18 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xj0 h ALA 18 CO 0.02 0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 179.54 1xj0 h LEU 19 N 1.00 0.60 -0.13 0.00 3.38 -0.96 -0.54 115.31 118.66 1xj0 h LEU 19 Ca 0.36 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xj0 h LEU 19 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xj0 h LEU 19 CO -0.13 0.77 0.02 0.74 0.09 0.00 0.00 178.44 179.93 1xj0 h THR 20 N 0.41 1.23 -0.71 0.22 2.02 -0.94 -1.48 112.91 113.65 1xj0 h THR 20 Ca 0.09 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1xj0 h THR 20 Cb 0.47 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1xj0 h THR 20 CO 0.02 0.21 0.31 0.40 0.37 0.00 0.00 175.52 176.83 1xj0 h ILE 21 N -0.01 1.24 -0.57 3.11 2.04 -0.94 0.12 117.51 122.48 1xj0 h ILE 21 Ca 0.04 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1xj0 h ILE 21 Cb 0.31 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1xj0 h ILE 21 CO 0.00 0.29 0.36 -0.61 0.00 0.00 0.00 178.15 178.20 1xj0 h GLN 22 N 1.02 0.77 -0.57 2.37 5.75 -0.87 0.56 115.11 124.14 1xj0 h GLN 22 Ca 0.24 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 1xj0 h GLN 22 Cb 0.15 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1xj0 h GLN 22 CO -0.03 0.53 -0.07 1.25 -2.65 0.00 0.00 178.83 177.87 1xj0 h LEU 23 N 0.78 1.04 0.08 -2.39 5.85 -0.51 -0.93 115.31 119.22 1xj0 h LEU 23 Ca 0.21 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 1xj0 h LEU 23 Cb -0.06 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 40.71 1xj0 h LEU 23 CO -0.04 1.13 -0.58 0.40 -0.34 0.00 0.00 178.44 179.00 1xj0 h ILE 24 N 0.93 1.56 -0.03 4.05 1.08 -0.33 -3.40 117.51 121.37 1xj0 h ILE 24 Ca 0.15 -2.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.24 1xj0 h ILE 24 Cb 0.63 3.11 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1xj0 h ILE 24 CO 0.04 0.66 0.00 0.00 -0.69 0.00 0.00 178.15 178.17 1xj0 n GLN 25 N -4.26 0.22 -3.41 2.37 6.02 0.19 -5.02 117.38 113.49 1xj0 n GLN 25 Ca -0.12 -0.96 -0.23 0.00 -0.01 0.00 0.00 57.00 55.68 1xj0 n GLN 25 Cb 0.71 -1.10 0.07 0.00 1.02 0.00 0.00 30.24 30.93 1xj0 n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xj0 n ASN 26 N 0.24 -6.24 -3.81 1.08 3.02 -0.35 -5.00 115.26 104.21 1xj0 n ASN 26 Ca 0.03 -0.46 -0.12 0.00 -0.03 0.00 0.00 54.58 54.01 1xj0 n ASN 26 Cb 0.16 -4.92 -0.08 0.00 -0.61 0.00 0.00 39.78 34.33 1xj0 n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1xj0 s HIS 27 N -3.27 -0.04 -0.29 3.10 -3.43 -1.26 -5.03 115.29 105.06 1xj0 s HIS 27 Ca 0.50 -0.06 -0.14 0.00 -0.80 0.00 0.00 55.06 54.56 1xj0 s HIS 27 Cb -0.22 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 1xj0 s HIS 27 CO 0.62 -0.41 0.32 0.12 -2.00 0.00 0.00 174.74 173.38 1xj0 s PHE 28 N -2.07 3.23 -0.29 0.38 5.36 -1.26 -3.74 117.98 119.58 1xj0 s PHE 28 Ca -0.09 0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 55.94 1xj0 s PHE 28 Cb -0.03 -2.55 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1xj0 s PHE 28 CO -0.01 -0.26 0.43 0.08 -1.46 0.00 0.00 175.22 173.99 1xj0 s VAL 29 N 1.97 5.12 0.23 3.12 1.01 -1.26 -4.95 120.40 125.64 1xj0 s VAL 29 Ca 0.12 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1xj0 s VAL 29 Cb -0.16 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1xj0 s VAL 29 CO 0.11 0.04 1.53 0.44 0.00 0.00 0.00 175.10 177.21 1xj0 h ASP 30 N 8.24 0.26 -3.06 3.32 3.32 -2.01 -3.42 116.42 123.06 1xj0 h ASP 30 Ca -0.30 -0.16 -0.51 0.00 0.02 0.00 0.00 57.03 56.08 1xj0 h ASP 30 Cb 1.15 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.22 1xj0 h ASP 30 CO 0.69 0.83 -0.76 -1.61 -1.72 0.00 0.00 179.24 176.67 1xj0 s GLU 31 N -3.66 0.36 -0.14 3.56 2.02 -1.26 -5.10 118.70 114.48 1xj0 s GLU 31 Ca -0.04 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.53 1xj0 s GLU 31 Cb 0.12 -1.76 0.02 0.00 0.10 0.00 0.00 34.13 32.60 1xj0 s GLU 31 CO 0.80 -0.80 -0.15 -0.47 0.02 0.00 0.00 175.26 174.66 1xj0 s TYR 32 N 1.97 2.17 -0.29 1.61 5.04 -1.26 -5.05 117.35 121.54 1xj0 s TYR 32 Ca 0.04 -1.15 -0.26 0.00 -2.44 0.00 0.00 57.07 53.26 1xj0 s TYR 32 Cb -0.16 -1.57 -0.11 0.00 0.35 0.00 0.00 41.96 40.46 1xj0 s TYR 32 CO -0.18 -0.61 1.24 -3.47 -1.34 0.00 0.00 175.55 171.19 1xj0 n ASP 33 N 4.53 0.45 0.27 4.32 -0.08 -1.26 -4.74 116.55 120.03 1xj0 n ASP 33 Ca -0.18 0.41 0.18 0.00 -1.51 0.00 0.00 54.79 53.69 1xj0 n ASP 33 Cb 0.51 -0.53 0.96 0.00 2.34 0.00 0.00 41.12 44.40 1xj0 n ASP 33 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xj0 h PRO 34 N 5.19 0.00 0.00 -0.67 0.11 -2.02 -2.50 132.00 132.12 1xj0 h PRO 34 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1xj0 h PRO 34 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xj0 h PRO 34 CO 0.63 0.00 -0.97 0.25 -0.21 0.00 0.00 178.00 177.71 1xj0 n THR 35 N -2.74 0.06 -2.39 -1.15 -2.24 -1.26 -4.65 114.28 99.91 1xj0 n THR 35 Ca -0.02 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1xj0 n THR 35 Cb 0.06 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1xj0 n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xj0 s ILE 36 N -3.10 4.06 -0.23 2.28 1.01 -0.94 -4.57 121.20 119.71 1xj0 s ILE 36 Ca 0.06 1.17 -0.03 0.00 0.00 0.00 0.00 60.65 61.86 1xj0 s ILE 36 Cb 0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1xj0 s ILE 36 CO 0.81 -0.54 -0.05 -0.70 0.00 0.00 0.00 174.94 174.46 1xj0 s GLU 37 N 4.38 3.20 0.24 2.79 2.12 -1.26 -4.65 118.70 125.51 1xj0 s GLU 37 Ca 0.58 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 1xj0 s GLU 37 Cb -0.16 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.25 1xj0 s GLU 37 CO 0.26 -0.26 0.52 0.34 -0.54 0.00 0.00 175.26 175.58 1xj0 s ASP 38 N 1.43 -0.15 -0.03 -1.70 2.15 -1.09 -4.99 116.67 112.29 1xj0 s ASP 38 Ca 0.04 -0.77 -0.00 0.00 0.43 0.00 0.00 52.55 52.25 1xj0 s ASP 38 Cb -0.15 0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 1xj0 s ASP 38 CO -0.04 -1.14 0.04 -0.94 -0.17 0.00 0.00 175.17 172.92 1xj0 s SER 39 N -2.97 5.45 0.08 -0.34 1.04 -1.26 -1.15 113.70 114.56 1xj0 s SER 39 Ca 0.17 0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1xj0 s SER 39 Cb -0.01 -1.53 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 1xj0 s SER 39 CO 0.05 0.31 -0.18 -0.31 0.98 0.00 0.00 173.24 174.09 1xj0 s TYR 40 N -1.09 1.51 0.13 5.02 2.02 0.57 -4.95 117.35 120.56 1xj0 s TYR 40 Ca 0.19 -0.43 0.10 0.00 -0.37 0.00 0.00 57.07 56.56 1xj0 s TYR 40 Cb -0.12 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.57 1xj0 s TYR 40 CO 0.10 0.13 -0.22 1.03 -1.57 0.00 0.00 175.55 175.02 1xj0 s ARG 41 N -1.79 1.63 -0.24 -0.62 0.52 -1.26 -0.66 118.95 116.53 1xj0 s ARG 41 Ca 0.02 -1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 53.82 1xj0 s ARG 41 Cb -0.10 -2.01 0.08 0.00 0.52 0.00 0.00 34.95 33.44 1xj0 s ARG 41 CO 0.03 0.46 0.58 0.21 0.02 0.00 0.00 175.30 176.60 1xj0 s LYS 42 N -2.20 0.57 -0.13 3.54 2.20 -0.75 -4.97 119.74 118.01 1xj0 s LYS 42 Ca 0.17 1.08 -0.15 0.00 -0.36 0.00 0.00 55.97 56.71 1xj0 s LYS 42 Cb -0.10 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1xj0 s LYS 42 CO 0.09 -0.16 0.36 -1.14 -0.36 0.00 0.00 175.35 174.14 1xj0 s GLN 43 N 1.69 4.24 0.20 4.03 0.74 -1.26 -0.44 119.66 128.86 1xj0 s GLN 43 Ca -0.09 0.24 -0.10 0.00 0.05 0.00 0.00 55.36 55.46 1xj0 s GLN 43 Cb -0.07 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1xj0 s GLN 43 CO -0.17 0.26 0.35 0.54 -0.55 0.00 0.00 175.29 175.72 1xj0 s VAL 44 N 0.35 0.03 -0.21 1.34 0.11 -0.17 -5.00 120.40 116.86 1xj0 s VAL 44 Ca 0.20 -1.45 -0.03 0.00 -2.93 0.00 0.00 61.98 57.78 1xj0 s VAL 44 Cb -0.14 -2.05 -0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1xj0 s VAL 44 CO 0.07 -0.14 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.93 1xj0 s VAL 45 N -4.01 3.15 -0.16 2.04 1.01 -1.26 -0.42 120.40 120.75 1xj0 s VAL 45 Ca 0.22 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1xj0 s VAL 45 Cb 0.02 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1xj0 s VAL 45 CO 0.05 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 1xj0 s ILE 46 N 1.36 1.67 -1.39 2.22 1.01 0.26 -4.76 121.20 121.58 1xj0 s ILE 46 Ca 0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1xj0 s ILE 46 Cb -0.14 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1xj0 s ILE 46 CO -0.04 0.43 0.52 0.47 0.00 0.00 0.00 174.94 176.31 1xj0 n ASP 47 N 4.73 -0.73 0.00 3.58 8.00 -1.26 -1.40 116.55 129.47 1xj0 n ASP 47 Ca -0.17 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1xj0 n ASP 47 Cb 0.49 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 1xj0 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xj0 n GLY 48 N -1.85 1.64 3.56 0.44 0.00 -1.26 -5.00 105.19 102.72 1xj0 n GLY 48 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1xj0 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xj0 s GLU 49 N -0.06 3.81 -0.17 1.61 2.12 -0.49 -5.07 118.70 120.44 1xj0 s GLU 49 Ca 0.00 -0.44 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 1xj0 s GLU 49 Cb 0.00 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1xj0 s GLU 49 CO 0.00 0.22 0.81 0.99 -0.54 0.00 0.00 175.26 176.74 1xj0 s THR 50 N 0.46 4.90 0.15 -1.70 2.01 -1.26 -0.57 115.64 119.62 1xj0 s THR 50 Ca -0.00 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 1xj0 s THR 50 Cb -0.13 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1xj0 s THR 50 CO 0.02 0.04 0.12 0.00 -0.69 0.00 0.00 174.62 174.11 1xj0 s LEU 52 N -3.04 3.07 -0.17 0.00 2.96 -0.38 -1.00 118.68 120.12 1xj0 s LEU 52 Ca 0.24 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1xj0 s LEU 52 Cb 0.06 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1xj0 s LEU 52 CO 0.02 0.31 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.57 1xj0 s LEU 53 N -0.47 3.22 -0.41 -0.68 1.43 0.42 -0.80 118.68 121.39 1xj0 s LEU 53 Ca 0.07 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1xj0 s LEU 53 Cb -0.12 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.42 1xj0 s LEU 53 CO 0.02 0.13 0.21 -0.62 0.23 0.00 0.00 176.35 176.32 1xj0 s ASP 54 N 0.58 5.26 -0.24 2.29 2.15 -0.49 -1.80 116.67 124.42 1xj0 s ASP 54 Ca -0.02 -2.04 -0.08 0.00 0.43 0.00 0.00 52.55 50.84 1xj0 s ASP 54 Cb -0.14 -1.83 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 1xj0 s ASP 54 CO 0.02 -0.55 0.09 -0.63 -0.17 0.00 0.00 175.17 173.94 1xj0 s ILE 55 N 1.13 4.58 -0.29 4.11 1.01 0.17 -0.92 121.20 130.99 1xj0 s ILE 55 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1xj0 s ILE 55 Cb -0.23 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1xj0 s ILE 55 CO -0.04 0.35 0.30 -0.22 0.00 0.00 0.00 174.94 175.33 1xj0 s LEU 56 N 1.35 4.13 -0.55 2.97 2.96 -0.06 -0.32 118.68 129.17 1xj0 s LEU 56 Ca 0.05 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.84 1xj0 s LEU 56 Cb -0.15 -2.29 0.11 0.00 0.50 0.00 0.00 46.19 44.36 1xj0 s LEU 56 CO 0.04 -0.17 0.58 -0.62 -1.32 0.00 0.00 176.35 174.87 1xj0 s ASP 57 N 1.70 6.19 0.58 3.68 2.15 -0.30 -1.02 116.67 129.65 1xj0 s ASP 57 Ca 0.11 -1.54 -0.16 0.00 0.43 0.00 0.00 52.55 51.39 1xj0 s ASP 57 Cb -0.16 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 1xj0 s ASP 57 CO 0.11 -0.95 1.06 0.42 -0.17 0.00 0.00 175.17 175.64 1xj0 s THR 58 N 2.13 3.77 0.00 1.71 -4.23 -1.13 -2.69 115.64 115.20 1xj0 s THR 58 Ca 0.07 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 1xj0 s THR 58 Cb -0.26 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1xj0 s THR 58 CO 0.05 -0.45 0.00 0.00 -0.54 0.00 0.00 174.62 173.68 1xj0 n ALA 59 N -1.87 2.26 -1.68 3.99 0.00 -1.26 -4.89 120.51 117.06 1xj0 n ALA 59 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1xj0 n ALA 59 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1xj0 n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xj0 n ALA 60 N -1.40 1.02 -2.64 0.00 0.00 -1.26 -4.87 120.51 111.36 1xj0 n ALA 60 Ca 0.00 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1xj0 n ALA 60 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 19.45 17.14 1xj0 n ALA 60 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xj0 s GLN 61 N -2.05 2.52 0.00 0.00 -0.21 -1.26 -4.40 119.66 114.26 1xj0 s GLN 61 Ca 0.60 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1xj0 s GLN 61 Cb -0.54 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 30.96 1xj0 s GLN 61 CO 0.59 0.57 0.00 0.39 -2.12 0.00 0.00 175.29 174.72 1xj0 n GLU 62 N 1.07 -0.67 -4.14 2.91 1.02 -1.26 -4.98 120.64 114.59 1xj0 n GLU 62 Ca -0.13 0.17 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 1xj0 n GLU 62 Cb 0.52 -3.85 -0.05 0.00 -0.02 0.00 0.00 31.44 28.05 1xj0 n GLU 62 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xj0 s GLU 63 N -0.85 2.83 -0.33 3.49 2.02 -1.26 -5.10 118.70 119.50 1xj0 s GLU 63 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 1xj0 s GLU 63 Cb 0.00 -2.51 0.13 0.00 0.10 0.00 0.00 34.13 31.85 1xj0 s GLU 63 CO 0.00 0.40 0.21 0.71 0.02 0.00 0.00 175.26 176.61 1xj0 s TYR 64 N -2.13 0.36 0.54 1.61 1.51 -1.26 -5.04 117.35 112.94 1xj0 s TYR 64 Ca 0.32 -1.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.17 1xj0 s TYR 64 Cb -0.08 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1xj0 s TYR 64 CO 0.24 -0.86 0.83 -1.54 -1.11 0.00 0.00 175.55 173.11 1xj0 s SER 65 N 1.54 5.70 0.17 2.29 1.04 -1.26 -4.94 113.70 118.24 1xj0 s SER 65 Ca 0.14 0.60 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1xj0 s SER 65 Cb -0.19 -1.68 0.07 0.00 0.10 0.00 0.00 66.02 64.31 1xj0 s SER 65 CO -0.14 -0.93 1.80 0.00 0.98 0.00 0.00 173.24 174.95 1xj0 h ALA 66 N 0.01 0.71 -0.43 5.32 0.00 -2.00 -1.90 119.26 120.96 1xj0 h ALA 66 Ca -0.46 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1xj0 h ALA 66 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xj0 h ALA 66 CO 0.60 0.20 -0.06 1.98 0.00 0.00 0.00 179.25 181.97 1xj0 h MET 67 N 0.74 0.74 -0.13 0.00 1.85 -2.00 -2.95 114.93 113.18 1xj0 h MET 67 Ca 0.20 -0.22 -0.20 0.00 -0.61 0.00 0.00 59.70 58.87 1xj0 h MET 67 Cb 0.01 -0.08 0.01 0.00 0.43 0.00 0.00 31.60 31.97 1xj0 h MET 67 CO -0.03 0.79 -0.70 -0.09 -0.40 0.00 0.00 176.91 176.48 1xj0 h ARG 68 N 0.68 0.71 -0.28 0.39 2.43 -1.91 -2.09 114.38 114.31 1xj0 h ARG 68 Ca 0.13 -0.58 0.05 0.00 -0.81 0.00 0.00 59.98 58.76 1xj0 h ARG 68 Cb 0.51 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1xj0 h ARG 68 CO 0.03 1.20 -0.01 -0.44 -1.51 0.00 0.00 179.97 179.23 1xj0 h ASP 69 N 0.40 -0.14 0.64 -3.80 3.32 -1.33 0.89 116.42 116.40 1xj0 h ASP 69 Ca -0.05 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1xj0 h ASP 69 Cb 1.33 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1xj0 h ASP 69 CO 0.14 -0.04 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.54 1xj0 h GLN 70 N 0.07 -1.03 -0.05 3.56 5.75 -1.53 -0.55 115.11 121.33 1xj0 h GLN 70 Ca 0.13 0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1xj0 h GLN 70 Cb 0.18 0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1xj0 h GLN 70 CO -0.24 -0.69 0.05 1.88 -2.65 0.00 0.00 178.83 177.18 1xj0 h TYR 71 N -1.07 0.00 -0.02 3.99 -1.99 -1.09 1.54 116.97 118.34 1xj0 h TYR 71 Ca -0.08 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.43 1xj0 h TYR 71 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1xj0 h TYR 71 CO -0.16 0.00 -0.91 1.98 -0.00 0.00 0.00 178.16 179.07 1xj0 h MET 72 N 0.00 0.43 0.00 4.88 4.05 0.14 1.23 114.93 125.65 1xj0 h MET 72 Ca 0.02 -0.44 -0.25 0.00 -0.28 0.00 0.00 59.70 58.75 1xj0 h MET 72 Cb 0.12 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1xj0 h MET 72 CO -0.00 1.10 -1.77 2.89 0.23 0.00 0.00 176.91 179.36 1xj0 n ARG 73 N -3.76 0.64 0.00 0.39 1.85 -0.27 -4.03 116.66 111.48 1xj0 n ARG 73 Ca -0.06 0.18 0.11 0.00 -1.00 0.00 0.00 57.85 57.08 1xj0 n ARG 73 Cb 0.82 -1.73 0.04 0.00 -1.05 0.00 0.00 32.46 30.53 1xj0 n ARG 73 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1xj0 n THR 74 N -2.89 0.00 -1.73 8.89 -2.24 0.52 -4.92 114.28 111.91 1xj0 n THR 74 Ca -0.17 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1xj0 n THR 74 Cb 0.98 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 1xj0 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xj0 n GLY 75 N 1.50 1.21 0.08 3.38 0.00 0.42 -4.88 105.19 106.89 1xj0 n GLY 75 Ca 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 1xj0 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xj0 n GLU 76 N 1.91 0.66 -3.82 1.61 1.02 -0.08 -4.95 120.64 117.00 1xj0 n GLU 76 Ca 0.08 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1xj0 n GLU 76 Cb 0.36 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1xj0 n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xj0 s GLY 77 N -5.15 -0.05 -0.05 0.62 0.00 -0.97 -4.27 107.32 97.47 1xj0 s GLY 77 Ca -0.08 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.73 1xj0 s GLY 77 CO 0.84 -0.13 -0.14 -1.36 0.00 0.00 0.00 173.10 172.31 1xj0 s PHE 78 N -1.56 1.48 -0.34 1.90 0.40 -0.51 -1.05 117.98 118.31 1xj0 s PHE 78 Ca -0.13 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 1xj0 s PHE 78 Cb -0.05 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1xj0 s PHE 78 CO 0.02 -0.20 0.31 -1.17 0.70 0.00 0.00 175.22 174.88 1xj0 s LEU 79 N 0.30 4.46 -0.43 -0.37 2.96 -0.10 -1.61 118.68 123.89 1xj0 s LEU 79 Ca -0.08 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.39 1xj0 s LEU 79 Cb -0.13 -2.25 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1xj0 s LEU 79 CO 0.03 -0.29 0.32 0.00 -1.32 0.00 0.00 176.35 175.09 1xj0 s VAL 81 N 1.63 4.66 0.25 0.00 1.01 0.05 -0.36 120.40 127.63 1xj0 s VAL 81 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1xj0 s VAL 81 Cb -0.21 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1xj0 s VAL 81 CO 0.08 0.56 0.07 0.72 0.00 0.00 0.00 175.10 176.53 1xj0 s PHE 82 N -0.48 1.53 -0.08 5.22 -0.71 -0.41 -4.06 117.98 119.00 1xj0 s PHE 82 Ca 0.09 -1.12 -0.00 0.00 -1.04 0.00 0.00 56.93 54.86 1xj0 s PHE 82 Cb -0.12 -0.90 -0.03 0.00 -1.21 0.00 0.00 43.02 40.76 1xj0 s PHE 82 CO 0.02 -0.27 -0.04 0.00 -1.34 0.00 0.00 175.22 173.59 1xj0 s ALA 83 N -3.68 3.10 0.10 1.99 0.00 -1.26 -0.77 121.76 121.24 1xj0 s ALA 83 Ca 0.35 -0.86 0.30 0.00 0.00 0.00 0.00 51.96 51.76 1xj0 s ALA 83 Cb 0.07 -1.33 1.61 0.00 0.00 0.00 0.00 23.12 23.48 1xj0 s ALA 83 CO 0.12 0.57 1.92 0.82 0.00 0.00 0.00 175.76 179.20 1xj0 h ILE 84 N 4.23 0.00 -0.09 0.00 5.03 -1.21 -1.68 117.51 123.79 1xj0 h ILE 84 Ca -0.49 -0.03 -0.04 0.00 -0.12 0.00 0.00 64.86 64.18 1xj0 h ILE 84 Cb 1.18 0.72 -0.02 0.00 -3.03 0.00 0.00 36.82 35.67 1xj0 h ILE 84 CO 0.53 0.00 -0.25 -0.46 -0.68 0.00 0.00 178.15 177.29 1xj0 n ASN 85 N -2.57 2.19 -3.45 1.72 6.94 -1.26 -1.08 115.26 117.75 1xj0 n ASN 85 Ca -0.02 -3.61 -0.28 0.00 -0.02 0.00 0.00 54.58 50.66 1xj0 n ASN 85 Cb 0.06 -0.53 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 1xj0 n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xj0 s ASN 86 N -2.91 2.69 0.23 0.53 3.84 -0.63 -4.83 114.94 113.86 1xj0 s ASN 86 Ca 0.38 -2.15 -0.07 0.00 0.21 0.00 0.00 52.86 51.23 1xj0 s ASN 86 Cb 0.35 -0.28 0.31 0.00 -0.55 0.00 0.00 41.25 41.07 1xj0 s ASN 86 CO -0.02 -0.30 1.83 0.74 -2.79 0.00 0.00 177.10 176.57 1xj0 h THR 87 N 5.00 1.01 -0.91 -5.21 2.02 -1.88 -1.79 112.91 111.15 1xj0 h THR 87 Ca 0.07 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1xj0 h THR 87 Cb 0.98 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1xj0 h THR 87 CO 0.26 0.16 0.60 0.50 0.37 0.00 0.00 175.52 177.40 1xj0 h LYS 88 N 0.86 1.18 -0.24 6.66 3.64 -1.94 -1.07 116.57 125.66 1xj0 h LYS 88 Ca 0.35 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1xj0 h LYS 88 Cb 0.19 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1xj0 h LYS 88 CO -0.18 0.78 0.09 0.66 -2.27 0.00 0.00 179.45 178.53 1xj0 h SER 89 N 1.22 0.30 -0.05 4.20 4.64 -1.67 0.43 113.55 122.62 1xj0 h SER 89 Ca 0.34 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1xj0 h SER 89 Cb -0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1xj0 h SER 89 CO -0.08 0.29 -0.08 0.15 -0.87 0.00 0.00 176.83 176.24 1xj0 h PHE 90 N 0.34 0.18 -0.08 4.77 3.57 -1.05 -3.03 116.94 121.64 1xj0 h PHE 90 Ca 0.09 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xj0 h PHE 90 Cb 0.09 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1xj0 h PHE 90 CO 0.00 0.65 0.05 0.93 -2.23 0.00 0.00 178.31 177.71 1xj0 h GLU 91 N -0.33 0.10 0.00 1.11 5.08 -0.75 -1.95 114.58 117.83 1xj0 h GLU 91 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xj0 h GLU 91 Cb 0.63 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xj0 h GLU 91 CO 0.02 0.07 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.56 1xj0 h ASP 92 N 0.10 0.00 -0.77 1.42 3.32 -0.81 -3.29 116.42 116.40 1xj0 h ASP 92 Ca 0.03 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.22 1xj0 h ASP 92 Cb -0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1xj0 h ASP 92 CO -0.01 0.09 0.35 0.40 -1.72 0.00 0.00 179.24 178.35 1xj0 h ILE 93 N 0.00 0.70 -0.81 0.35 1.08 -1.29 -1.35 117.51 116.19 1xj0 h ILE 93 Ca -0.00 -0.18 0.18 0.00 -0.39 0.00 0.00 64.86 64.47 1xj0 h ILE 93 Cb 0.46 0.14 -0.11 0.00 -3.07 0.00 0.00 36.82 34.24 1xj0 h ILE 93 CO 0.01 0.09 0.30 -0.74 -0.69 0.00 0.00 178.15 177.12 1xj0 h HIS 94 N 0.51 0.49 -0.53 1.37 2.76 -1.77 -0.28 115.15 117.69 1xj0 h HIS 94 Ca 0.42 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.60 1xj0 h HIS 94 Cb 0.60 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1xj0 h HIS 94 CO -0.14 -0.03 0.22 1.96 -1.30 0.00 0.00 177.93 178.64 1xj0 h GLN 95 N 0.37 0.79 -0.72 5.26 7.50 -1.49 -1.57 115.11 125.25 1xj0 h GLN 95 Ca 0.48 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 59.44 1xj0 h GLN 95 Cb 0.83 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.20 1xj0 h GLN 95 CO -0.50 0.68 0.23 1.88 -1.50 0.00 0.00 178.83 179.63 1xj0 h TYR 96 N 0.72 1.13 -0.25 2.96 0.05 -1.00 -1.55 116.97 119.03 1xj0 h TYR 96 Ca 0.18 -0.11 -0.19 0.00 0.05 0.00 0.00 58.73 58.66 1xj0 h TYR 96 Cb 0.18 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1xj0 h TYR 96 CO 0.00 0.89 -0.60 -0.09 -1.05 0.00 0.00 178.16 177.31 1xj0 h ARG 97 N 1.06 0.83 -0.83 4.88 2.43 -1.11 -1.53 114.38 120.10 1xj0 h ARG 97 Ca 0.23 -0.56 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1xj0 h ARG 97 Cb 0.28 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1xj0 h ARG 97 CO -0.01 1.19 0.51 0.93 -1.51 0.00 0.00 179.97 181.08 1xj0 h GLU 98 N 0.62 1.12 0.12 0.20 4.39 -1.17 0.27 114.58 120.13 1xj0 h GLU 98 Ca -0.00 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xj0 h GLU 98 Cb 1.21 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1xj0 h GLU 98 CO 0.13 0.77 -0.07 0.37 -1.16 0.00 0.00 179.01 179.05 1xj0 h GLN 99 N 1.14 -0.18 -0.68 2.33 4.15 -1.05 -2.26 115.11 118.56 1xj0 h GLN 99 Ca 0.30 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 1xj0 h GLN 99 Cb -0.07 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1xj0 h GLN 99 CO -0.06 -0.12 0.15 0.82 -1.93 0.00 0.00 178.83 177.69 1xj0 h ILE 100 N -0.19 1.26 0.00 2.39 2.04 -0.79 -2.56 117.51 119.66 1xj0 h ILE 100 Ca -0.01 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1xj0 h ILE 100 Cb 0.16 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1xj0 h ILE 100 CO 0.01 0.37 -0.03 0.11 0.00 0.00 0.00 178.15 178.61 1xj0 h LYS 101 N 1.02 0.00 0.21 2.37 1.57 -0.77 -1.06 116.57 119.90 1xj0 h LYS 101 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1xj0 h LYS 101 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xj0 h LYS 101 CO 0.00 0.03 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.72 1xj0 h ARG 102 N 0.00 -0.27 -0.89 3.15 2.43 -1.01 0.24 114.38 118.02 1xj0 h ARG 102 Ca -0.00 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 1xj0 h ARG 102 Cb 0.05 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1xj0 h ARG 102 CO 0.00 -0.01 0.57 0.28 -1.51 0.00 0.00 179.97 179.31 1xj0 h VAL 103 N -1.02 0.85 0.00 0.20 2.07 -1.35 -0.02 116.25 116.98 1xj0 h VAL 103 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xj0 h VAL 103 Cb 0.38 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1xj0 h VAL 103 CO 0.05 0.13 -0.50 0.29 0.02 0.00 0.00 177.57 177.56 1xj0 n LYS 104 N -4.56 0.22 -3.86 1.57 4.76 -0.42 -4.93 118.16 110.95 1xj0 n LYS 104 Ca 0.17 0.08 -0.27 0.00 -2.87 0.00 0.00 58.31 55.43 1xj0 n LYS 104 Cb 0.45 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1xj0 n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xj0 n ASP 105 N -1.99 -2.76 -3.55 4.39 2.03 -0.01 -4.95 116.55 109.72 1xj0 n ASP 105 Ca 0.04 -0.84 -0.13 0.00 0.52 0.00 0.00 54.79 54.38 1xj0 n ASP 105 Cb 0.41 -3.78 -0.05 0.00 -0.72 0.00 0.00 41.12 36.98 1xj0 n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1xj0 s SER 106 N -3.85 -0.49 -0.13 1.67 0.15 -0.71 -5.02 113.70 105.33 1xj0 s SER 106 Ca 0.33 0.49 0.16 0.00 0.70 0.00 0.00 55.95 57.63 1xj0 s SER 106 Cb -0.17 0.41 0.58 0.00 -1.71 0.00 0.00 66.02 65.13 1xj0 s SER 106 CO 0.84 -0.48 1.50 -0.90 1.20 0.00 0.00 173.24 175.40 1xj0 n ASP 107 N 0.72 4.21 -3.69 5.45 5.75 -1.26 -4.36 116.55 123.37 1xj0 n ASP 107 Ca -0.14 -2.63 -0.27 0.00 -0.01 0.00 0.00 54.79 51.74 1xj0 n ASP 107 Cb 0.58 -0.51 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 1xj0 n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1xj0 n ASP 108 N 0.34 2.02 -4.20 -1.12 2.03 -1.26 -5.05 116.55 109.31 1xj0 n ASP 108 Ca 0.22 -2.98 -0.29 0.00 0.52 0.00 0.00 54.79 52.25 1xj0 n ASP 108 Cb 0.84 -0.69 -0.16 0.00 -0.72 0.00 0.00 41.12 40.39 1xj0 n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xj0 s VAL 109 N -1.14 1.77 -0.01 5.18 1.01 -1.26 -5.08 120.40 120.87 1xj0 s VAL 109 Ca 0.29 -0.91 -0.33 0.00 0.00 0.00 0.00 61.98 61.03 1xj0 s VAL 109 Cb 0.01 -1.51 -0.12 0.00 0.00 0.00 0.00 36.38 34.76 1xj0 s VAL 109 CO -0.16 0.50 1.84 -2.65 0.00 0.00 0.00 175.10 174.63 1xj0 n PRO 110 N 3.08 2.34 -3.61 2.72 -0.02 -1.26 -4.93 135.00 133.32 1xj0 n PRO 110 Ca -0.18 0.86 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1xj0 n PRO 110 Cb 0.52 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 1xj0 n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xj0 s MET 111 N 3.50 0.91 -0.04 -0.52 1.75 -1.26 -1.42 119.30 122.21 1xj0 s MET 111 Ca 0.89 0.14 0.01 0.00 -1.25 0.00 0.00 55.69 55.48 1xj0 s MET 111 Cb -0.63 0.42 0.02 0.00 2.84 0.00 0.00 34.83 37.48 1xj0 s MET 111 CO 0.47 -0.27 -0.05 0.08 -0.65 0.00 0.00 175.02 174.60 1xj0 s VAL 112 N -1.15 0.56 -0.10 10.11 1.01 -0.63 -4.21 120.40 125.99 1xj0 s VAL 112 Ca -0.11 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1xj0 s VAL 112 Cb -0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1xj0 s VAL 112 CO 0.08 0.22 0.68 -0.22 0.00 0.00 0.00 175.10 175.86 1xj0 s LEU 113 N 0.70 4.27 -0.15 3.92 2.96 -0.36 -0.92 118.68 129.10 1xj0 s LEU 113 Ca -0.10 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1xj0 s LEU 113 Cb -0.13 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.54 1xj0 s LEU 113 CO 0.00 -0.16 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.00 1xj0 s VAL 114 N 1.09 2.33 -0.53 1.68 1.01 0.52 -1.43 120.40 125.07 1xj0 s VAL 114 Ca 0.35 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1xj0 s VAL 114 Cb -0.17 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.38 1xj0 s VAL 114 CO 0.16 0.53 0.45 -0.83 0.00 0.00 0.00 175.10 175.41 1xj0 s GLY 115 N 0.88 2.10 0.57 4.51 0.00 -0.50 -1.28 107.32 113.59 1xj0 s GLY 115 Ca -0.05 -2.58 -0.00 0.00 0.00 0.00 0.00 44.72 42.08 1xj0 s GLY 115 CO -0.02 1.17 0.81 0.21 0.00 0.00 0.00 173.10 175.26 1xj0 s ASN 116 N 3.15 5.28 0.14 1.64 2.47 0.05 -0.94 114.94 126.74 1xj0 s ASN 116 Ca 0.05 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.46 1xj0 s ASN 116 Cb -0.28 -1.03 0.00 0.00 -1.45 0.00 0.00 41.25 38.49 1xj0 s ASN 116 CO 0.01 -1.16 0.00 0.29 -3.72 0.00 0.00 177.10 172.52 1xj0 n LYS 117 N -2.42 -3.61 0.00 0.43 5.02 -0.71 -0.73 118.16 116.15 1xj0 n LYS 117 Ca 0.07 2.72 0.00 0.00 -2.02 0.00 0.00 58.31 59.08 1xj0 n LYS 117 Cb 0.59 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1xj0 n LYS 117 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xj0 n ASP 119 N 1.16 0.00 -4.77 4.39 5.75 -1.26 -4.72 116.55 117.10 1xj0 n ASP 119 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1xj0 n ASP 119 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1xj0 n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xj0 s LEU 120 N 0.00 4.56 0.77 -2.12 1.43 -1.26 -5.06 118.68 117.01 1xj0 s LEU 120 Ca 0.00 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1xj0 s LEU 120 Cb 0.00 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1xj0 s LEU 120 CO 0.00 0.13 1.09 0.00 0.23 0.00 0.00 176.35 177.80 1xj0 s ALA 121 N -1.26 2.37 -1.17 4.21 0.00 -1.26 -4.42 121.76 120.23 1xj0 s ALA 121 Ca 0.41 -0.16 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1xj0 s ALA 121 Cb -0.23 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1xj0 s ALA 121 CO 0.28 -1.59 0.75 0.00 0.00 0.00 0.00 175.76 175.20 1xj0 n ALA 122 N -3.35 -2.50 -1.63 0.00 0.00 -1.26 -4.92 120.51 106.85 1xj0 n ALA 122 Ca 0.07 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1xj0 n ALA 122 Cb 0.56 -3.78 0.06 0.00 0.00 0.00 0.00 19.45 16.29 1xj0 n ALA 122 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1xj0 n ARG 123 N -4.27 0.91 -0.00 0.00 1.85 -1.26 -4.92 116.66 108.97 1xj0 n ARG 123 Ca -0.12 0.36 0.05 0.00 -1.00 0.00 0.00 57.85 57.15 1xj0 n ARG 123 Cb 0.60 -2.31 -0.07 0.00 -1.05 0.00 0.00 32.46 29.63 1xj0 n ARG 123 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1xj0 n THR 124 N -1.94 0.00 -4.01 8.89 -2.24 -0.24 -4.88 114.28 109.87 1xj0 n THR 124 Ca 0.15 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1xj0 n THR 124 Cb 0.48 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1xj0 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xj0 s VAL 125 N -2.23 2.67 0.37 2.28 1.01 -0.84 -4.88 120.40 118.79 1xj0 s VAL 125 Ca 0.02 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1xj0 s VAL 125 Cb 0.08 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 1xj0 s VAL 125 CO 0.46 0.38 0.97 -1.61 0.00 0.00 0.00 175.10 175.30 1xj0 s GLU 126 N 1.35 4.41 0.30 2.72 0.41 -1.26 -4.91 118.70 121.72 1xj0 s GLU 126 Ca 0.03 1.31 0.05 0.00 -0.41 0.00 0.00 54.97 55.96 1xj0 s GLU 126 Cb -0.15 -2.59 0.70 0.00 -1.78 0.00 0.00 34.13 30.32 1xj0 s GLU 126 CO -0.07 0.11 1.80 1.03 -0.49 0.00 0.00 175.26 177.64 1xj0 h SER 127 N 2.71 0.81 -0.46 -0.19 0.87 -1.99 -1.05 113.55 114.26 1xj0 h SER 127 Ca -0.48 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.23 1xj0 h SER 127 Cb 1.19 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 1xj0 h SER 127 CO 0.63 0.34 0.14 0.08 -0.53 0.00 0.00 176.83 177.49 1xj0 h ARG 128 N 0.82 0.28 -0.40 2.24 0.11 -1.99 0.11 114.38 115.56 1xj0 h ARG 128 Ca 0.55 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1xj0 h ARG 128 Cb 0.78 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.78 1xj0 h ARG 128 CO -0.33 0.19 0.25 1.96 0.10 0.00 0.00 179.97 182.14 1xj0 h GLN 129 N 0.29 0.53 -0.71 0.08 4.20 -1.58 -0.18 115.11 117.74 1xj0 h GLN 129 Ca 0.22 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1xj0 h GLN 129 Cb 0.26 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1xj0 h GLN 129 CO -0.26 0.37 0.16 0.00 -0.67 0.00 0.00 178.83 178.44 1xj0 h ALA 130 N 1.13 0.94 -0.76 3.87 0.00 -1.09 -0.89 119.26 122.46 1xj0 h ALA 130 Ca 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xj0 h ALA 130 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1xj0 h ALA 130 CO -0.03 0.67 0.47 1.96 0.00 0.00 0.00 179.25 182.32 1xj0 h GLN 131 N 1.08 1.03 -0.55 0.00 4.20 -0.44 0.34 115.11 120.77 1xj0 h GLN 131 Ca 0.22 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1xj0 h GLN 131 Cb 0.39 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1xj0 h GLN 131 CO 0.00 0.72 0.33 -0.44 -0.67 0.00 0.00 178.83 178.78 1xj0 h ASP 132 N 1.04 0.66 -0.26 1.46 5.19 -0.55 0.42 116.42 124.38 1xj0 h ASP 132 Ca 0.27 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1xj0 h ASP 132 Cb -0.05 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1xj0 h ASP 132 CO -0.05 0.53 0.02 0.25 -3.12 0.00 0.00 179.24 176.86 1xj0 h LEU 133 N 0.74 0.44 -0.79 1.55 5.85 -0.69 -2.24 115.31 120.17 1xj0 h LEU 133 Ca 0.20 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1xj0 h LEU 133 Cb -0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1xj0 h LEU 133 CO -0.04 0.63 0.40 0.00 -0.34 0.00 0.00 178.44 179.09 1xj0 h ALA 134 N 0.83 1.01 -0.98 1.25 0.00 -0.75 -2.26 119.26 118.37 1xj0 h ALA 134 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xj0 h ALA 134 Cb 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1xj0 h ALA 134 CO 0.01 0.55 0.63 -0.09 0.00 0.00 0.00 179.25 180.35 1xj0 h ARG 135 N 1.10 1.30 0.00 0.00 2.43 -0.80 0.68 114.38 119.10 1xj0 h ARG 135 Ca 0.27 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1xj0 h ARG 135 Cb 0.08 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1xj0 h ARG 135 CO -0.04 0.88 -0.12 0.66 -1.51 0.00 0.00 179.97 179.85 1xj0 h SER 136 N 1.33 0.00 0.35 -3.80 4.64 -0.83 -1.78 113.55 113.47 1xj0 h SER 136 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xj0 h SER 136 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1xj0 h SER 136 CO -0.07 0.12 -0.96 -1.22 -0.87 0.00 0.00 176.83 173.82 1xj0 n TYR 137 N -3.44 0.17 -2.42 4.77 4.01 -0.59 -4.97 117.16 114.68 1xj0 n TYR 137 Ca -0.01 0.05 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 1xj0 n TYR 137 Cb 0.28 -0.33 0.01 0.00 -0.31 0.00 0.00 39.34 38.99 1xj0 n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xj0 n GLY 138 N 1.41 0.37 3.29 2.72 0.00 0.13 -5.03 105.19 108.08 1xj0 n GLY 138 Ca 0.03 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1xj0 n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xj0 s ILE 139 N -2.65 1.05 0.65 -0.61 -4.36 -0.58 -5.03 121.20 109.68 1xj0 s ILE 139 Ca 0.07 -2.04 -0.13 0.00 -0.26 0.00 0.00 60.65 58.29 1xj0 s ILE 139 Cb -0.03 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 1xj0 s ILE 139 CO 0.09 -0.49 1.06 -2.84 0.24 0.00 0.00 174.94 172.99 1xj0 s PRO 140 N -3.82 3.10 -0.09 0.37 0.02 -1.26 -4.23 135.00 129.08 1xj0 s PRO 140 Ca 0.24 1.06 0.03 0.00 0.02 0.00 0.00 61.00 62.34 1xj0 s PRO 140 Cb 0.05 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1xj0 s PRO 140 CO 0.05 -0.98 -0.18 -0.47 -0.33 0.00 0.00 177.00 175.10 1xj0 s TYR 141 N -2.80 2.04 -0.02 6.54 5.04 -1.26 -1.22 117.35 125.67 1xj0 s TYR 141 Ca 0.60 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 1xj0 s TYR 141 Cb -0.15 -1.43 0.01 0.00 0.35 0.00 0.00 41.96 40.74 1xj0 s TYR 141 CO 0.47 -0.40 -0.07 0.42 -1.34 0.00 0.00 175.55 174.64 1xj0 s ILE 142 N 0.65 0.61 0.02 3.14 1.01 -0.51 -4.99 121.20 121.12 1xj0 s ILE 142 Ca -0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1xj0 s ILE 142 Cb -0.16 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1xj0 s ILE 142 CO 0.04 0.20 0.31 -1.61 0.00 0.00 0.00 174.94 173.88 1xj0 s GLU 143 N 0.29 3.64 0.19 2.79 2.02 -1.26 -1.41 118.70 124.96 1xj0 s GLU 143 Ca -0.04 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.96 1xj0 s GLU 143 Cb -0.08 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1xj0 s GLU 143 CO 0.00 0.63 0.14 0.95 0.02 0.00 0.00 175.26 177.00 1xj0 s THR 144 N -1.30 0.03 -0.20 3.63 -4.23 -0.12 -4.42 115.64 109.04 1xj0 s THR 144 Ca 0.28 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1xj0 s THR 144 Cb -0.14 -2.36 0.09 0.00 1.34 0.00 0.00 72.50 71.44 1xj0 s THR 144 CO 0.16 -0.12 0.22 -0.55 -0.54 0.00 0.00 174.62 173.80 1xj0 s SER 145 N -3.12 1.30 0.52 3.99 0.15 -0.36 -1.74 113.70 114.44 1xj0 s SER 145 Ca 0.34 -0.17 0.29 0.00 0.70 0.00 0.00 55.95 57.11 1xj0 s SER 145 Cb 0.07 0.41 1.38 0.00 -1.71 0.00 0.00 66.02 66.17 1xj0 s SER 145 CO 0.09 -0.32 2.02 0.00 1.20 0.00 0.00 173.24 176.23 1xj0 h ALA 146 N 8.31 1.14 -0.05 5.45 0.00 -1.90 0.28 119.26 132.49 1xj0 h ALA 146 Ca -0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1xj0 h ALA 146 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xj0 h ALA 146 CO 0.27 0.15 -0.15 -0.22 0.00 0.00 0.00 179.25 179.30 1xj0 h LYS 147 N 0.00 0.19 0.00 0.00 3.64 -1.94 -3.34 116.57 115.12 1xj0 h LYS 147 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1xj0 h LYS 147 Cb 0.44 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xj0 h LYS 147 CO 0.02 0.76 -0.88 0.25 -2.27 0.00 0.00 179.45 177.32 1xj0 n THR 148 N -4.61 0.02 -0.66 1.00 -2.24 -1.16 -4.80 114.28 101.83 1xj0 n THR 148 Ca -0.08 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1xj0 n THR 148 Cb 0.39 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1xj0 n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xj0 n ARG 149 N -1.59 0.00 -1.65 -0.78 0.63 0.97 -5.00 116.66 109.23 1xj0 n ARG 149 Ca 0.04 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.49 1xj0 n ARG 149 Cb 0.35 -2.11 -0.05 0.00 0.45 0.00 0.00 32.46 31.11 1xj0 n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1xj0 n GLN 150 N -2.00 1.88 -0.39 -0.14 -0.06 -1.14 -1.88 117.38 113.66 1xj0 n GLN 150 Ca 0.00 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.68 1xj0 n GLN 150 Cb 0.00 -2.42 0.00 0.00 -4.06 0.00 0.00 30.24 23.76 1xj0 n GLN 150 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xj0 n GLY 151 N 3.24 0.83 0.21 1.69 0.00 -1.26 -1.22 105.19 108.69 1xj0 n GLY 151 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1xj0 n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xj0 h VAL 152 N 0.00 0.66 -0.76 1.61 2.07 -1.67 0.05 116.25 118.22 1xj0 h VAL 152 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1xj0 h VAL 152 Cb 0.00 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1xj0 h VAL 152 CO 0.00 0.02 0.32 -0.33 0.02 0.00 0.00 177.57 177.60 1xj0 h GLU 153 N -0.52 1.12 -0.68 1.57 5.08 -1.90 -2.39 114.58 116.86 1xj0 h GLU 153 Ca -0.05 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1xj0 h GLU 153 Cb 0.39 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1xj0 h GLU 153 CO 0.08 0.89 0.38 -0.44 -1.00 0.00 0.00 179.01 178.92 1xj0 h ASP 154 N 1.09 0.56 0.35 1.42 3.32 -1.86 0.14 116.42 121.44 1xj0 h ASP 154 Ca 0.26 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1xj0 h ASP 154 Cb 0.18 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xj0 h ASP 154 CO -0.02 0.36 -0.17 0.00 -1.72 0.00 0.00 179.24 177.69 1xj0 h ALA 155 N 1.35 -0.46 -0.51 3.45 0.00 -0.51 0.24 119.26 122.82 1xj0 h ALA 155 Ca 0.30 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1xj0 h ALA 155 Cb 0.19 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xj0 h ALA 155 CO -0.18 -0.72 -0.10 0.74 0.00 0.00 0.00 179.25 178.98 1xj0 h PHE 156 N -0.54 1.08 -0.32 0.00 0.04 -1.29 -2.46 116.94 113.45 1xj0 h PHE 156 Ca -0.05 -0.22 -0.13 0.00 2.80 0.00 0.00 57.97 60.37 1xj0 h PHE 156 Cb 0.40 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1xj0 h PHE 156 CO -0.03 1.02 -0.32 1.88 -0.60 0.00 0.00 178.31 180.26 1xj0 h TYR 157 N 0.83 0.81 -0.53 -0.55 -1.99 -0.71 -2.10 116.97 112.73 1xj0 h TYR 157 Ca 0.13 -0.21 -0.07 0.00 2.00 0.00 0.00 58.73 60.58 1xj0 h TYR 157 Cb 0.66 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 1xj0 h TYR 157 CO 0.05 0.93 0.05 1.15 -0.00 0.00 0.00 178.16 180.34 1xj0 h THR 158 N 0.59 1.24 -0.73 -2.88 2.02 -0.91 -0.86 112.91 111.38 1xj0 h THR 158 Ca 0.07 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1xj0 h THR 158 Cb 0.84 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1xj0 h THR 158 CO 0.07 0.35 0.23 0.25 0.37 0.00 0.00 175.52 176.78 1xj0 h LEU 159 N 0.81 1.07 -0.83 2.58 5.85 -1.10 -0.29 115.31 123.40 1xj0 h LEU 159 Ca 0.16 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1xj0 h LEU 159 Cb 0.41 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1xj0 h LEU 159 CO 0.01 1.00 0.47 0.58 -0.34 0.00 0.00 178.44 180.16 1xj0 h VAL 160 N 1.09 1.24 0.00 1.05 2.07 -0.78 -0.73 116.25 120.19 1xj0 h VAL 160 Ca 0.24 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1xj0 h VAL 160 Cb 0.31 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1xj0 h VAL 160 CO -0.01 0.26 0.00 0.03 0.02 0.00 0.00 177.57 177.88 1xj0 h ARG 161 N 1.15 0.00 0.21 1.57 3.08 -0.55 -2.09 114.38 117.75 1xj0 h ARG 161 Ca 0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.01 1xj0 h ARG 161 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 1xj0 h ARG 161 CO -0.05 0.00 -1.58 0.93 -1.07 0.00 0.00 179.97 178.20 1xj0 h GLU 162 N 0.00 0.45 0.00 0.04 4.39 0.10 -3.13 114.58 116.43 1xj0 h GLU 162 Ca 0.00 -0.77 -0.02 0.00 0.34 0.00 0.00 59.36 58.92 1xj0 h GLU 162 Cb 0.43 0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1xj0 h GLU 162 CO 0.00 1.36 -0.08 0.82 -1.16 0.00 0.00 179.01 179.95 1xj0 h ILE 163 N 0.12 1.04 0.00 3.13 2.04 -0.66 -1.99 117.51 121.19 1xj0 h ILE 163 Ca -0.28 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1xj0 h ILE 163 Cb 2.12 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 1xj0 h ILE 163 CO 0.23 0.07 -0.28 0.03 0.00 0.00 0.00 178.15 178.20 1xj0 h ARG 164 N 0.00 0.00 0.00 2.37 3.08 -1.40 -3.03 114.38 115.40 1xj0 h ARG 164 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xj0 h ARG 164 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1xj0 h ARG 164 CO 0.01 0.28 -0.42 1.96 -1.07 0.00 0.00 179.97 180.74 1xj0 h GLN 165 N 0.00 0.00 0.00 0.04 4.20 -1.31 -3.51 115.11 114.53 1xj0 h GLN 165 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xj0 h GLN 165 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1xj0 h GLN 165 CO 0.04 0.00 0.00 1.58 -0.67 0.00 0.00 178.83 179.78