#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukz h ALA 10 N 0.00 1.45 -2.27 3.55 0.00 0.85 -3.44 119.26 119.39 1ukz h ALA 10 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 1ukz h ALA 10 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 1ukz h ALA 10 CO 0.00 0.19 -0.67 -0.06 0.00 0.00 0.00 179.25 178.71 1ukz s PHE 11 N -4.38 1.17 0.10 0.00 0.08 0.45 -5.05 117.98 110.36 1ukz s PHE 11 Ca -0.03 -0.99 0.04 0.00 0.12 0.00 0.00 56.93 56.07 1ukz s PHE 11 Cb 0.14 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1ukz s PHE 11 CO 0.63 -0.18 0.06 -1.54 -0.10 0.00 0.00 175.22 174.09 1ukz s SER 12 N -3.16 5.36 0.00 1.36 1.04 -1.26 -4.53 113.70 112.51 1ukz s SER 12 Ca 0.22 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1ukz s SER 12 Cb 0.06 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1ukz s SER 12 CO 0.03 0.15 0.61 -0.81 0.98 0.00 0.00 173.24 174.20 1ukz n PRO 13 N 0.31 0.00 0.01 4.02 -0.04 -1.26 -0.99 135.00 137.05 1ukz n PRO 13 Ca -0.09 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1ukz n PRO 13 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1ukz n PRO 13 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ukz h ASP 14 N 0.00 0.29 0.02 3.54 3.32 -1.96 -3.38 116.42 118.25 1ukz h ASP 14 Ca 0.00 -0.56 -0.06 0.00 0.02 0.00 0.00 57.03 56.43 1ukz h ASP 14 Cb 0.01 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ukz h ASP 14 CO 0.00 1.49 -0.23 1.56 -1.72 0.00 0.00 179.24 180.34 1ukz h GLN 15 N 0.05 0.11 -4.72 3.56 4.20 -1.44 -3.45 115.11 113.42 1ukz h GLN 15 Ca -0.33 -0.16 -0.61 0.00 0.06 0.00 0.00 58.65 57.61 1ukz h GLN 15 Cb 2.03 0.05 -0.36 0.00 0.30 0.00 0.00 27.48 29.50 1ukz h GLN 15 CO 0.11 0.99 -0.84 0.08 -0.67 0.00 0.00 178.83 178.50 1ukz s VAL 16 N -2.68 1.61 -0.25 -0.54 1.01 -0.88 -4.68 120.40 114.00 1ukz s VAL 16 Ca -0.17 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1ukz s VAL 16 Cb -0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1ukz s VAL 16 CO 0.73 0.47 0.27 -0.44 0.00 0.00 0.00 175.10 176.12 1ukz s SER 17 N 1.39 6.19 -0.13 3.32 0.01 0.10 -4.28 113.70 120.31 1ukz s SER 17 Ca 0.03 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1ukz s SER 17 Cb -0.13 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1ukz s SER 17 CO -0.09 -0.05 -0.20 -0.69 0.41 0.00 0.00 173.24 172.61 1ukz s VAL 18 N 1.52 1.91 -0.22 3.43 1.01 -1.26 -0.94 120.40 125.84 1ukz s VAL 18 Ca 0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1ukz s VAL 18 Cb -0.15 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1ukz s VAL 18 CO 0.08 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.98 1ukz s ILE 19 N 0.83 2.74 0.00 2.22 1.01 -0.55 0.13 121.20 127.57 1ukz s ILE 19 Ca -0.08 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 1ukz s ILE 19 Cb -0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1ukz s ILE 19 CO -0.01 0.33 0.89 -0.36 0.00 0.00 0.00 174.94 175.79 1ukz s PHE 20 N 1.34 3.66 -0.33 3.97 0.08 -0.86 -1.25 117.98 124.59 1ukz s PHE 20 Ca 0.02 1.58 -0.06 0.00 0.12 0.00 0.00 56.93 58.60 1ukz s PHE 20 Cb -0.15 -3.01 0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1ukz s PHE 20 CO -0.06 0.07 0.09 0.08 -0.10 0.00 0.00 175.22 175.29 1ukz s VAL 21 N 0.74 3.66 0.40 -0.44 1.01 0.47 -0.02 120.40 126.23 1ukz s VAL 21 Ca 0.47 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1ukz s VAL 21 Cb -0.20 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 1ukz s VAL 21 CO 0.25 -0.17 0.07 -0.76 0.00 0.00 0.00 175.10 174.50 1ukz s LEU 22 N 1.38 2.98 0.00 3.92 1.43 0.74 -1.42 118.68 127.71 1ukz s LEU 22 Ca -0.02 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1ukz s LEU 22 Cb -0.20 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1ukz s LEU 22 CO 0.02 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1ukz n GLY 23 N -1.07 3.95 3.62 -3.19 0.00 -1.26 -0.77 105.19 106.46 1ukz n GLY 23 Ca -0.03 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1ukz n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukz s GLY 24 N 0.00 1.55 0.21 -0.02 0.00 -1.26 -4.91 107.32 102.90 1ukz s GLY 24 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 44.72 43.93 1ukz s GLY 24 CO 0.00 0.22 1.48 2.56 0.00 0.00 0.00 173.10 177.36 1ukz s PRO 25 N -4.98 4.25 0.00 2.90 0.04 -1.26 -2.50 135.00 133.45 1ukz s PRO 25 Ca 0.67 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1ukz s PRO 25 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ukz s PRO 25 CO 0.58 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1ukz n GLY 26 N 2.83 0.54 0.21 0.56 0.00 -1.26 -4.77 105.19 103.30 1ukz n GLY 26 Ca 0.10 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1ukz n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukz h ALA 27 N 0.00 1.00 0.00 4.61 0.00 -1.82 -3.42 119.26 119.63 1ukz h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ukz h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ukz h ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ukz n GLY 28 N 0.54 1.32 0.22 0.00 0.00 -1.26 -4.77 105.19 101.24 1ukz n GLY 28 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1ukz n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukz h LYS 29 N 0.66 -0.47 -0.59 1.61 1.57 -1.90 -1.03 116.57 116.42 1ukz h LYS 29 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ukz h LYS 29 Cb 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1ukz h LYS 29 CO 0.00 -0.30 0.35 0.78 -0.57 0.00 0.00 179.45 179.71 1ukz h GLY 30 N -0.49 0.86 0.74 3.86 0.00 -1.98 -0.58 103.07 105.48 1ukz h GLY 30 Ca -0.05 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1ukz h GLY 30 CO 0.08 0.35 -0.01 -0.84 0.00 0.00 0.00 176.54 176.12 1ukz h THR 31 N 0.80 0.88 -0.30 4.70 2.02 -1.95 -1.52 112.91 117.55 1ukz h THR 31 Ca 0.21 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 1ukz h THR 31 Cb -0.01 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1ukz h THR 31 CO -0.04 0.01 -0.34 1.56 0.37 0.00 0.00 175.52 177.07 1ukz h GLN 32 N 0.03 0.65 -0.61 6.66 1.08 -0.97 -2.72 115.11 119.24 1ukz h GLN 32 Ca 0.07 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1ukz h GLN 32 Cb 0.10 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1ukz h GLN 32 CO -0.14 0.90 0.14 0.00 -0.95 0.00 0.00 178.83 178.78 1ukz h GLU 34 N 0.92 0.12 -0.03 0.00 4.39 -1.10 -1.52 114.58 117.36 1ukz h GLU 34 Ca 0.19 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.69 1ukz h GLU 34 Cb 0.35 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1ukz h GLU 34 CO 0.00 0.46 -0.59 0.87 -1.16 0.00 0.00 179.01 178.59 1ukz h LYS 35 N 0.10 0.46 -0.96 2.33 1.57 -1.09 -3.24 116.57 115.74 1ukz h LYS 35 Ca 0.01 -0.45 0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1ukz h LYS 35 Cb 0.69 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.04 1ukz h LYS 35 CO 0.05 1.10 0.62 -0.07 -0.57 0.00 0.00 179.45 180.58 1ukz h LEU 36 N -0.01 0.92 -1.10 2.94 3.38 -0.67 -0.56 115.31 120.22 1ukz h LEU 36 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ukz h LEU 36 Cb 1.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1ukz h LEU 36 CO 0.12 0.55 0.00 -0.37 0.09 0.00 0.00 178.44 178.83 1ukz h VAL 37 N 1.02 0.00 0.11 1.22 -1.51 -1.31 0.17 116.25 115.95 1ukz h VAL 37 Ca 0.44 -0.17 -0.27 0.00 -1.23 0.00 0.00 66.70 65.47 1ukz h VAL 37 Cb 0.34 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1ukz h VAL 37 CO -0.20 0.00 -1.19 0.11 -1.23 0.00 0.00 177.57 175.06 1ukz h LYS 38 N 0.00 0.39 0.00 5.19 1.57 -1.19 -3.36 116.57 119.16 1ukz h LYS 38 Ca 0.00 -0.56 -0.09 0.00 -1.87 0.00 0.00 60.65 58.13 1ukz h LYS 38 Cb 0.24 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1ukz h LYS 38 CO 0.00 1.24 -1.84 -0.25 -0.57 0.00 0.00 179.45 178.03 1ukz n ASP 39 N -3.65 0.25 -4.55 0.86 8.00 -0.75 -4.99 116.55 111.71 1ukz n ASP 39 Ca -0.10 0.10 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1ukz n ASP 39 Cb 0.98 1.34 -0.11 0.00 -0.02 0.00 0.00 41.12 43.31 1ukz n ASP 39 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ukz s TYR 40 N -3.23 2.42 -2.03 1.24 1.51 0.52 -5.03 117.35 112.73 1ukz s TYR 40 Ca -0.07 -0.52 0.09 0.00 -1.01 0.00 0.00 57.07 55.56 1ukz s TYR 40 Cb 0.11 -1.43 0.38 0.00 -0.11 0.00 0.00 41.96 40.91 1ukz s TYR 40 CO 0.86 0.56 1.27 -1.13 -1.11 0.00 0.00 175.55 176.01 1ukz n SER 41 N -0.82 0.72 -4.77 2.29 3.41 -1.26 -4.59 113.62 108.60 1ukz n SER 41 Ca -0.05 -1.86 -0.36 0.00 -0.26 0.00 0.00 58.87 56.34 1ukz n SER 41 Cb 0.64 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1ukz n SER 41 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ukz s PHE 42 N -1.84 2.80 -0.17 7.33 0.08 -1.26 -4.69 117.98 120.22 1ukz s PHE 42 Ca 0.15 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.66 1ukz s PHE 42 Cb 0.08 -3.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 1ukz s PHE 42 CO 0.12 -1.54 0.10 0.08 -0.10 0.00 0.00 175.22 173.88 1ukz s VAL 43 N -1.62 5.18 -0.34 -0.44 1.01 0.93 -4.68 120.40 120.44 1ukz s VAL 43 Ca 0.67 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1ukz s VAL 43 Cb -0.27 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1ukz s VAL 43 CO 0.32 0.50 0.39 -2.28 0.00 0.00 0.00 175.10 174.02 1ukz s HIS 44 N -0.01 3.21 -0.20 5.22 2.46 -1.26 0.06 115.29 124.76 1ukz s HIS 44 Ca 0.08 0.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.61 1ukz s HIS 44 Cb -0.12 -2.71 -0.01 0.00 -0.13 0.00 0.00 32.58 29.62 1ukz s HIS 44 CO 0.00 -0.44 -0.06 -0.51 -2.47 0.00 0.00 174.74 171.26 1ukz s LEU 45 N 2.08 2.85 -0.22 8.88 1.02 0.16 -4.97 118.68 128.49 1ukz s LEU 45 Ca 0.13 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 53.83 1ukz s LEU 45 Cb -0.16 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1ukz s LEU 45 CO 0.12 0.02 0.07 -0.55 0.02 0.00 0.00 176.35 176.02 1ukz s SER 46 N 1.25 5.34 0.19 2.29 0.15 -1.26 -0.33 113.70 121.32 1ukz s SER 46 Ca 0.03 -0.09 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 1ukz s SER 46 Cb -0.14 -1.94 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 1ukz s SER 46 CO -0.02 0.05 1.70 0.00 1.20 0.00 0.00 173.24 176.16 1ukz h ALA 47 N 7.61 0.87 -0.70 5.45 0.00 -1.46 -0.75 119.26 130.29 1ukz h ALA 47 Ca -0.37 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ukz h ALA 47 Cb 1.18 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1ukz h ALA 47 CO 0.62 0.60 0.47 0.78 0.00 0.00 0.00 179.25 181.72 1ukz h GLY 48 N 0.99 0.99 0.95 0.00 0.00 -1.87 -0.97 103.07 103.16 1ukz h GLY 48 Ca 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1ukz h GLY 48 CO 0.00 0.36 0.17 -0.55 0.00 0.00 0.00 176.54 176.52 1ukz h ASP 49 N 0.95 0.60 -0.83 0.19 3.32 -1.84 0.20 116.42 119.01 1ukz h ASP 49 Ca 0.26 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ukz h ASP 49 Cb -0.11 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1ukz h ASP 49 CO -0.06 0.61 0.48 -0.07 -1.72 0.00 0.00 179.24 178.48 1ukz h LEU 50 N 0.56 1.03 -0.19 1.55 3.38 -0.69 -0.55 115.31 120.40 1ukz h LEU 50 Ca 0.14 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ukz h LEU 50 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ukz h LEU 50 CO -0.01 0.81 -0.18 -0.07 0.09 0.00 0.00 178.44 179.08 1ukz h LEU 51 N 1.16 0.48 -1.58 1.67 3.38 -0.99 -2.38 115.31 117.06 1ukz h LEU 51 Ca 0.30 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1ukz h LEU 51 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ukz h LEU 51 CO -0.05 0.86 -0.08 0.03 0.09 0.00 0.00 178.44 179.29 1ukz h ARG 52 N 0.11 0.17 -0.25 1.13 3.08 -0.63 -0.58 114.38 117.41 1ukz h ARG 52 Ca 0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1ukz h ARG 52 Cb 0.72 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1ukz h ARG 52 CO 0.05 0.26 -0.20 0.00 -1.07 0.00 0.00 179.97 179.01 1ukz h ALA 53 N 1.76 0.37 -0.61 0.04 0.00 -0.99 -2.85 119.26 116.97 1ukz h ALA 53 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1ukz h ALA 53 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ukz h ALA 53 CO 0.01 0.31 0.05 1.49 0.00 0.00 0.00 179.25 181.11 1ukz h GLU 54 N 0.30 1.04 -0.98 0.00 4.57 -1.04 -2.22 114.58 116.26 1ukz h GLU 54 Ca 0.05 -0.30 0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1ukz h GLU 54 Cb 0.74 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.14 1ukz h GLU 54 CO 0.05 0.99 0.61 0.37 -1.18 0.00 0.00 179.01 179.85 1ukz h GLN 55 N 0.96 0.95 -0.05 1.92 4.15 -1.02 -1.71 115.11 120.31 1ukz h GLN 55 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1ukz h GLN 55 Cb 0.49 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1ukz h GLN 55 CO 0.02 0.63 0.00 0.41 -1.93 0.00 0.00 178.83 177.96 1ukz n GLY 56 N -1.34 0.47 3.68 2.39 0.00 -1.09 -4.49 105.19 104.81 1ukz n GLY 56 Ca 0.18 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1ukz n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ukz s ARG 57 N -1.95 4.25 0.07 1.61 3.52 -0.65 -4.93 118.95 120.87 1ukz s ARG 57 Ca 0.34 2.03 -0.32 0.00 -0.13 0.00 0.00 55.73 57.66 1ukz s ARG 57 Cb 0.20 -3.64 -0.11 0.00 -1.56 0.00 0.00 34.95 29.85 1ukz s ARG 57 CO 0.32 -0.64 1.87 0.00 -0.81 0.00 0.00 175.30 176.03 1ukz n ALA 58 N 5.71 1.75 -0.17 6.12 0.00 -1.26 -1.28 120.51 131.38 1ukz n ALA 58 Ca 0.14 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1ukz n ALA 58 Cb 0.43 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1ukz n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukz n GLY 59 N 4.29 0.70 3.75 0.00 0.00 -1.26 -5.05 105.19 107.63 1ukz n GLY 59 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ukz n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukz s SER 60 N -2.82 6.80 0.00 1.61 0.15 -0.41 -4.90 113.70 114.13 1ukz s SER 60 Ca 0.00 2.57 0.27 0.00 0.70 0.00 0.00 55.95 59.49 1ukz s SER 60 Cb 0.00 -2.63 0.85 0.00 -1.71 0.00 0.00 66.02 62.53 1ukz s SER 60 CO 0.00 -0.57 1.62 0.00 1.20 0.00 0.00 173.24 175.50 1ukz n GLN 61 N 1.87 1.04 -0.06 5.44 6.02 -1.26 -3.92 117.38 126.51 1ukz n GLN 61 Ca 0.04 -0.60 0.11 0.00 -0.01 0.00 0.00 57.00 56.53 1ukz n GLN 61 Cb 0.42 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 30.32 1ukz n GLN 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ukz n TYR 62 N -0.45 0.16 -0.11 1.08 4.01 -1.26 -4.68 117.16 115.91 1ukz n TYR 62 Ca 0.14 -0.09 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ukz n TYR 62 Cb 0.35 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1ukz n TYR 62 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ukz h GLY 63 N 4.21 -0.19 0.89 2.72 0.00 -1.79 -0.99 103.07 107.93 1ukz h GLY 63 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 1ukz h GLY 63 CO 0.00 -0.21 -0.24 0.83 0.00 0.00 0.00 176.54 176.92 1ukz h GLU 64 N -0.24 0.58 0.07 4.80 4.39 -1.88 -2.28 114.58 120.02 1ukz h GLU 64 Ca 0.17 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.59 1ukz h GLU 64 Cb 0.52 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1ukz h GLU 64 CO -0.51 0.91 -0.25 1.25 -1.16 0.00 0.00 179.01 179.24 1ukz h LEU 65 N 0.29 -0.73 -0.46 1.33 6.46 -1.79 -0.30 115.31 120.12 1ukz h LEU 65 Ca 0.04 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ukz h LEU 65 Cb 0.80 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1ukz h LEU 65 CO 0.06 -0.33 0.29 0.40 -0.62 0.00 0.00 178.44 178.23 1ukz h ILE 66 N -0.43 1.13 -0.59 4.05 2.04 -1.26 -0.26 117.51 122.19 1ukz h ILE 66 Ca 0.04 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.72 1ukz h ILE 66 Cb 0.48 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1ukz h ILE 66 CO -0.18 0.13 0.19 0.50 0.00 0.00 0.00 178.15 178.80 1ukz h LYS 67 N 0.61 0.35 -0.23 2.37 3.64 -1.09 -0.23 116.57 121.98 1ukz h LYS 67 Ca 0.16 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 1ukz h LYS 67 Cb -0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1ukz h LYS 67 CO -0.03 0.23 -0.63 -0.91 -2.27 0.00 0.00 179.45 175.84 1ukz h ASN 68 N 0.36 0.91 -0.22 4.20 -0.26 -0.54 -2.63 115.58 117.40 1ukz h ASN 68 Ca 0.30 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.51 1ukz h ASN 68 Cb 0.39 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1ukz h ASN 68 CO -0.32 1.32 0.15 0.00 -1.06 0.00 0.00 177.43 177.51 1ukz h ILE 70 N 0.30 1.01 -0.30 0.00 2.04 -1.07 0.39 117.51 119.88 1ukz h ILE 70 Ca 0.08 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1ukz h ILE 70 Cb -0.02 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1ukz h ILE 70 CO -0.02 0.06 0.06 0.50 0.00 0.00 0.00 178.15 178.75 1ukz h LYS 71 N 0.31 0.43 -0.01 2.37 3.64 -1.34 -1.59 116.57 120.37 1ukz h LYS 71 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ukz h LYS 71 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1ukz h LYS 71 CO -0.06 0.42 -0.13 0.39 -2.27 0.00 0.00 179.45 177.80 1ukz n GLU 72 N -4.36 1.27 -2.13 1.90 -0.58 -0.81 -4.50 120.64 111.44 1ukz n GLU 72 Ca 0.01 -0.75 -0.14 0.00 -0.42 0.00 0.00 57.16 55.86 1ukz n GLU 72 Cb 0.18 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1ukz n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukz n GLY 73 N 1.26 0.06 3.90 0.62 0.00 0.12 -4.64 105.19 106.50 1ukz n GLY 73 Ca 0.16 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1ukz n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ukz s GLN 74 N -4.46 3.68 -0.31 1.61 -0.21 0.11 -4.51 119.66 115.57 1ukz s GLN 74 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 55.36 55.25 1ukz s GLN 74 Cb 0.00 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.46 1ukz s GLN 74 CO 0.00 0.13 1.04 0.42 -2.12 0.00 0.00 175.29 174.76 1ukz s ILE 75 N -2.18 4.55 0.30 1.08 -1.09 -1.26 -4.47 121.20 118.13 1ukz s ILE 75 Ca 0.46 1.70 -0.29 0.00 -2.23 0.00 0.00 60.65 60.29 1ukz s ILE 75 Cb -0.11 -4.38 -0.10 0.00 -1.58 0.00 0.00 42.46 36.29 1ukz s ILE 75 CO 0.30 -0.43 1.42 -0.69 -1.23 0.00 0.00 174.94 174.31 1ukz s VAL 76 N 3.54 2.51 0.12 2.92 1.01 -1.26 -4.89 120.40 124.35 1ukz s VAL 76 Ca 0.44 0.47 -0.34 0.00 0.00 0.00 0.00 61.98 62.55 1ukz s VAL 76 Cb -0.13 -3.30 -0.17 0.00 0.00 0.00 0.00 36.38 32.78 1ukz s VAL 76 CO 0.14 0.09 0.97 -2.65 0.00 0.00 0.00 175.10 173.66 1ukz n PRO 77 N 1.52 0.47 -0.04 2.72 -0.02 -1.26 -4.71 135.00 133.68 1ukz n PRO 77 Ca 0.04 0.17 0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1ukz n PRO 77 Cb 0.40 -1.54 0.61 0.00 -0.02 0.00 0.00 33.50 32.95 1ukz n PRO 77 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ukz h GLN 78 N 2.67 0.16 -0.57 -0.52 3.07 -1.98 -1.99 115.11 115.94 1ukz h GLN 78 Ca -0.42 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.33 1ukz h GLN 78 Cb 1.40 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.89 1ukz h GLN 78 CO 0.65 0.11 0.36 0.93 0.09 0.00 0.00 178.83 180.97 1ukz h GLU 79 N 0.17 0.69 0.03 0.06 3.07 -1.99 0.62 114.58 117.23 1ukz h GLU 79 Ca 0.27 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1ukz h GLU 79 Cb 0.86 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1ukz h GLU 79 CO -0.04 0.46 -0.01 0.82 -1.40 0.00 0.00 179.01 178.83 1ukz h ILE 80 N 0.71 1.34 -0.21 3.13 2.04 -1.73 -2.65 117.51 120.14 1ukz h ILE 80 Ca 0.22 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1ukz h ILE 80 Cb -0.01 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1ukz h ILE 80 CO -0.08 0.30 0.08 0.74 0.00 0.00 0.00 178.15 179.19 1ukz h THR 81 N -0.55 0.97 -0.72 -0.27 2.02 -1.10 -2.28 112.91 110.97 1ukz h THR 81 Ca -0.00 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1ukz h THR 81 Cb 0.52 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1ukz h THR 81 CO 0.01 0.03 0.27 -0.07 0.37 0.00 0.00 175.52 176.13 1ukz h LEU 82 N 0.19 1.00 -0.70 2.58 3.38 0.15 -1.66 115.31 120.25 1ukz h LEU 82 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ukz h LEU 82 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1ukz h LEU 82 CO -0.08 0.90 0.34 0.00 0.09 0.00 0.00 178.44 179.69 1ukz h ALA 83 N 1.24 0.90 -0.49 1.53 0.00 -1.08 0.16 119.26 121.52 1ukz h ALA 83 Ca 0.24 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ukz h ALA 83 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ukz h ALA 83 CO -0.02 0.46 -0.17 -0.07 0.00 0.00 0.00 179.25 179.45 1ukz h LEU 84 N 0.97 0.99 -0.48 0.00 3.38 -1.19 -1.67 115.31 117.32 1ukz h LEU 84 Ca 0.24 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1ukz h LEU 84 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ukz h LEU 84 CO -0.03 1.15 -0.10 -0.07 0.09 0.00 0.00 178.44 179.47 1ukz h LEU 85 N 0.83 0.92 -0.68 1.67 3.38 -1.00 -2.31 115.31 118.12 1ukz h LEU 85 Ca 0.12 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ukz h LEU 85 Cb 0.74 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1ukz h LEU 85 CO 0.06 1.06 0.25 -0.09 0.09 0.00 0.00 178.44 179.80 1ukz h ARG 86 N 0.76 1.04 -0.66 1.13 2.43 -0.52 -1.04 114.38 117.52 1ukz h ARG 86 Ca 0.12 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1ukz h ARG 86 Cb 0.65 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1ukz h ARG 86 CO 0.04 0.88 0.12 -0.91 -1.51 0.00 0.00 179.97 178.59 1ukz h ASN 87 N 0.98 1.03 -0.35 -3.80 -0.26 -1.22 -0.24 115.58 111.74 1ukz h ASN 87 Ca 0.22 -0.24 -0.16 0.00 -0.56 0.00 0.00 56.30 55.57 1ukz h ASN 87 Cb 0.25 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1ukz h ASN 87 CO -0.01 1.02 -0.40 0.00 -1.06 0.00 0.00 177.43 176.97 1ukz h ALA 88 N 1.10 0.59 -0.33 -0.83 0.00 -1.19 -1.17 119.26 117.43 1ukz h ALA 88 Ca 0.20 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ukz h ALA 88 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ukz h ALA 88 CO 0.01 0.68 0.06 0.82 0.00 0.00 0.00 179.25 180.82 1ukz h ILE 89 N 0.73 1.23 -0.34 0.00 2.04 -1.01 -2.49 117.51 117.68 1ukz h ILE 89 Ca 0.06 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1ukz h ILE 89 Cb 0.99 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1ukz h ILE 89 CO 0.10 0.27 0.22 0.28 0.00 0.00 0.00 178.15 179.02 1ukz h SER 90 N 0.38 0.39 -0.86 1.72 0.02 -0.94 0.22 113.55 114.49 1ukz h SER 90 Ca 0.10 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1ukz h SER 90 Cb 0.33 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1ukz h SER 90 CO 0.00 0.28 0.56 0.44 -1.14 0.00 0.00 176.83 176.98 1ukz h ASP 91 N 0.46 0.82 -0.02 3.07 3.32 -1.11 -1.25 116.42 121.71 1ukz h ASP 91 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1ukz h ASP 91 Cb -0.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1ukz h ASP 91 CO -0.03 0.52 -0.09 0.78 -1.72 0.00 0.00 179.24 178.71 1ukz h ASN 92 N 0.93 0.12 -1.00 6.45 2.35 -0.89 -2.54 115.58 120.99 1ukz h ASN 92 Ca 0.38 -0.63 0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1ukz h ASN 92 Cb 0.26 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 1ukz h ASN 92 CO -0.14 0.73 0.64 0.58 -1.65 0.00 0.00 177.43 177.59 1ukz h VAL 93 N -0.49 0.99 -0.68 2.81 2.07 -0.73 0.17 116.25 120.40 1ukz h VAL 93 Ca -0.00 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1ukz h VAL 93 Cb 0.72 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1ukz h VAL 93 CO 0.02 0.20 0.40 0.50 0.02 0.00 0.00 177.57 178.71 1ukz h LYS 94 N 1.07 0.74 -0.62 1.57 3.64 -1.23 0.14 116.57 121.88 1ukz h LYS 94 Ca 0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1ukz h LYS 94 Cb 0.35 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1ukz h LYS 94 CO -0.22 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 1ukz n ALA 95 N -2.33 2.59 -2.79 5.00 0.00 0.43 -4.86 120.51 118.54 1ukz n ALA 95 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1ukz n ALA 95 Cb 0.14 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.61 1ukz n ALA 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ukz n ASN 96 N -0.06 -5.09 -4.39 0.00 3.02 0.49 -5.01 115.26 104.23 1ukz n ASN 96 Ca 0.03 -0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 54.01 1ukz n ASN 96 Cb 0.25 -3.97 -0.13 0.00 -0.61 0.00 0.00 39.78 35.32 1ukz n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ukz s LYS 97 N -5.37 3.44 0.00 3.52 3.01 -0.17 -4.96 119.74 119.21 1ukz s LYS 97 Ca 0.21 -0.61 0.04 0.00 -1.01 0.00 0.00 55.97 54.59 1ukz s LYS 97 Cb -0.09 -3.29 0.01 0.00 -1.01 0.00 0.00 37.83 33.45 1ukz s LYS 97 CO 0.26 -0.27 0.47 0.72 0.51 0.00 0.00 175.35 177.04 1ukz n HIS 98 N 4.89 0.00 -4.80 3.18 8.25 -1.26 -2.61 115.22 122.86 1ukz n HIS 98 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 1ukz n HIS 98 Cb 0.50 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.45 1ukz n HIS 98 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ukz s LYS 99 N -0.61 3.05 0.00 -0.41 1.02 -1.26 0.03 119.74 121.55 1ukz s LYS 99 Ca 0.03 -0.85 0.05 0.00 0.02 0.00 0.00 55.97 55.22 1ukz s LYS 99 Cb 0.03 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1ukz s LYS 99 CO 0.07 0.04 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.34 1ukz s PHE 100 N 0.69 1.29 -0.36 3.18 0.08 -0.11 -0.05 117.98 122.70 1ukz s PHE 100 Ca -0.10 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.61 1ukz s PHE 100 Cb -0.16 -0.82 0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1ukz s PHE 100 CO 0.01 -0.00 0.15 -0.51 -0.10 0.00 0.00 175.22 174.76 1ukz s LEU 101 N -0.54 4.58 -0.45 -0.37 1.43 0.11 -1.49 118.68 121.96 1ukz s LEU 101 Ca 0.05 -1.29 -0.14 0.00 -1.03 0.00 0.00 54.13 51.72 1ukz s LEU 101 Cb -0.06 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.33 1ukz s LEU 101 CO -0.00 -0.39 0.35 -0.63 0.23 0.00 0.00 176.35 175.91 1ukz s ILE 102 N 1.39 5.06 -0.17 -0.59 1.01 -0.38 -0.66 121.20 126.85 1ukz s ILE 102 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 1ukz s ILE 102 Cb -0.21 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1ukz s ILE 102 CO 0.02 -0.50 0.39 -0.62 0.00 0.00 0.00 174.94 174.24 1ukz s ASP 103 N 2.29 6.49 0.00 3.58 2.15 0.55 -0.39 116.67 131.34 1ukz s ASP 103 Ca 0.04 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.60 1ukz s ASP 103 Cb -0.23 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ukz s ASP 103 CO 0.07 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.66 1ukz n GLY 104 N 3.65 0.57 3.26 2.66 0.00 -0.51 -1.24 105.19 113.58 1ukz n GLY 104 Ca -0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1ukz n GLY 104 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ukz s PHE 105 N -2.00 -0.42 0.16 1.61 2.19 -1.26 -4.37 117.98 113.89 1ukz s PHE 105 Ca 0.00 1.01 -0.23 0.00 0.33 0.00 0.00 56.93 58.05 1ukz s PHE 105 Cb 0.00 0.15 -0.08 0.00 -1.31 0.00 0.00 43.02 41.78 1ukz s PHE 105 CO 0.00 -0.21 0.72 -1.25 1.83 0.00 0.00 175.22 176.31 1ukz s PRO 106 N 0.33 4.41 0.00 10.12 0.04 -1.26 -4.40 135.00 144.24 1ukz s PRO 106 Ca -0.01 1.00 0.13 0.00 0.04 0.00 0.00 61.00 62.17 1ukz s PRO 106 Cb -0.03 -3.16 0.25 0.00 0.04 0.00 0.00 34.50 31.60 1ukz s PRO 106 CO -0.01 0.54 1.13 0.54 0.04 0.00 0.00 177.00 179.24 1ukz n ARG 107 N 1.39 1.91 -3.69 4.56 1.74 -1.26 -4.94 116.66 116.38 1ukz n ARG 107 Ca -0.06 -1.77 -0.15 0.00 -0.77 0.00 0.00 57.85 55.11 1ukz n ARG 107 Cb 0.50 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 1ukz n ARG 107 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1ukz s LYS 108 N -1.07 0.74 0.26 5.56 2.20 -1.26 -3.32 119.74 122.85 1ukz s LYS 108 Ca 0.23 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.93 1ukz s LYS 108 Cb 0.13 0.34 0.44 0.00 -1.51 0.00 0.00 37.83 37.24 1ukz s LYS 108 CO 0.18 -0.19 1.82 0.52 -0.36 0.00 0.00 175.35 177.32 1ukz h MET 109 N 3.99 0.86 0.03 4.03 2.86 -1.93 -2.22 114.93 122.54 1ukz h MET 109 Ca -0.28 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1ukz h MET 109 Cb 1.17 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1ukz h MET 109 CO 0.35 0.57 -0.06 0.38 1.06 0.00 0.00 176.91 179.21 1ukz h ASP 110 N 0.88 -0.18 0.57 1.22 2.03 -1.99 -1.11 116.42 117.85 1ukz h ASP 110 Ca 0.43 0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.71 1ukz h ASP 110 Cb 0.39 0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 1ukz h ASP 110 CO -0.25 -0.10 -0.19 0.06 -1.03 0.00 0.00 179.24 177.73 1ukz h GLN 111 N -0.13 0.00 -0.06 4.15 3.07 -1.92 -0.52 115.11 119.70 1ukz h GLN 111 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 1ukz h GLN 111 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.70 1ukz h GLN 111 CO -0.05 0.19 -0.04 0.00 0.09 0.00 0.00 178.83 179.03 1ukz h ALA 112 N 1.81 0.09 -0.36 0.06 0.00 -0.83 -1.17 119.26 118.85 1ukz h ALA 112 Ca -0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1ukz h ALA 112 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ukz h ALA 112 CO 0.03 -0.15 -0.32 0.82 0.00 0.00 0.00 179.25 179.62 1ukz h ILE 113 N -0.26 1.28 -0.44 0.00 2.04 -0.85 -2.51 117.51 116.77 1ukz h ILE 113 Ca 0.01 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1ukz h ILE 113 Cb 0.49 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1ukz h ILE 113 CO 0.01 0.49 0.22 0.28 0.00 0.00 0.00 178.15 179.16 1ukz h SER 114 N 0.65 0.57 0.47 1.72 0.02 -1.13 -1.17 113.55 114.68 1ukz h SER 114 Ca 0.06 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1ukz h SER 114 Cb 0.91 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1ukz h SER 114 CO 0.08 0.53 -0.29 0.15 -1.14 0.00 0.00 176.83 176.16 1ukz h PHE 115 N 0.58 -0.76 0.00 3.45 3.04 -1.17 0.17 116.94 122.24 1ukz h PHE 115 Ca 0.15 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 1ukz h PHE 115 Cb 0.10 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 1ukz h PHE 115 CO -0.01 -0.45 -0.15 0.93 -2.02 0.00 0.00 178.31 176.61 1ukz h GLU 116 N -0.72 0.00 0.07 1.11 5.08 -1.39 0.12 114.58 118.85 1ukz h GLU 116 Ca -0.05 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 1ukz h GLU 116 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1ukz h GLU 116 CO 0.05 0.15 -1.66 0.07 -1.00 0.00 0.00 179.01 176.63 1ukz h ARG 117 N 0.00 0.14 0.00 2.33 0.11 -0.89 -3.30 114.38 112.78 1ukz h ARG 117 Ca -0.00 -0.24 -0.32 0.00 0.10 0.00 0.00 59.98 59.52 1ukz h ARG 117 Cb 0.30 0.09 -0.06 0.00 1.11 0.00 0.00 29.97 31.41 1ukz h ARG 117 CO 0.02 0.90 -2.15 -0.25 0.10 0.00 0.00 179.97 178.59 1ukz n ASP 118 N -3.30 0.26 0.00 0.08 8.00 0.56 -3.40 116.55 118.75 1ukz n ASP 118 Ca -0.19 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1ukz n ASP 118 Cb 1.04 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 1ukz n ASP 118 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ukz n ILE 119 N -2.80 0.00 -3.58 0.53 5.41 0.39 0.11 119.36 119.42 1ukz n ILE 119 Ca -0.26 0.33 -0.12 0.00 1.00 0.00 0.00 62.75 63.71 1ukz n ILE 119 Cb 1.08 -1.32 -0.06 0.00 -0.71 0.00 0.00 39.64 38.63 1ukz n ILE 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ukz s VAL 120 N -0.88 0.00 0.08 1.39 0.11 -0.95 -0.41 120.40 119.74 1ukz s VAL 120 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1ukz s VAL 120 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1ukz s VAL 120 CO 0.00 0.00 1.00 -0.70 -3.33 0.00 0.00 175.10 172.07 1ukz s GLU 121 N -0.89 4.62 0.66 1.54 2.12 -1.24 -3.82 118.70 121.68 1ukz s GLU 121 Ca -0.03 1.50 -0.15 0.00 0.36 0.00 0.00 54.97 56.65 1ukz s GLU 121 Cb -0.01 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 1ukz s GLU 121 CO 0.02 0.07 1.11 -1.54 -0.54 0.00 0.00 175.26 174.38 1ukz s SER 122 N 0.41 5.13 -0.04 -1.70 1.04 -1.26 -4.69 113.70 112.59 1ukz s SER 122 Ca 0.50 2.00 -0.13 0.00 0.48 0.00 0.00 55.95 58.80 1ukz s SER 122 Cb -0.24 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 1ukz s SER 122 CO 0.30 -1.62 0.56 0.11 0.98 0.00 0.00 173.24 173.57 1ukz h LYS 123 N 0.06 -0.46 -3.02 4.02 1.57 -0.69 -3.48 116.57 114.56 1ukz h LYS 123 Ca -0.47 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1ukz h LYS 123 Cb 1.25 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 1ukz h LYS 123 CO 0.54 -0.31 0.21 -0.59 -0.57 0.00 0.00 179.45 178.73 1ukz s PHE 124 N -3.11 -0.32 -0.17 -1.35 -0.71 -1.24 -4.98 117.98 106.10 1ukz s PHE 124 Ca -0.07 -0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1ukz s PHE 124 Cb 0.01 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.41 1ukz s PHE 124 CO 0.21 -1.06 0.01 0.42 -1.34 0.00 0.00 175.22 173.46 1ukz s ILE 125 N -3.85 4.28 -0.39 -4.49 1.09 0.63 -2.02 121.20 116.44 1ukz s ILE 125 Ca 0.07 -0.22 -0.13 0.00 -1.10 0.00 0.00 60.65 59.28 1ukz s ILE 125 Cb -0.04 -2.91 0.02 0.00 -1.06 0.00 0.00 42.46 38.48 1ukz s ILE 125 CO -0.02 0.47 0.24 -0.22 -0.10 0.00 0.00 174.94 175.32 1ukz s LEU 126 N 0.45 4.86 -0.25 2.97 2.96 0.97 -0.66 118.68 129.98 1ukz s LEU 126 Ca -0.01 -0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 1ukz s LEU 126 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1ukz s LEU 126 CO 0.02 -0.40 0.07 0.12 -1.32 0.00 0.00 176.35 174.83 1ukz s PHE 127 N 1.61 3.08 -0.81 5.38 5.36 -0.08 -0.18 117.98 132.34 1ukz s PHE 127 Ca 0.03 -0.43 -0.20 0.00 -0.96 0.00 0.00 56.93 55.38 1ukz s PHE 127 Cb -0.19 -2.23 0.11 0.00 -0.34 0.00 0.00 43.02 40.37 1ukz s PHE 127 CO 0.08 -0.35 1.04 -0.06 -1.46 0.00 0.00 175.22 174.47 1ukz s PHE 128 N 1.59 2.95 -0.16 10.12 0.08 0.05 -0.77 117.98 131.84 1ukz s PHE 128 Ca 0.06 -1.06 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1ukz s PHE 128 Cb -0.15 -4.27 -0.04 0.00 -0.57 0.00 0.00 43.02 37.99 1ukz s PHE 128 CO 0.03 -1.54 1.65 0.34 -0.10 0.00 0.00 175.22 175.61 1ukz s ASP 129 N 3.67 6.46 -0.02 1.36 -1.08 0.33 -4.45 116.67 122.93 1ukz s ASP 129 Ca 0.28 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 54.17 1ukz s ASP 129 Cb -0.10 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1ukz s ASP 129 CO -0.02 -1.15 0.03 0.00 0.52 0.00 0.00 175.17 174.55 1ukz s PRO 131 N 1.06 3.44 0.29 0.00 0.02 -1.26 -4.88 135.00 133.67 1ukz s PRO 131 Ca -0.09 1.92 0.02 0.00 0.02 0.00 0.00 61.00 62.87 1ukz s PRO 131 Cb -0.13 -2.28 0.46 0.00 0.02 0.00 0.00 34.50 32.57 1ukz s PRO 131 CO -0.03 -0.86 1.79 1.49 -0.33 0.00 0.00 177.00 179.06 1ukz h GLU 132 N 1.67 0.59 -0.07 5.54 4.81 -2.00 -2.16 114.58 122.96 1ukz h GLU 132 Ca -0.50 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 58.52 1ukz h GLU 132 Cb 1.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1ukz h GLU 132 CO 0.58 0.68 -0.15 0.38 -0.73 0.00 0.00 179.01 179.77 1ukz h ASP 133 N 0.55 0.10 -0.05 1.04 2.03 -1.99 0.14 116.42 118.24 1ukz h ASP 133 Ca 0.10 -0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.33 1ukz h ASP 133 Cb 0.48 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1ukz h ASP 133 CO 0.03 0.27 -0.17 0.40 -1.03 0.00 0.00 179.24 178.73 1ukz h ILE 134 N 0.10 1.46 -0.94 4.15 1.08 -1.80 -2.36 117.51 119.20 1ukz h ILE 134 Ca 0.02 -1.61 0.04 0.00 -0.39 0.00 0.00 64.86 62.93 1ukz h ILE 134 Cb 0.34 2.39 -0.06 0.00 -3.07 0.00 0.00 36.82 36.42 1ukz h ILE 134 CO 0.02 0.44 0.61 0.24 -0.69 0.00 0.00 178.15 178.77 1ukz h MET 135 N -0.35 1.13 -0.31 2.37 2.86 -1.06 -2.17 114.93 117.39 1ukz h MET 135 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1ukz h MET 135 Cb 0.81 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1ukz h MET 135 CO 0.04 0.75 0.15 1.25 1.06 0.00 0.00 176.91 180.15 1ukz h LEU 136 N 1.16 0.41 -0.90 1.22 5.85 -0.67 -1.45 115.31 120.92 1ukz h LEU 136 Ca 0.38 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1ukz h LEU 136 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1ukz h LEU 136 CO -0.13 0.42 0.02 1.05 -0.34 0.00 0.00 178.44 179.46 1ukz h GLU 137 N 0.36 0.83 -0.49 1.25 4.11 -1.18 -1.82 114.58 117.65 1ukz h GLU 137 Ca 0.11 -0.22 -0.09 0.00 0.07 0.00 0.00 59.36 59.23 1ukz h GLU 137 Cb 0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1ukz h GLU 137 CO -0.01 0.82 -0.06 0.00 0.07 0.00 0.00 179.01 179.83 1ukz h ARG 138 N 0.78 0.85 -0.17 1.06 3.08 -1.13 -1.98 114.38 116.87 1ukz h ARG 138 Ca 0.15 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1ukz h ARG 138 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1ukz h ARG 138 CO 0.02 0.89 -0.59 -0.07 -1.07 0.00 0.00 179.97 179.15 1ukz h LEU 139 N 0.78 0.63 -0.50 3.04 3.38 -1.04 0.64 115.31 122.24 1ukz h LEU 139 Ca 0.14 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1ukz h LEU 139 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ukz h LEU 139 CO 0.03 1.08 -0.24 -0.07 0.09 0.00 0.00 178.44 179.33 1ukz h LEU 140 N 0.42 1.01 -0.45 1.67 3.38 -1.26 0.27 115.31 120.34 1ukz h LEU 140 Ca -0.00 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1ukz h LEU 140 Cb 1.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1ukz h LEU 140 CO 0.11 1.19 0.09 -0.33 0.09 0.00 0.00 178.44 179.59 1ukz h GLU 141 N 0.84 0.74 -0.50 1.13 4.39 -1.27 -2.55 114.58 117.36 1ukz h GLU 141 Ca 0.10 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1ukz h GLU 141 Cb 0.81 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1ukz h GLU 141 CO 0.07 0.75 0.04 -0.09 -1.16 0.00 0.00 179.01 178.62 1ukz h ARG 142 N 0.61 0.81 -0.76 2.33 2.43 -0.63 -0.73 114.38 118.44 1ukz h ARG 142 Ca 0.14 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ukz h ARG 142 Cb 0.36 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1ukz h ARG 142 CO 0.01 0.79 0.49 0.78 -1.51 0.00 0.00 179.97 180.53 1ukz h GLY 143 N 0.97 1.09 0.79 2.80 0.00 -0.19 0.17 103.07 108.70 1ukz h GLY 143 Ca 0.15 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1ukz h GLY 143 CO 0.01 0.34 -0.21 0.50 0.00 0.00 0.00 176.54 177.19 1ukz h LYS 144 N 0.98 0.44 0.82 4.80 1.57 -1.08 0.11 116.57 124.20 1ukz h LYS 144 Ca 0.30 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1ukz h LYS 144 Cb -0.04 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ukz h LYS 144 CO -0.09 0.83 -0.39 1.15 -0.57 0.00 0.00 179.45 180.37 1ukz h THR 145 N 0.08 0.00 0.00 -0.16 2.02 -0.86 -3.38 112.91 110.61 1ukz h THR 145 Ca 0.02 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1ukz h THR 145 Cb 0.77 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1ukz h THR 145 CO 0.05 0.00 -1.66 -1.20 0.37 0.00 0.00 175.52 173.08 1ukz n SER 146 N -5.41 0.39 -1.57 4.18 7.64 0.56 -5.02 113.62 114.40 1ukz n SER 146 Ca -0.14 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 1ukz n SER 146 Cb 0.43 1.13 0.01 0.00 -1.01 0.00 0.00 64.21 64.77 1ukz n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukz n GLY 147 N 1.32 -0.04 3.76 0.23 0.00 0.03 -4.98 105.19 105.50 1ukz n GLY 147 Ca -0.07 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1ukz n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ukz s ARG 148 N -4.90 4.32 0.21 1.61 3.52 -1.26 -4.92 118.95 117.52 1ukz s ARG 148 Ca 0.09 2.24 -0.11 0.00 -0.13 0.00 0.00 55.73 57.83 1ukz s ARG 148 Cb -0.04 -3.09 0.27 0.00 -1.56 0.00 0.00 34.95 30.53 1ukz s ARG 148 CO 0.11 -0.29 1.69 0.66 -0.81 0.00 0.00 175.30 176.66 1ukz h SER 149 N 4.12 -0.10 0.00 -2.12 4.64 -1.97 -1.93 113.55 116.18 1ukz h SER 149 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1ukz h SER 149 Cb 1.22 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1ukz h SER 149 CO 0.71 -0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1ukz n ASP 150 N -5.18 0.00 -2.31 4.97 5.75 -1.26 -4.18 116.55 114.33 1ukz n ASP 150 Ca 0.08 -1.20 -0.23 0.00 -0.01 0.00 0.00 54.79 53.43 1ukz n ASP 150 Cb 0.32 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.36 1ukz n ASP 150 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ukz n ASP 151 N -0.89 6.36 -4.43 -1.12 8.00 -0.73 -3.93 116.55 119.81 1ukz n ASP 151 Ca 0.19 -3.11 -0.29 0.00 0.71 0.00 0.00 54.79 52.29 1ukz n ASP 151 Cb 0.08 -1.21 -0.12 0.00 -0.02 0.00 0.00 41.12 39.85 1ukz n ASP 151 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ukz s ASN 152 N 0.47 3.51 0.33 -2.24 2.20 -1.26 -4.41 114.94 113.53 1ukz s ASN 152 Ca 0.53 -0.72 0.07 0.00 -0.94 0.00 0.00 52.86 51.80 1ukz s ASN 152 Cb 0.35 -0.32 0.75 0.00 -2.00 0.00 0.00 41.25 40.03 1ukz s ASN 152 CO -0.15 0.16 1.83 -0.29 -2.94 0.00 0.00 177.10 175.71 1ukz h ILE 153 N 3.63 0.80 -0.08 0.54 6.09 -1.97 0.74 117.51 127.25 1ukz h ILE 153 Ca -0.50 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 1ukz h ILE 153 Cb 1.18 -0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 1ukz h ILE 153 CO 0.43 0.14 0.03 -0.08 -3.07 0.00 0.00 178.15 175.60 1ukz h GLU 154 N 0.77 0.12 -0.08 2.19 4.81 -1.96 -1.46 114.58 118.96 1ukz h GLU 154 Ca 0.51 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.58 1ukz h GLU 154 Cb 0.77 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1ukz h GLU 154 CO -0.28 0.26 -0.54 0.77 -0.73 0.00 0.00 179.01 178.50 1ukz h SER 155 N -0.05 0.27 -0.60 1.04 0.02 -1.67 -3.01 113.55 109.55 1ukz h SER 155 Ca 0.03 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1ukz h SER 155 Cb 0.19 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1ukz h SER 155 CO -0.00 0.75 0.27 0.40 -1.14 0.00 0.00 176.83 177.12 1ukz h ILE 156 N 0.19 1.22 -0.66 3.27 2.04 -0.66 0.30 117.51 123.21 1ukz h ILE 156 Ca 0.00 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1ukz h ILE 156 Cb 1.01 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1ukz h ILE 156 CO 0.08 0.25 0.39 0.11 0.00 0.00 0.00 178.15 178.98 1ukz h LYS 157 N 0.83 0.90 -0.83 2.37 1.57 -1.19 -0.59 116.57 119.62 1ukz h LYS 157 Ca 0.20 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1ukz h LYS 157 Cb 0.14 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1ukz h LYS 157 CO -0.02 0.65 0.37 0.87 -0.57 0.00 0.00 179.45 180.76 1ukz h LYS 158 N 0.90 1.22 -0.58 3.15 1.57 -1.33 -1.32 116.57 120.17 1ukz h LYS 158 Ca 0.23 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1ukz h LYS 158 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1ukz h LYS 158 CO -0.04 0.96 0.14 0.00 -0.57 0.00 0.00 179.45 179.93 1ukz h ARG 159 N 1.20 0.93 -0.55 3.15 3.08 -0.43 -1.17 114.38 120.58 1ukz h ARG 159 Ca 0.28 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1ukz h ARG 159 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1ukz h ARG 159 CO -0.03 0.86 0.22 0.74 -1.07 0.00 0.00 179.97 180.69 1ukz h PHE 160 N 0.83 0.84 -0.23 3.04 0.04 -0.90 0.03 116.94 120.60 1ukz h PHE 160 Ca 0.18 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1ukz h PHE 160 Cb 0.35 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1ukz h PHE 160 CO 0.02 0.69 0.14 -0.91 -0.60 0.00 0.00 178.31 177.64 1ukz h ASN 161 N 0.76 0.28 -0.64 2.17 2.35 -1.05 -0.86 115.58 118.59 1ukz h ASN 161 Ca 0.18 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1ukz h ASN 161 Cb 0.20 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1ukz h ASN 161 CO -0.02 0.26 0.31 0.74 -1.65 0.00 0.00 177.43 177.07 1ukz h THR 162 N 0.28 1.22 -0.14 2.81 2.02 -1.11 0.28 112.91 118.26 1ukz h THR 162 Ca 0.08 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1ukz h THR 162 Cb 0.03 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1ukz h THR 162 CO -0.01 0.25 -0.04 0.15 0.37 0.00 0.00 175.52 176.24 1ukz h PHE 163 N 0.88 -0.08 -0.02 3.16 3.57 -0.52 0.43 116.94 124.36 1ukz h PHE 163 Ca 0.22 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1ukz h PHE 163 Cb 0.11 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1ukz h PHE 163 CO 0.00 -0.06 -0.00 0.87 -2.23 0.00 0.00 178.31 176.88 1ukz h LYS 164 N -0.00 0.04 -0.14 1.11 6.56 -0.89 0.18 116.57 123.42 1ukz h LYS 164 Ca 0.07 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.51 1ukz h LYS 164 Cb 0.11 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1ukz h LYS 164 CO -0.15 0.39 -0.43 0.93 -2.06 0.00 0.00 179.45 178.13 1ukz h GLU 165 N -0.31 0.54 0.00 3.15 5.08 -0.84 -3.33 114.58 118.87 1ukz h GLU 165 Ca 0.01 -0.39 -0.42 0.00 -1.00 0.00 0.00 59.36 57.55 1ukz h GLU 165 Cb 0.37 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1ukz h GLU 165 CO 0.00 1.01 -2.49 2.41 -1.00 0.00 0.00 179.01 178.94 1ukz n THR 166 N -4.27 1.48 0.12 1.13 -1.04 0.15 -4.58 114.28 107.27 1ukz n THR 166 Ca -0.07 -0.46 -0.23 0.00 -2.04 0.00 0.00 64.05 61.25 1ukz n THR 166 Cb 0.55 -1.66 -0.15 0.00 -1.82 0.00 0.00 70.33 67.26 1ukz n THR 166 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ukz h SER 167 N -0.53 0.83 -1.00 8.00 0.02 -0.84 -3.33 113.55 116.70 1ukz h SER 167 Ca -0.64 -0.84 0.12 0.00 -0.84 0.00 0.00 61.79 59.59 1ukz h SER 167 Cb 1.73 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.92 1ukz h SER 167 CO -0.27 1.65 0.63 0.24 -1.14 0.00 0.00 176.83 177.94 1ukz h MET 168 N 0.19 0.97 -0.27 3.45 2.86 -0.80 -0.45 114.93 120.89 1ukz h MET 168 Ca -0.22 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1ukz h MET 168 Cb 2.06 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 1ukz h MET 168 CO 0.26 0.64 0.25 -1.35 1.06 0.00 0.00 176.91 177.77 1ukz h PRO 169 N 1.00 0.00 -0.19 -0.22 0.11 -1.79 0.99 132.00 131.90 1ukz h PRO 169 Ca 0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.46 1ukz h PRO 169 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1ukz h PRO 169 CO -0.26 0.00 -0.47 0.28 -0.21 0.00 0.00 178.00 177.34 1ukz h VAL 170 N 0.00 1.32 -0.39 3.15 2.07 -1.25 -0.84 116.25 120.30 1ukz h VAL 170 Ca 0.13 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.88 1ukz h VAL 170 Cb 0.63 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1ukz h VAL 170 CO -0.00 0.52 -0.13 0.40 0.02 0.00 0.00 177.57 178.38 1ukz h ILE 171 N 0.40 1.28 -0.80 4.57 1.08 -0.82 -1.92 117.51 121.31 1ukz h ILE 171 Ca 0.02 -1.23 -0.03 0.00 -0.39 0.00 0.00 64.86 63.24 1ukz h ILE 171 Cb 0.97 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1ukz h ILE 171 CO 0.09 0.41 0.40 -0.33 -0.69 0.00 0.00 178.15 178.02 1ukz h GLU 172 N 0.59 1.13 0.24 2.37 5.08 -1.16 0.09 114.58 122.93 1ukz h GLU 172 Ca 0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ukz h GLU 172 Cb 0.66 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ukz h GLU 172 CO 0.05 0.86 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.88 1ukz h TYR 173 N 1.13 -0.30 0.00 4.33 3.20 -0.85 -2.52 116.97 121.96 1ukz h TYR 173 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1ukz h TYR 173 Cb 0.09 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1ukz h TYR 173 CO 0.01 -0.15 -0.29 0.74 -1.64 0.00 0.00 178.16 176.84 1ukz h PHE 174 N -0.38 0.00 -0.36 -3.82 0.04 -1.17 -2.64 116.94 108.61 1ukz h PHE 174 Ca -0.03 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 1ukz h PHE 174 Cb 0.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1ukz h PHE 174 CO -0.04 0.29 -0.07 1.49 -0.60 0.00 0.00 178.31 179.37 1ukz h GLU 175 N 0.00 0.60 0.00 1.51 4.81 -0.73 -1.16 114.58 119.61 1ukz h GLU 175 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ukz h GLU 175 Cb 0.69 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1ukz h GLU 175 CO 0.04 0.67 0.00 1.79 -0.73 0.00 0.00 179.01 180.78 1ukz h THR 176 N 0.56 0.00 -0.63 0.32 1.35 -1.07 -0.20 112.91 113.23 1ukz h THR 176 Ca 0.11 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1ukz h THR 176 Cb 0.47 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1ukz h THR 176 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 1ukz n LYS 177 N -2.77 3.36 -2.48 4.72 5.02 -0.49 -4.95 118.16 120.57 1ukz n LYS 177 Ca 0.01 -2.75 -0.16 0.00 -2.02 0.00 0.00 58.31 53.38 1ukz n LYS 177 Cb 0.25 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1ukz n LYS 177 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ukz n SER 178 N 1.14 -4.75 -1.02 4.39 7.64 -0.09 -4.87 113.62 116.06 1ukz n SER 178 Ca 0.24 0.08 0.09 0.00 1.01 0.00 0.00 58.87 60.29 1ukz n SER 178 Cb 0.78 -3.99 0.24 0.00 -1.01 0.00 0.00 64.21 60.23 1ukz n SER 178 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ukz n LYS 179 N -2.97 2.72 -3.97 1.43 5.02 -0.91 -4.95 118.16 114.53 1ukz n LYS 179 Ca -0.18 -2.35 -0.35 0.00 -2.02 0.00 0.00 58.31 53.42 1ukz n LYS 179 Cb 0.64 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 34.12 1ukz n LYS 179 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ukz s VAL 180 N -1.03 4.89 -0.29 -0.18 1.01 -1.26 -0.27 120.40 123.27 1ukz s VAL 180 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1ukz s VAL 180 Cb 0.19 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1ukz s VAL 180 CO 0.25 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1ukz s VAL 181 N 0.32 2.84 0.07 2.92 1.01 0.17 -4.97 120.40 122.77 1ukz s VAL 181 Ca 0.04 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1ukz s VAL 181 Cb -0.12 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 1ukz s VAL 181 CO -0.00 -0.05 0.64 -0.13 0.00 0.00 0.00 175.10 175.56 1ukz s ARG 182 N 1.24 4.34 -0.04 2.72 0.52 -1.26 -0.91 118.95 125.57 1ukz s ARG 182 Ca -0.05 0.87 0.02 0.00 -0.52 0.00 0.00 55.73 56.05 1ukz s ARG 182 Cb -0.19 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.00 1ukz s ARG 182 CO -0.02 0.52 -0.10 0.08 0.02 0.00 0.00 175.30 175.80 1ukz s VAL 183 N -0.77 0.88 0.05 3.52 1.01 0.05 -4.94 120.40 120.21 1ukz s VAL 183 Ca 0.32 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1ukz s VAL 183 Cb -0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1ukz s VAL 183 CO 0.21 0.28 1.09 -0.13 0.00 0.00 0.00 175.10 176.55 1ukz s ARG 184 N 0.34 4.51 0.15 2.72 0.52 -1.26 -0.51 118.95 125.41 1ukz s ARG 184 Ca -0.06 1.61 0.13 0.00 -0.52 0.00 0.00 55.73 56.89 1ukz s ARG 184 Cb -0.11 -3.39 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 1ukz s ARG 184 CO 0.01 -0.12 1.17 0.00 0.02 0.00 0.00 175.30 176.38 1ukz n ASP 186 N -3.15 5.27 -3.48 0.00 5.75 -1.26 -4.81 116.55 114.86 1ukz n ASP 186 Ca -0.03 -2.38 -0.18 0.00 -0.01 0.00 0.00 54.79 52.18 1ukz n ASP 186 Cb 0.85 -1.27 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 1ukz n ASP 186 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1ukz s ARG 187 N 1.58 1.68 0.85 0.11 0.52 -1.26 -5.11 118.95 117.32 1ukz s ARG 187 Ca 0.59 -1.95 -0.11 0.00 -0.52 0.00 0.00 55.73 53.74 1ukz s ARG 187 Cb 0.25 0.32 0.10 0.00 0.52 0.00 0.00 34.95 36.14 1ukz s ARG 187 CO -0.01 -0.62 1.11 -1.54 0.02 0.00 0.00 175.30 174.26 1ukz s SER 188 N -3.33 3.70 0.22 0.23 1.04 -1.26 -4.71 113.70 109.58 1ukz s SER 188 Ca 0.40 1.90 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 1ukz s SER 188 Cb 0.03 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 64.02 1ukz s SER 188 CO 0.25 -2.56 1.72 0.58 0.98 0.00 0.00 173.24 174.21 1ukz h VAL 189 N -1.49 0.67 -0.52 5.02 2.07 -1.99 0.11 116.25 120.11 1ukz h VAL 189 Ca -0.45 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 1ukz h VAL 189 Cb 1.25 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ukz h VAL 189 CO 0.48 0.07 -0.16 -0.33 0.02 0.00 0.00 177.57 177.65 1ukz h GLU 190 N 0.36 1.02 -0.35 1.57 4.39 -1.99 -0.30 114.58 119.29 1ukz h GLU 190 Ca 0.36 -0.41 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1ukz h GLU 190 Cb 0.52 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ukz h GLU 190 CO -0.39 1.10 -0.37 -0.44 -1.16 0.00 0.00 179.01 177.75 1ukz h ASP 191 N 0.89 0.86 -0.55 1.42 3.32 -1.73 -2.15 116.42 118.47 1ukz h ASP 191 Ca 0.13 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1ukz h ASP 191 Cb 0.74 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1ukz h ASP 191 CO 0.06 1.13 0.19 0.58 -1.72 0.00 0.00 179.24 179.48 1ukz h VAL 192 N 0.67 1.23 -0.74 -1.35 2.07 -0.63 -2.57 116.25 114.93 1ukz h VAL 192 Ca 0.06 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1ukz h VAL 192 Cb 0.92 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ukz h VAL 192 CO 0.08 0.29 0.49 0.22 0.02 0.00 0.00 177.57 178.67 1ukz h TYR 193 N 0.76 0.86 -0.67 1.57 3.20 -0.86 -0.22 116.97 121.61 1ukz h TYR 193 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1ukz h TYR 193 Cb 0.25 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1ukz h TYR 193 CO 0.01 0.49 0.43 0.87 -1.64 0.00 0.00 178.16 178.33 1ukz h LYS 194 N 0.88 0.89 -0.28 1.82 1.79 -0.98 0.13 116.57 120.82 1ukz h LYS 194 Ca 0.30 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.58 1ukz h LYS 194 Cb 0.08 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1ukz h LYS 194 CO -0.09 0.60 -0.34 -0.44 -1.08 0.00 0.00 179.45 178.10 1ukz h ASP 195 N 0.91 0.65 -0.34 0.86 3.32 -1.12 -1.29 116.42 119.41 1ukz h ASP 195 Ca 0.24 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ukz h ASP 195 Cb -0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1ukz h ASP 195 CO -0.05 0.93 0.12 0.58 -1.72 0.00 0.00 179.24 179.11 1ukz h VAL 196 N 0.52 1.19 -0.53 -1.35 2.07 -0.39 -0.65 116.25 117.12 1ukz h VAL 196 Ca 0.06 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1ukz h VAL 196 Cb 0.83 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ukz h VAL 196 CO 0.07 0.21 0.29 1.56 0.02 0.00 0.00 177.57 179.72 1ukz h GLN 197 N 0.39 0.75 -0.51 1.57 4.20 -0.58 -0.82 115.11 120.11 1ukz h GLN 197 Ca 0.11 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ukz h GLN 197 Cb 0.21 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1ukz h GLN 197 CO -0.01 0.58 0.33 0.22 -0.67 0.00 0.00 178.83 179.28 1ukz h ASP 198 N 0.71 0.55 -0.12 1.46 3.58 -1.04 0.37 116.42 121.93 1ukz h ASP 198 Ca 0.19 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1ukz h ASP 198 Cb 0.05 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1ukz h ASP 198 CO -0.03 0.40 0.08 0.00 -2.88 0.00 0.00 179.24 176.81 1ukz h ALA 199 N 1.20 0.16 -0.75 -0.78 0.00 -0.70 -0.85 119.26 117.52 1ukz h ALA 199 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ukz h ALA 199 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ukz h ALA 199 CO -0.06 -0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.04 1ukz h ILE 200 N 0.17 1.24 -0.54 0.00 5.03 -0.76 0.19 117.51 122.83 1ukz h ILE 200 Ca 0.05 -0.63 -0.07 0.00 -0.12 0.00 0.00 64.86 64.09 1ukz h ILE 200 Cb -0.02 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 34.02 1ukz h ILE 200 CO -0.01 0.27 0.07 0.03 -0.68 0.00 0.00 178.15 177.83 1ukz h ARG 201 N 1.05 0.86 0.00 2.37 3.08 -0.64 -2.09 114.38 119.02 1ukz h ARG 201 Ca 0.26 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 1ukz h ARG 201 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ukz h ARG 201 CO -0.04 0.82 -0.86 -0.44 -1.07 0.00 0.00 179.97 178.39 1ukz h ASP 202 N 0.82 0.02 0.40 7.04 3.32 -0.77 -3.31 116.42 123.93 1ukz h ASP 202 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ukz h ASP 202 Cb 0.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ukz h ASP 202 CO 0.01 0.87 -0.22 -1.20 -1.72 0.00 0.00 179.24 176.98 1ukz n SER 203 N -3.53 0.61 -0.52 6.45 7.64 0.62 -5.09 113.62 119.79 1ukz n SER 203 Ca -0.01 -0.52 0.14 0.00 1.01 0.00 0.00 58.87 59.49 1ukz n SER 203 Cb 0.82 0.01 0.49 0.00 -1.01 0.00 0.00 64.21 64.51 1ukz n SER 203 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21