#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uky h ALA 10 N 0.00 1.00 -2.91 3.55 0.00 0.43 -3.46 119.26 117.88 1uky h ALA 10 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1uky h ALA 10 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 1uky h ALA 10 CO 0.00 0.00 -0.70 -0.06 0.00 0.00 0.00 179.25 178.49 1uky s PHE 11 N -3.77 0.37 0.27 0.00 0.08 0.24 -5.04 117.98 110.15 1uky s PHE 11 Ca -0.00 -0.60 -0.23 0.00 0.12 0.00 0.00 56.93 56.22 1uky s PHE 11 Cb 0.10 -0.26 -0.09 0.00 -0.57 0.00 0.00 43.02 42.20 1uky s PHE 11 CO 0.50 -0.19 0.83 0.45 -0.10 0.00 0.00 175.22 176.71 1uky s SER 12 N -1.69 7.19 0.64 1.36 0.15 -1.26 -4.60 113.70 115.50 1uky s SER 12 Ca -0.12 1.63 0.20 0.00 0.70 0.00 0.00 55.95 58.36 1uky s SER 12 Cb -0.08 -2.50 0.99 0.00 -1.71 0.00 0.00 66.02 62.73 1uky s SER 12 CO -0.02 -0.02 1.53 1.55 1.20 0.00 0.00 173.24 177.48 1uky h PRO 13 N 3.28 0.00 0.00 5.44 0.13 -1.86 -2.42 132.00 136.56 1uky h PRO 13 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uky h PRO 13 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uky h PRO 13 CO 0.65 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 1uky n ASP 14 N -3.01 0.00 -0.24 1.44 8.00 -1.26 -3.82 116.55 117.66 1uky n ASP 14 Ca 0.06 0.25 -0.04 0.00 0.71 0.00 0.00 54.79 55.77 1uky n ASP 14 Cb 0.84 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 1uky n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uky n GLN 15 N -0.31 -0.22 -4.04 -1.24 6.02 -0.95 -4.03 117.38 112.61 1uky n GLN 15 Ca 0.00 0.90 -0.31 0.00 -0.01 0.00 0.00 57.00 57.57 1uky n GLN 15 Cb 0.00 -1.33 -0.16 0.00 1.02 0.00 0.00 30.24 29.78 1uky n GLN 15 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1uky s VAL 16 N -5.39 1.88 -0.26 5.09 1.01 -0.95 -4.57 120.40 117.20 1uky s VAL 16 Ca -0.07 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 1uky s VAL 16 Cb 0.09 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1uky s VAL 16 CO 0.39 0.15 0.41 -0.44 0.00 0.00 0.00 175.10 175.61 1uky s SER 17 N 1.28 6.31 -0.11 3.32 0.01 0.19 -4.27 113.70 120.43 1uky s SER 17 Ca -0.03 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1uky s SER 17 Cb -0.17 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1uky s SER 17 CO -0.08 -0.21 -0.21 -0.69 0.41 0.00 0.00 173.24 172.46 1uky s VAL 18 N 2.10 2.30 -0.18 3.43 1.01 -1.26 -0.73 120.40 127.07 1uky s VAL 18 Ca 0.17 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1uky s VAL 18 Cb -0.16 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1uky s VAL 18 CO 0.10 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 175.00 1uky s ILE 19 N 0.41 2.87 0.04 2.22 1.01 -0.69 -0.59 121.20 126.47 1uky s ILE 19 Ca -0.15 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 1uky s ILE 19 Cb -0.17 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1uky s ILE 19 CO 0.07 0.49 0.90 -0.36 0.00 0.00 0.00 174.94 176.04 1uky s PHE 20 N 1.03 3.72 -0.33 3.97 0.08 -0.85 -1.31 117.98 124.29 1uky s PHE 20 Ca -0.01 1.64 -0.03 0.00 0.12 0.00 0.00 56.93 58.65 1uky s PHE 20 Cb -0.15 -3.00 0.06 0.00 -0.57 0.00 0.00 43.02 39.37 1uky s PHE 20 CO -0.02 0.14 0.07 0.08 -0.10 0.00 0.00 175.22 175.39 1uky s VAL 21 N 0.38 3.25 0.37 -0.44 1.01 0.12 -0.98 120.40 124.11 1uky s VAL 21 Ca 0.46 -1.46 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1uky s VAL 21 Cb -0.21 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1uky s VAL 21 CO 0.27 -0.25 0.11 -0.76 0.00 0.00 0.00 175.10 174.47 1uky s LEU 22 N 1.27 3.10 0.00 3.92 1.43 0.32 -1.50 118.68 127.22 1uky s LEU 22 Ca -0.02 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1uky s LEU 22 Cb -0.20 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1uky s LEU 22 CO -0.01 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1uky n GLY 23 N -1.11 3.69 3.78 -3.19 0.00 -1.26 -1.22 105.19 105.87 1uky n GLY 23 Ca -0.03 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1uky n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uky s GLY 24 N 0.00 1.64 0.18 -0.02 0.00 -1.26 -4.91 107.32 102.94 1uky s GLY 24 Ca 0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 44.72 43.57 1uky s GLY 24 CO 0.00 -0.13 1.60 2.56 0.00 0.00 0.00 173.10 177.14 1uky s PRO 25 N -5.49 4.19 0.00 2.90 0.04 -1.26 -2.47 135.00 132.91 1uky s PRO 25 Ca 0.69 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.15 1uky s PRO 25 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1uky s PRO 25 CO 0.54 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1uky n GLY 26 N 3.77 0.51 0.08 0.56 0.00 -1.26 -4.79 105.19 104.07 1uky n GLY 26 Ca 0.14 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1uky n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uky n ALA 27 N 0.69 2.49 0.00 4.61 0.00 -1.03 -4.65 120.51 122.61 1uky n ALA 27 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1uky n ALA 27 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1uky n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uky n GLY 28 N 1.34 1.40 0.08 0.00 0.00 -1.26 -4.76 105.19 101.99 1uky n GLY 28 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1uky n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uky h LYS 29 N 0.83 -0.09 -0.26 1.61 1.57 -1.91 -1.15 116.57 117.17 1uky h LYS 29 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1uky h LYS 29 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1uky h LYS 29 CO 0.00 0.07 0.11 0.78 -0.57 0.00 0.00 179.45 179.84 1uky h GLY 30 N -0.24 0.33 0.78 3.86 0.00 -1.98 -1.70 103.07 104.12 1uky h GLY 30 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1uky h GLY 30 CO 0.02 0.05 0.18 -0.84 0.00 0.00 0.00 176.54 175.95 1uky h THR 31 N 0.24 0.96 -0.18 4.70 2.02 -1.93 -2.61 112.91 116.10 1uky h THR 31 Ca 0.11 -0.13 -0.15 0.00 0.77 0.00 0.00 66.41 67.01 1uky h THR 31 Cb 0.06 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1uky h THR 31 CO -0.10 0.07 -0.52 1.56 0.37 0.00 0.00 175.52 176.91 1uky h GLN 32 N 0.37 0.51 -0.58 6.66 1.08 -0.89 -2.94 115.11 119.32 1uky h GLN 32 Ca 0.17 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 1uky h GLN 32 Cb 0.09 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1uky h GLN 32 CO -0.13 0.91 -0.01 0.00 -0.95 0.00 0.00 178.83 178.65 1uky h GLU 34 N 0.93 0.00 -0.04 0.00 4.39 -1.43 -1.18 114.58 117.24 1uky h GLU 34 Ca 0.17 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1uky h GLU 34 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1uky h GLU 34 CO 0.03 0.38 -0.24 0.87 -1.16 0.00 0.00 179.01 178.89 1uky h LYS 35 N 0.00 0.24 -0.97 2.33 1.57 -1.27 -3.29 116.57 115.18 1uky h LYS 35 Ca -0.00 -0.20 0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1uky h LYS 35 Cb 0.69 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 1uky h LYS 35 CO 0.05 0.86 0.62 -0.07 -0.57 0.00 0.00 179.45 180.33 1uky h LEU 36 N -0.31 0.86 0.00 2.94 3.38 -0.75 0.26 115.31 121.70 1uky h LEU 36 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uky h LEU 36 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uky h LEU 36 CO 0.05 0.46 0.00 1.33 0.09 0.00 0.00 178.44 180.37 1uky n VAL 37 N -4.60 1.06 0.10 1.22 0.24 -0.47 -1.12 118.33 114.76 1uky n VAL 37 Ca 0.18 0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 62.59 1uky n VAL 37 Cb 0.38 -1.04 -0.13 0.00 -1.47 0.00 0.00 33.84 31.57 1uky n VAL 37 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1uky h LYS 38 N 0.00 0.30 0.00 7.34 1.57 -1.05 -3.36 116.57 121.37 1uky h LYS 38 Ca 0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1uky h LYS 38 Cb 0.21 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1uky h LYS 38 CO 0.00 1.23 -1.59 -0.25 -0.57 0.00 0.00 179.45 178.27 1uky n ASP 39 N -3.56 0.35 -4.43 0.86 8.00 -0.55 -4.99 116.55 112.23 1uky n ASP 39 Ca -0.09 -0.21 -0.21 0.00 0.71 0.00 0.00 54.79 54.99 1uky n ASP 39 Cb 1.01 1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 43.53 1uky n ASP 39 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uky s TYR 40 N -3.36 1.92 -1.04 1.24 1.51 -0.28 -5.04 117.35 112.30 1uky s TYR 40 Ca -0.03 -0.88 0.07 0.00 -1.01 0.00 0.00 57.07 55.22 1uky s TYR 40 Cb 0.14 -1.20 0.32 0.00 -0.11 0.00 0.00 41.96 41.11 1uky s TYR 40 CO 0.88 0.08 1.08 -1.13 -1.11 0.00 0.00 175.55 175.34 1uky n SER 41 N -0.63 2.62 -4.84 2.29 3.41 -1.26 -4.60 113.62 110.61 1uky n SER 41 Ca -0.03 -2.28 -0.33 0.00 -0.26 0.00 0.00 58.87 55.97 1uky n SER 41 Cb 0.65 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 1uky n SER 41 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uky s PHE 42 N -1.69 3.35 -0.13 7.33 0.08 -1.26 -4.72 117.98 120.93 1uky s PHE 42 Ca 0.22 1.38 -0.06 0.00 0.12 0.00 0.00 56.93 58.59 1uky s PHE 42 Cb 0.16 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1uky s PHE 42 CO 0.09 0.01 0.10 0.08 -0.10 0.00 0.00 175.22 175.39 1uky s VAL 43 N -2.07 5.14 -0.24 -0.44 1.01 -0.35 -4.71 120.40 118.73 1uky s VAL 43 Ca 0.57 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 1uky s VAL 43 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1uky s VAL 43 CO 0.16 0.58 0.14 -2.28 0.00 0.00 0.00 175.10 173.69 1uky s HIS 44 N -0.71 3.23 -0.19 5.22 2.46 -1.26 0.11 115.29 124.15 1uky s HIS 44 Ca 0.13 0.05 -0.01 0.00 0.47 0.00 0.00 55.06 55.70 1uky s HIS 44 Cb -0.12 -2.26 0.01 0.00 -0.13 0.00 0.00 32.58 30.08 1uky s HIS 44 CO 0.03 -0.06 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.58 1uky s LEU 45 N 1.25 2.41 -0.21 8.88 1.02 -0.40 -4.96 118.68 126.67 1uky s LEU 45 Ca 0.06 -0.55 -0.09 0.00 0.02 0.00 0.00 54.13 53.57 1uky s LEU 45 Cb -0.14 -1.57 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 1uky s LEU 45 CO 0.05 -0.00 0.12 -0.55 0.02 0.00 0.00 176.35 175.99 1uky s SER 46 N 1.33 5.95 0.16 2.29 0.15 -1.26 -0.87 113.70 121.45 1uky s SER 46 Ca 0.05 0.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.71 1uky s SER 46 Cb -0.14 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1uky s SER 46 CO -0.09 0.12 1.57 0.00 1.20 0.00 0.00 173.24 176.04 1uky h ALA 47 N 7.11 0.70 0.00 5.45 0.00 -1.63 -1.82 119.26 129.07 1uky h ALA 47 Ca -0.39 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1uky h ALA 47 Cb 1.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1uky h ALA 47 CO 0.69 0.63 -0.36 0.78 0.00 0.00 0.00 179.25 181.00 1uky h GLY 48 N 0.85 0.00 0.92 0.00 0.00 -1.89 -1.98 103.07 100.97 1uky h GLY 48 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 1uky h GLY 48 CO 0.05 0.00 -0.29 -0.55 0.00 0.00 0.00 176.54 175.75 1uky h ASP 49 N 0.00 0.67 -0.51 0.19 3.32 -1.87 -0.78 116.42 117.44 1uky h ASP 49 Ca -0.00 -0.50 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1uky h ASP 49 Cb 0.63 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1uky h ASP 49 CO 0.05 1.03 0.34 -0.07 -1.72 0.00 0.00 179.24 178.87 1uky h LEU 50 N 0.33 0.54 -0.06 1.55 3.38 -1.02 -1.54 115.31 118.49 1uky h LEU 50 Ca 0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1uky h LEU 50 Cb 0.87 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1uky h LEU 50 CO 0.07 0.39 -0.44 -0.07 0.09 0.00 0.00 178.44 178.47 1uky h LEU 51 N 0.64 0.49 -1.69 1.67 3.38 -1.26 -2.34 115.31 116.19 1uky h LEU 51 Ca 0.20 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1uky h LEU 51 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1uky h LEU 51 CO -0.05 1.10 -0.18 0.03 0.09 0.00 0.00 178.44 179.43 1uky h ARG 52 N -0.08 0.00 -0.03 1.13 3.08 -0.95 -1.30 114.38 116.23 1uky h ARG 52 Ca -0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 1uky h ARG 52 Cb 1.11 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.18 1uky h ARG 52 CO 0.09 0.18 -0.96 0.00 -1.07 0.00 0.00 179.97 178.21 1uky h ALA 53 N 1.82 0.16 -0.65 0.04 0.00 -1.27 -2.97 119.26 116.39 1uky h ALA 53 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1uky h ALA 53 Cb 0.42 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1uky h ALA 53 CO 0.02 0.66 0.10 1.49 0.00 0.00 0.00 179.25 181.53 1uky h GLU 54 N 0.40 1.07 -0.65 0.00 4.57 -1.12 -2.68 114.58 116.18 1uky h GLU 54 Ca -0.11 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 57.83 1uky h GLU 54 Cb 1.61 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.04 1uky h GLU 54 CO 0.19 0.99 0.43 0.37 -1.18 0.00 0.00 179.01 179.80 1uky h GLN 55 N 1.01 0.71 -0.18 1.92 4.15 -1.25 -2.10 115.11 119.36 1uky h GLN 55 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1uky h GLN 55 Cb 0.44 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1uky h GLN 55 CO 0.01 0.47 0.00 0.41 -1.93 0.00 0.00 178.83 177.79 1uky n GLY 56 N -1.46 1.12 3.69 2.39 0.00 -1.04 -4.49 105.19 105.39 1uky n GLY 56 Ca 0.08 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1uky n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uky s ARG 57 N -1.78 4.31 -0.07 1.61 3.52 -0.79 -4.93 118.95 120.81 1uky s ARG 57 Ca 0.34 1.83 -0.33 0.00 -0.13 0.00 0.00 55.73 57.45 1uky s ARG 57 Cb 0.21 -3.58 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 1uky s ARG 57 CO 0.31 -0.53 1.95 0.00 -0.81 0.00 0.00 175.30 176.22 1uky n ALA 58 N 5.37 1.16 -0.08 6.12 0.00 -1.26 -1.48 120.51 130.35 1uky n ALA 58 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1uky n ALA 58 Cb 0.45 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1uky n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uky n GLY 59 N 4.65 0.66 3.73 0.00 0.00 -1.26 -5.04 105.19 107.93 1uky n GLY 59 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1uky n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uky s SER 60 N -2.72 7.16 0.00 1.61 0.15 -0.55 -4.89 113.70 114.48 1uky s SER 60 Ca 0.00 2.13 0.29 0.00 0.70 0.00 0.00 55.95 59.08 1uky s SER 60 Cb 0.00 -2.60 1.35 0.00 -1.71 0.00 0.00 66.02 63.06 1uky s SER 60 CO 0.00 -0.32 1.96 0.00 1.20 0.00 0.00 173.24 176.08 1uky n GLN 61 N 2.69 0.35 -0.01 5.44 6.02 -1.26 -3.87 117.38 126.75 1uky n GLN 61 Ca 0.04 -0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1uky n GLN 61 Cb 0.46 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.30 1uky n GLN 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1uky n TYR 62 N -1.29 0.02 -0.09 1.08 4.01 -1.26 -4.73 117.16 114.90 1uky n TYR 62 Ca 0.12 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1uky n TYR 62 Cb 0.28 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 1uky n TYR 62 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1uky h GLY 63 N 3.84 -0.11 0.80 2.72 0.00 -1.79 -0.87 103.07 107.67 1uky h GLY 63 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1uky h GLY 63 CO 0.00 -0.20 -0.12 0.83 0.00 0.00 0.00 176.54 177.05 1uky h GLU 64 N -0.21 0.42 -0.22 4.80 4.39 -1.88 -1.76 114.58 120.12 1uky h GLU 64 Ca 0.17 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1uky h GLU 64 Cb 0.48 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1uky h GLU 64 CO -0.47 0.73 -0.09 1.25 -1.16 0.00 0.00 179.01 179.27 1uky h LEU 65 N 0.10 -0.32 -0.21 1.33 6.46 -1.75 -1.12 115.31 119.81 1uky h LEU 65 Ca 0.04 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1uky h LEU 65 Cb 0.62 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1uky h LEU 65 CO 0.03 -0.12 0.09 0.40 -0.62 0.00 0.00 178.44 178.22 1uky h ILE 66 N -0.06 1.17 -0.90 4.05 2.04 -1.17 -0.76 117.51 121.87 1uky h ILE 66 Ca 0.12 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 65.62 1uky h ILE 66 Cb 0.23 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 1uky h ILE 66 CO -0.26 0.16 0.50 0.50 0.00 0.00 0.00 178.15 179.05 1uky h LYS 67 N 0.19 0.70 0.17 2.37 3.64 -1.13 -1.28 116.57 121.23 1uky h LYS 67 Ca 0.07 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.11 1uky h LYS 67 Cb 0.18 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1uky h LYS 67 CO -0.01 0.46 -1.33 -0.91 -2.27 0.00 0.00 179.45 175.40 1uky h ASN 68 N 0.72 0.57 -0.14 4.20 4.21 -0.80 -2.49 115.58 121.85 1uky h ASN 68 Ca 0.48 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1uky h ASN 68 Cb 0.64 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1uky h ASN 68 CO -0.34 1.48 0.09 0.00 -1.29 0.00 0.00 177.43 177.37 1uky h ILE 70 N 0.18 0.89 -0.96 0.00 2.04 -1.31 0.22 117.51 118.56 1uky h ILE 70 Ca 0.05 -0.02 0.16 0.00 1.00 0.00 0.00 64.86 66.05 1uky h ILE 70 Cb -0.00 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 1uky h ILE 70 CO -0.01 0.01 0.57 0.50 0.00 0.00 0.00 178.15 179.22 1uky h LYS 71 N 0.05 0.77 -0.01 2.37 3.64 -1.45 -1.96 116.57 119.98 1uky h LYS 71 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1uky h LYS 71 Cb 0.09 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1uky h LYS 71 CO -0.13 0.51 -0.20 0.39 -2.27 0.00 0.00 179.45 177.75 1uky n GLU 72 N -4.75 1.23 -2.66 1.90 -0.58 -0.78 -4.61 120.64 110.38 1uky n GLU 72 Ca 0.20 -0.81 -0.15 0.00 -0.42 0.00 0.00 57.16 55.98 1uky n GLU 72 Cb 0.48 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1uky n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uky n GLY 73 N 1.31 -0.17 3.93 0.62 0.00 0.03 -4.66 105.19 106.24 1uky n GLY 73 Ca 0.14 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1uky n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uky s GLN 74 N -5.19 3.54 -0.37 1.61 -0.21 0.54 -4.51 119.66 115.07 1uky s GLN 74 Ca 0.16 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.03 1uky s GLN 74 Cb -0.07 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.28 1uky s GLN 74 CO 0.20 0.20 1.20 0.42 -2.12 0.00 0.00 175.29 175.18 1uky s ILE 75 N -2.19 4.25 0.28 1.08 -1.09 -1.26 -4.48 121.20 117.79 1uky s ILE 75 Ca 0.41 1.37 -0.30 0.00 -2.23 0.00 0.00 60.65 59.90 1uky s ILE 75 Cb -0.10 -4.37 -0.12 0.00 -1.58 0.00 0.00 42.46 36.29 1uky s ILE 75 CO 0.33 -0.66 1.50 0.52 -1.23 0.00 0.00 174.94 175.40 1uky n VAL 76 N 6.37 1.08 -1.53 2.92 0.31 -1.26 -4.87 118.33 121.35 1uky n VAL 76 Ca 0.13 -0.27 -0.48 0.00 -0.01 0.00 0.00 64.34 63.72 1uky n VAL 76 Cb 0.48 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1uky n VAL 76 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1uky n PRO 77 N 1.96 0.83 0.30 5.55 -0.02 -1.26 -4.73 135.00 137.63 1uky n PRO 77 Ca 0.09 0.29 0.16 0.00 -2.02 0.00 0.00 63.50 62.03 1uky n PRO 77 Cb 0.35 -1.60 0.95 0.00 -0.02 0.00 0.00 33.50 33.18 1uky n PRO 77 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1uky h GLN 78 N 2.18 0.00 -0.42 -0.52 3.07 -1.99 -2.17 115.11 115.25 1uky h GLN 78 Ca -0.38 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.21 1uky h GLN 78 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.93 1uky h GLN 78 CO 0.63 0.01 -0.33 0.93 0.09 0.00 0.00 178.83 180.16 1uky h GLU 79 N 0.00 0.97 0.62 0.06 3.07 -1.98 0.26 114.58 117.57 1uky h GLU 79 Ca -0.00 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 1uky h GLU 79 Cb 0.04 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1uky h GLU 79 CO 0.00 1.14 -0.30 0.82 -1.40 0.00 0.00 179.01 179.28 1uky h ILE 80 N 0.80 0.15 -0.26 3.13 2.04 -1.76 -2.37 117.51 119.23 1uky h ILE 80 Ca 0.08 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1uky h ILE 80 Cb 0.92 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1uky h ILE 80 CO 0.09 0.02 -0.19 0.74 0.00 0.00 0.00 178.15 178.81 1uky h THR 81 N -1.14 0.48 -0.98 -0.27 2.02 -1.26 -1.94 112.91 109.81 1uky h THR 81 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1uky h THR 81 Cb 0.67 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1uky h THR 81 CO 0.14 0.00 0.65 -0.07 0.37 0.00 0.00 175.52 176.60 1uky h LEU 82 N -0.18 1.10 -0.89 2.58 3.38 -0.56 -1.17 115.31 119.57 1uky h LEU 82 Ca 0.14 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1uky h LEU 82 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1uky h LEU 82 CO -0.37 0.77 0.15 0.00 0.09 0.00 0.00 178.44 179.08 1uky h ALA 83 N 1.38 1.09 -0.54 1.53 0.00 -0.80 0.76 119.26 122.69 1uky h ALA 83 Ca 0.38 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1uky h ALA 83 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1uky h ALA 83 CO -0.10 0.60 -0.06 -0.07 0.00 0.00 0.00 179.25 179.63 1uky h LEU 84 N 0.93 0.99 -0.10 0.00 4.07 -1.18 -0.80 115.31 119.21 1uky h LEU 84 Ca 0.20 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1uky h LEU 84 Cb 0.34 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1uky h LEU 84 CO 0.00 1.08 0.02 -0.07 -1.08 0.00 0.00 178.44 178.40 1uky h LEU 85 N 0.87 0.15 -1.03 1.67 3.38 -0.87 -1.78 115.31 117.70 1uky h LEU 85 Ca 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1uky h LEU 85 Cb 0.61 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1uky h LEU 85 CO 0.04 0.34 0.28 -0.09 0.09 0.00 0.00 178.44 179.10 1uky h ARG 86 N -0.05 0.97 -0.27 1.13 2.43 -0.61 -0.89 114.38 117.10 1uky h ARG 86 Ca 0.03 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 1uky h ARG 86 Cb 0.25 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1uky h ARG 86 CO 0.00 0.78 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.92 1uky h ASN 87 N 0.96 0.67 -0.01 -3.80 -0.26 -1.03 -1.29 115.58 110.83 1uky h ASN 87 Ca 0.23 -0.30 -0.18 0.00 -0.56 0.00 0.00 56.30 55.49 1uky h ASN 87 Cb 0.16 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1uky h ASN 87 CO -0.02 1.00 -0.61 0.00 -1.06 0.00 0.00 177.43 176.74 1uky h ALA 88 N 1.03 0.59 -0.28 -0.83 0.00 -0.68 -2.40 119.26 116.70 1uky h ALA 88 Ca 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1uky h ALA 88 Cb 0.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1uky h ALA 88 CO 0.08 0.70 0.12 0.82 0.00 0.00 0.00 179.25 180.97 1uky h ILE 89 N 0.46 1.17 -0.75 0.00 2.04 -1.06 -2.86 117.51 116.51 1uky h ILE 89 Ca -0.01 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1uky h ILE 89 Cb 1.18 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1uky h ILE 89 CO 0.12 0.18 0.50 0.28 0.00 0.00 0.00 178.15 179.22 1uky h SER 90 N 0.30 0.78 -0.35 1.72 0.02 -1.15 0.13 113.55 115.00 1uky h SER 90 Ca 0.09 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1uky h SER 90 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1uky h SER 90 CO -0.01 0.53 -0.22 0.44 -1.14 0.00 0.00 176.83 176.43 1uky h ASP 91 N 0.90 0.86 -0.22 3.07 3.32 -1.35 -1.70 116.42 121.31 1uky h ASP 91 Ca 0.30 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1uky h ASP 91 Cb 0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1uky h ASP 91 CO -0.09 1.05 -0.51 0.78 -1.72 0.00 0.00 179.24 178.76 1uky h ASN 92 N 0.74 0.83 -0.65 6.45 4.21 -1.06 -0.41 115.58 125.68 1uky h ASN 92 Ca 0.10 -0.56 -0.05 0.00 1.21 0.00 0.00 56.30 57.00 1uky h ASN 92 Cb 0.76 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.69 1uky h ASN 92 CO 0.06 1.24 0.22 0.58 -1.29 0.00 0.00 177.43 178.24 1uky h VAL 93 N 0.45 1.25 -0.37 2.81 2.07 -0.64 0.16 116.25 121.99 1uky h VAL 93 Ca -0.00 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1uky h VAL 93 Cb 1.12 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1uky h VAL 93 CO 0.11 0.33 0.19 0.50 0.02 0.00 0.00 177.57 178.71 1uky h LYS 94 N 1.00 0.52 0.00 1.57 3.64 -1.26 -0.87 116.57 121.17 1uky h LYS 94 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1uky h LYS 94 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1uky h LYS 94 CO -0.01 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1uky n ALA 95 N -2.26 2.11 -2.72 5.00 0.00 -0.17 -4.82 120.51 117.65 1uky n ALA 95 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 1uky n ALA 95 Cb 0.10 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1uky n ALA 95 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1uky n ASN 96 N -0.80 -2.98 -4.24 0.00 2.85 0.01 -5.02 115.26 105.07 1uky n ASN 96 Ca 0.08 -0.16 -0.34 0.00 -0.11 0.00 0.00 54.58 54.05 1uky n ASN 96 Cb 0.04 -1.79 -0.15 0.00 1.24 0.00 0.00 39.78 39.12 1uky n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1uky s LYS 97 N -5.16 3.22 0.00 1.20 1.02 0.36 -4.97 119.74 115.40 1uky s LYS 97 Ca 0.13 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1uky s LYS 97 Cb -0.06 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1uky s LYS 97 CO 0.21 -0.11 0.41 0.72 -0.92 0.00 0.00 175.35 175.66 1uky n HIS 98 N 4.44 0.00 -4.82 3.18 8.25 -1.26 -3.06 115.22 121.95 1uky n HIS 98 Ca -0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.98 1uky n HIS 98 Cb 0.51 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.45 1uky n HIS 98 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uky s LYS 99 N -1.05 2.40 0.00 -0.41 1.02 -1.26 -0.63 119.74 119.81 1uky s LYS 99 Ca 0.04 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.42 1uky s LYS 99 Cb 0.04 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1uky s LYS 99 CO 0.15 0.07 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.47 1uky s PHE 100 N 0.60 1.09 -0.39 3.18 0.08 0.09 -1.22 117.98 121.42 1uky s PHE 100 Ca -0.14 -0.24 -0.10 0.00 0.12 0.00 0.00 56.93 56.57 1uky s PHE 100 Cb -0.16 -0.69 0.05 0.00 -0.57 0.00 0.00 43.02 41.65 1uky s PHE 100 CO 0.05 -0.01 0.23 -0.51 -0.10 0.00 0.00 175.22 174.88 1uky s LEU 101 N -0.47 4.91 -0.42 -0.37 1.43 0.12 -1.71 118.68 122.17 1uky s LEU 101 Ca 0.04 -1.23 -0.16 0.00 -1.03 0.00 0.00 54.13 51.75 1uky s LEU 101 Cb -0.05 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1uky s LEU 101 CO -0.00 -0.46 0.36 -0.63 0.23 0.00 0.00 176.35 175.86 1uky s ILE 102 N 1.49 5.18 -0.14 -0.59 -1.09 -0.42 -1.27 121.20 124.36 1uky s ILE 102 Ca 0.02 -0.54 -0.15 0.00 -2.23 0.00 0.00 60.65 57.76 1uky s ILE 102 Cb -0.21 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1uky s ILE 102 CO 0.05 -0.37 0.35 -0.62 -1.23 0.00 0.00 174.94 173.11 1uky s ASP 103 N 1.77 6.53 0.00 3.58 2.15 -0.05 -0.70 116.67 129.95 1uky s ASP 103 Ca 0.08 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1uky s ASP 103 Cb -0.18 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1uky s ASP 103 CO 0.11 0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1uky n GLY 104 N 3.20 0.56 3.14 2.66 0.00 -0.56 -1.68 105.19 112.51 1uky n GLY 104 Ca -0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1uky n GLY 104 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uky s PHE 105 N -2.00 -0.30 0.26 1.61 2.19 -1.26 -4.33 117.98 114.14 1uky s PHE 105 Ca 0.00 0.74 -0.20 0.00 0.33 0.00 0.00 56.93 57.80 1uky s PHE 105 Cb 0.00 0.10 -0.09 0.00 -1.31 0.00 0.00 43.02 41.72 1uky s PHE 105 CO 0.00 -0.16 0.76 -1.25 1.83 0.00 0.00 175.22 176.41 1uky s PRO 106 N 0.29 4.24 -0.05 10.12 0.04 -1.26 -4.45 135.00 143.93 1uky s PRO 106 Ca -0.01 0.90 0.12 0.00 0.04 0.00 0.00 61.00 62.04 1uky s PRO 106 Cb -0.03 -2.75 0.36 0.00 0.04 0.00 0.00 34.50 32.12 1uky s PRO 106 CO -0.01 0.32 1.30 0.54 0.04 0.00 0.00 177.00 179.18 1uky n ARG 107 N 0.44 2.90 -3.55 4.56 1.74 -1.26 -4.94 116.66 116.54 1uky n ARG 107 Ca -0.00 -2.25 -0.14 0.00 -0.77 0.00 0.00 57.85 54.69 1uky n ARG 107 Cb 0.51 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1uky n ARG 107 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1uky s LYS 108 N -1.46 0.79 0.47 5.56 2.20 -1.26 -3.47 119.74 122.57 1uky s LYS 108 Ca 0.28 0.20 0.14 0.00 -0.36 0.00 0.00 55.97 56.23 1uky s LYS 108 Cb 0.18 0.37 1.09 0.00 -1.51 0.00 0.00 37.83 37.96 1uky s LYS 108 CO 0.14 -0.24 2.07 0.52 -0.36 0.00 0.00 175.35 177.47 1uky h MET 109 N 2.76 0.09 -0.36 4.03 2.86 -1.95 -2.52 114.93 119.85 1uky h MET 109 Ca -0.22 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.29 1uky h MET 109 Cb 1.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1uky h MET 109 CO 0.34 0.14 -0.25 0.38 1.06 0.00 0.00 176.91 178.57 1uky h ASP 110 N 0.09 0.85 -0.41 1.22 2.03 -1.99 -1.39 116.42 116.82 1uky h ASP 110 Ca 0.02 -0.44 -0.01 0.00 -0.73 0.00 0.00 57.03 55.88 1uky h ASP 110 Cb 0.13 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1uky h ASP 110 CO 0.01 1.10 0.23 1.56 -1.03 0.00 0.00 179.24 181.10 1uky h GLN 111 N 0.60 0.57 0.13 4.15 4.20 -1.92 0.67 115.11 123.51 1uky h GLN 111 Ca 0.07 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1uky h GLN 111 Cb 0.82 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1uky h GLN 111 CO 0.07 0.45 -0.24 0.00 -0.67 0.00 0.00 178.83 178.44 1uky h ALA 112 N 1.08 -0.42 -0.26 3.87 0.00 -1.28 0.46 119.26 122.71 1uky h ALA 112 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1uky h ALA 112 Cb 0.05 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uky h ALA 112 CO -0.02 -0.78 -0.31 0.82 0.00 0.00 0.00 179.25 178.96 1uky h ILE 113 N -0.45 1.31 -0.55 0.00 2.04 -1.04 -2.14 117.51 116.67 1uky h ILE 113 Ca 0.02 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1uky h ILE 113 Cb 0.47 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1uky h ILE 113 CO -0.13 0.47 0.33 0.28 0.00 0.00 0.00 178.15 179.11 1uky h SER 114 N 0.40 0.53 -0.01 1.72 0.02 -0.78 -0.96 113.55 114.48 1uky h SER 114 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1uky h SER 114 Cb 0.89 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1uky h SER 114 CO 0.07 0.37 0.01 0.15 -1.14 0.00 0.00 176.83 176.30 1uky h PHE 115 N 0.65 0.02 0.00 3.45 3.04 -0.83 0.16 116.94 123.44 1uky h PHE 115 Ca 0.22 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.12 1uky h PHE 115 Cb 0.03 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1uky h PHE 115 CO -0.06 0.02 -0.23 0.93 -2.02 0.00 0.00 178.31 176.95 1uky h GLU 116 N 0.01 0.00 0.18 1.11 5.08 -1.14 -0.67 114.58 119.15 1uky h GLU 116 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 1uky h GLU 116 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1uky h GLU 116 CO -0.00 0.23 -1.74 0.07 -1.00 0.00 0.00 179.01 176.58 1uky h ARG 117 N 0.00 0.39 0.00 2.33 0.11 -0.68 -3.33 114.38 113.20 1uky h ARG 117 Ca -0.00 -0.66 -0.02 0.00 0.10 0.00 0.00 59.98 59.40 1uky h ARG 117 Cb 0.85 0.25 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 1uky h ARG 117 CO 0.03 1.32 -1.16 -0.25 0.10 0.00 0.00 179.97 180.01 1uky n ASP 118 N -3.62 0.75 0.00 0.08 8.00 0.53 -3.06 116.55 119.24 1uky n ASP 118 Ca -0.25 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1uky n ASP 118 Cb 1.06 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1uky n ASP 118 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1uky n ILE 119 N -2.65 0.00 -3.59 0.53 5.41 -0.30 0.08 119.36 118.83 1uky n ILE 119 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.62 1uky n ILE 119 Cb 0.58 -0.88 -0.06 0.00 -0.71 0.00 0.00 39.64 38.57 1uky n ILE 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uky s VAL 120 N -0.82 0.00 0.01 1.39 0.11 -0.94 -0.59 120.40 119.56 1uky s VAL 120 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1uky s VAL 120 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1uky s VAL 120 CO 0.00 0.00 1.91 -1.61 -3.33 0.00 0.00 175.10 172.07 1uky s GLU 121 N -0.51 4.12 0.60 1.54 0.41 -1.25 -4.05 118.70 119.56 1uky s GLU 121 Ca -0.01 2.51 -0.17 0.00 -0.41 0.00 0.00 54.97 56.88 1uky s GLU 121 Cb -0.02 -4.13 -0.03 0.00 -1.78 0.00 0.00 34.13 28.16 1uky s GLU 121 CO 0.00 -0.97 1.12 -1.54 -0.49 0.00 0.00 175.26 173.39 1uky s SER 122 N 4.32 5.42 0.00 -0.19 1.04 -1.26 -4.69 113.70 118.34 1uky s SER 122 Ca 0.86 2.11 -0.25 0.00 0.48 0.00 0.00 55.95 59.15 1uky s SER 122 Cb -0.40 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 62.98 1uky s SER 122 CO 0.39 -1.42 1.21 0.11 0.98 0.00 0.00 173.24 174.51 1uky h LYS 123 N 0.66 -0.35 -2.28 4.02 1.57 -1.23 -3.48 116.57 115.48 1uky h LYS 123 Ca -0.49 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.50 1uky h LYS 123 Cb 1.26 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.56 1uky h LYS 123 CO 0.56 -0.02 0.51 -0.59 -0.57 0.00 0.00 179.45 179.33 1uky s PHE 124 N -4.54 -0.15 -0.20 -1.35 -0.71 -1.25 -4.99 117.98 104.79 1uky s PHE 124 Ca -0.14 -0.13 -0.05 0.00 -1.04 0.00 0.00 56.93 55.57 1uky s PHE 124 Cb 0.02 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.43 1uky s PHE 124 CO 0.54 -0.76 -0.00 0.42 -1.34 0.00 0.00 175.22 174.08 1uky s ILE 125 N -3.21 3.93 -0.30 -4.49 1.09 -0.15 -2.01 121.20 116.06 1uky s ILE 125 Ca 0.12 -0.32 -0.16 0.00 -1.10 0.00 0.00 60.65 59.18 1uky s ILE 125 Cb -0.01 -2.77 -0.02 0.00 -1.06 0.00 0.00 42.46 38.59 1uky s ILE 125 CO 0.01 0.43 0.43 -0.22 -0.10 0.00 0.00 174.94 175.49 1uky s LEU 126 N 0.99 4.17 -0.21 2.97 2.96 -0.15 -1.70 118.68 127.71 1uky s LEU 126 Ca 0.02 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1uky s LEU 126 Cb -0.14 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1uky s LEU 126 CO 0.02 -0.30 -0.07 0.12 -1.32 0.00 0.00 176.35 174.80 1uky s PHE 127 N 2.18 2.93 -0.89 5.38 5.36 0.10 -0.52 117.98 132.52 1uky s PHE 127 Ca 0.16 -1.02 -0.20 0.00 -0.96 0.00 0.00 56.93 54.92 1uky s PHE 127 Cb -0.16 -2.06 0.11 0.00 -0.34 0.00 0.00 43.02 40.57 1uky s PHE 127 CO 0.11 -0.56 1.14 -0.06 -1.46 0.00 0.00 175.22 174.39 1uky s PHE 128 N 1.38 2.95 -0.10 10.12 0.08 -0.36 -0.70 117.98 131.35 1uky s PHE 128 Ca 0.05 -1.15 -0.29 0.00 0.12 0.00 0.00 56.93 55.65 1uky s PHE 128 Cb -0.14 -4.34 -0.06 0.00 -0.57 0.00 0.00 43.02 37.90 1uky s PHE 128 CO -0.04 -1.58 1.91 0.34 -0.10 0.00 0.00 175.22 175.75 1uky s ASP 129 N 3.83 6.20 -0.02 1.36 -1.08 0.29 -4.52 116.67 122.73 1uky s ASP 129 Ca 0.33 2.17 -0.01 0.00 -0.52 0.00 0.00 52.55 54.51 1uky s ASP 129 Cb -0.06 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1uky s ASP 129 CO -0.06 -1.32 0.05 0.00 0.52 0.00 0.00 175.17 174.36 1uky s PRO 131 N 0.56 3.69 0.36 0.00 0.02 -1.26 -4.91 135.00 133.45 1uky s PRO 131 Ca -0.05 2.11 0.11 0.00 0.02 0.00 0.00 61.00 63.20 1uky s PRO 131 Cb -0.06 -2.54 0.67 0.00 0.02 0.00 0.00 34.50 32.58 1uky s PRO 131 CO -0.02 -0.71 1.81 1.49 -0.33 0.00 0.00 177.00 179.24 1uky h GLU 132 N 2.20 0.08 0.00 5.54 4.81 -2.00 -2.07 114.58 123.13 1uky h GLU 132 Ca -0.50 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1uky h GLU 132 Cb 1.26 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1uky h GLU 132 CO 0.61 0.42 -0.32 0.38 -0.73 0.00 0.00 179.01 179.36 1uky h ASP 133 N 0.07 0.00 -0.06 1.04 2.03 -1.99 -0.02 116.42 117.49 1uky h ASP 133 Ca 0.01 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.21 1uky h ASP 133 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1uky h ASP 133 CO 0.05 0.32 -0.33 0.40 -1.03 0.00 0.00 179.24 178.65 1uky h ILE 134 N 0.00 1.43 -0.56 4.15 1.08 -1.78 -2.62 117.51 119.21 1uky h ILE 134 Ca -0.00 -1.76 0.02 0.00 -0.39 0.00 0.00 64.86 62.72 1uky h ILE 134 Cb 0.74 2.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 1uky h ILE 134 CO 0.04 0.51 0.35 0.24 -0.69 0.00 0.00 178.15 178.60 1uky h MET 135 N -0.17 0.69 -0.48 2.37 2.86 -1.19 -2.35 114.93 116.67 1uky h MET 135 Ca -0.02 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1uky h MET 135 Cb 0.99 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1uky h MET 135 CO 0.07 0.46 0.30 1.25 1.06 0.00 0.00 176.91 180.04 1uky h LEU 136 N 0.71 0.57 -0.67 1.22 5.85 -1.02 -1.06 115.31 120.90 1uky h LEU 136 Ca 0.21 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1uky h LEU 136 Cb -0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1uky h LEU 136 CO -0.07 0.44 -0.18 1.05 -0.34 0.00 0.00 178.44 179.34 1uky h GLU 137 N 0.64 0.84 -0.77 1.25 4.11 -1.32 -2.19 114.58 117.15 1uky h GLU 137 Ca 0.17 -0.33 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 1uky h GLU 137 Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1uky h GLU 137 CO -0.03 0.96 0.33 0.00 0.07 0.00 0.00 179.01 180.33 1uky h ARG 138 N 0.74 1.12 -0.07 1.06 3.08 -1.06 -2.36 114.38 116.90 1uky h ARG 138 Ca 0.11 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 1uky h ARG 138 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1uky h ARG 138 CO 0.05 0.89 -0.70 -0.07 -1.07 0.00 0.00 179.97 179.08 1uky h LEU 139 N 1.10 0.37 -0.33 3.04 3.38 -1.08 0.06 115.31 121.86 1uky h LEU 139 Ca 0.26 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1uky h LEU 139 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1uky h LEU 139 CO -0.03 0.95 -0.58 -0.07 0.09 0.00 0.00 178.44 178.81 1uky h LEU 140 N 0.21 0.90 -0.80 1.67 3.38 -1.32 0.06 115.31 119.41 1uky h LEU 140 Ca -0.02 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 1uky h LEU 140 Cb 1.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1uky h LEU 140 CO 0.11 1.28 0.15 -0.33 0.09 0.00 0.00 178.44 179.74 1uky h GLU 141 N 0.61 1.05 -0.67 1.13 4.39 -1.38 -2.13 114.58 117.58 1uky h GLU 141 Ca 0.01 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1uky h GLU 141 Cb 1.17 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1uky h GLU 141 CO 0.12 0.94 0.31 -0.09 -1.16 0.00 0.00 179.01 179.13 1uky h ARG 142 N 1.00 0.95 -0.80 2.33 2.43 -0.75 -0.59 114.38 118.95 1uky h ARG 142 Ca 0.21 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1uky h ARG 142 Cb 0.37 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1uky h ARG 142 CO 0.00 0.75 0.52 0.78 -1.51 0.00 0.00 179.97 180.51 1uky h GLY 143 N 1.02 1.09 0.69 2.80 0.00 -0.70 0.42 103.07 108.41 1uky h GLY 143 Ca 0.23 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 1uky h GLY 143 CO -0.03 0.23 -0.72 0.50 0.00 0.00 0.00 176.54 176.52 1uky h LYS 144 N 0.82 0.32 0.00 4.80 1.79 -0.52 -2.03 116.57 121.75 1uky h LYS 144 Ca 0.35 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1uky h LYS 144 Cb 0.31 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1uky h LYS 144 CO -0.13 1.19 0.00 2.41 -1.08 0.00 0.00 179.45 181.84 1uky n THR 145 N -4.17 0.00 0.17 -0.16 -1.04 -0.36 -4.39 114.28 104.33 1uky n THR 145 Ca -0.13 1.01 0.12 0.00 -2.04 0.00 0.00 64.05 63.01 1uky n THR 145 Cb 0.77 -1.90 0.10 0.00 -1.82 0.00 0.00 70.33 67.49 1uky n THR 145 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uky h SER 146 N 0.00 0.00 -4.34 8.00 0.02 -0.35 -3.48 113.55 113.41 1uky h SER 146 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1uky h SER 146 Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.62 1uky h SER 146 CO 0.00 0.00 -0.53 0.61 -1.14 0.00 0.00 176.83 175.77 1uky n GLY 147 N 1.13 -0.31 3.77 -3.77 0.00 -0.76 -4.98 105.19 100.27 1uky n GLY 147 Ca 0.02 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1uky n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uky s ARG 148 N -5.76 4.33 0.15 1.61 3.52 -1.26 -4.95 118.95 116.59 1uky s ARG 148 Ca 0.36 2.24 -0.17 0.00 -0.13 0.00 0.00 55.73 58.03 1uky s ARG 148 Cb -0.16 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1uky s ARG 148 CO 0.44 -0.23 1.73 0.66 -0.81 0.00 0.00 175.30 177.09 1uky h SER 149 N 3.49 -0.00 0.02 -2.12 4.64 -1.98 -2.27 113.55 115.33 1uky h SER 149 Ca -0.49 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1uky h SER 149 Cb 1.23 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1uky h SER 149 CO 0.66 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.76 1uky n ASP 150 N -5.10 0.00 -3.29 4.97 5.75 -1.26 -4.28 116.55 113.34 1uky n ASP 150 Ca 0.01 -0.65 -0.38 0.00 -0.01 0.00 0.00 54.79 53.76 1uky n ASP 150 Cb 0.15 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1uky n ASP 150 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1uky n ASP 151 N -1.01 7.67 -4.20 -1.12 8.00 -0.85 -3.86 116.55 121.18 1uky n ASP 151 Ca 0.16 -3.22 -0.23 0.00 0.71 0.00 0.00 54.79 52.21 1uky n ASP 151 Cb 0.08 -1.31 -0.14 0.00 -0.02 0.00 0.00 41.12 39.73 1uky n ASP 151 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uky s ASN 152 N 0.17 2.08 0.55 -2.24 2.20 -1.26 -4.46 114.94 111.98 1uky s ASN 152 Ca 0.54 -0.50 0.23 0.00 -0.94 0.00 0.00 52.86 52.18 1uky s ASN 152 Cb 0.23 -0.15 1.46 0.00 -2.00 0.00 0.00 41.25 40.79 1uky s ASN 152 CO -0.13 0.09 2.12 -0.29 -2.94 0.00 0.00 177.10 175.95 1uky h ILE 153 N 4.41 0.76 -0.09 0.54 6.09 -1.98 0.28 117.51 127.53 1uky h ILE 153 Ca -0.41 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.04 1uky h ILE 153 Cb 1.17 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.37 1uky h ILE 153 CO 0.44 0.00 -0.12 -0.08 -3.07 0.00 0.00 178.15 175.31 1uky h GLU 154 N 0.00 0.24 -0.42 2.19 4.81 -1.97 -1.07 114.58 118.35 1uky h GLU 154 Ca 0.07 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1uky h GLU 154 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1uky h GLU 154 CO -0.00 0.70 -0.28 0.77 -0.73 0.00 0.00 179.01 179.47 1uky h SER 155 N -0.21 0.94 -0.46 1.04 0.02 -1.71 -2.93 113.55 110.24 1uky h SER 155 Ca 0.01 -0.38 0.07 0.00 -0.84 0.00 0.00 61.79 60.65 1uky h SER 155 Cb 0.67 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 1uky h SER 155 CO 0.03 1.15 0.12 0.40 -1.14 0.00 0.00 176.83 177.39 1uky h ILE 156 N 0.77 0.79 -0.61 3.27 1.08 -0.85 0.12 117.51 122.07 1uky h ILE 156 Ca 0.09 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1uky h ILE 156 Cb 0.84 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1uky h ILE 156 CO 0.07 0.05 0.25 0.11 -0.69 0.00 0.00 178.15 177.94 1uky h LYS 157 N 0.27 0.91 -0.62 2.37 1.57 -1.11 -0.48 116.57 119.49 1uky h LYS 157 Ca 0.23 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1uky h LYS 157 Cb 0.27 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1uky h LYS 157 CO -0.27 0.77 0.38 0.87 -0.57 0.00 0.00 179.45 180.64 1uky h LYS 158 N 0.85 0.73 -0.64 3.15 1.57 -1.23 -1.59 116.57 119.42 1uky h LYS 158 Ca 0.21 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1uky h LYS 158 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1uky h LYS 158 CO -0.02 0.48 0.25 0.00 -0.57 0.00 0.00 179.45 179.59 1uky h ARG 159 N 0.75 0.96 -0.52 3.15 3.08 -0.36 -1.75 114.38 119.70 1uky h ARG 159 Ca 0.25 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1uky h ARG 159 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1uky h ARG 159 CO -0.10 0.81 0.26 0.74 -1.07 0.00 0.00 179.97 180.61 1uky h PHE 160 N 0.90 0.73 -0.55 3.04 0.04 -0.90 -0.62 116.94 119.58 1uky h PHE 160 Ca 0.21 -0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.02 1uky h PHE 160 Cb 0.22 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 1uky h PHE 160 CO 0.01 0.56 0.23 -0.91 -0.60 0.00 0.00 178.31 177.60 1uky h ASN 161 N 0.69 0.27 -0.40 2.17 2.35 -1.15 -1.28 115.58 118.21 1uky h ASN 161 Ca 0.18 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1uky h ASN 161 Cb 0.09 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1uky h ASN 161 CO -0.02 0.18 -0.10 0.74 -1.65 0.00 0.00 177.43 176.57 1uky h THR 162 N 0.43 1.28 -0.01 2.81 2.02 -1.22 -0.91 112.91 117.32 1uky h THR 162 Ca 0.26 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.26 1uky h THR 162 Cb 0.26 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1uky h THR 162 CO -0.24 0.40 -0.08 0.15 0.37 0.00 0.00 175.52 176.12 1uky h PHE 163 N 0.60 -0.21 -0.23 3.16 3.57 -0.59 0.16 116.94 123.40 1uky h PHE 163 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1uky h PHE 163 Cb 0.63 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1uky h PHE 163 CO 0.05 -0.13 0.09 0.87 -2.23 0.00 0.00 178.31 176.96 1uky h LYS 164 N -0.14 0.34 -0.32 1.11 6.56 -1.07 -0.07 116.57 122.98 1uky h LYS 164 Ca 0.04 -0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.45 1uky h LYS 164 Cb 0.19 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1uky h LYS 164 CO -0.09 0.40 -0.24 0.93 -2.06 0.00 0.00 179.45 178.38 1uky h GLU 165 N 0.21 0.74 0.00 3.15 5.08 -1.01 -3.31 114.58 119.44 1uky h GLU 165 Ca 0.08 -0.36 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 1uky h GLU 165 Cb 0.18 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1uky h GLU 165 CO -0.01 0.98 -2.07 2.41 -1.00 0.00 0.00 179.01 179.32 1uky n THR 166 N -4.27 1.06 0.04 1.13 -1.04 0.54 -4.63 114.28 107.12 1uky n THR 166 Ca -0.03 -0.35 -0.16 0.00 -2.04 0.00 0.00 64.05 61.47 1uky n THR 166 Cb 0.45 -1.42 -0.14 0.00 -1.82 0.00 0.00 70.33 67.40 1uky n THR 166 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uky h SER 167 N -0.31 0.32 -0.54 8.00 0.02 -1.27 -3.36 113.55 116.42 1uky h SER 167 Ca -0.45 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 59.95 1uky h SER 167 Cb 1.55 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.96 1uky h SER 167 CO -0.17 1.44 0.22 0.24 -1.14 0.00 0.00 176.83 177.42 1uky h MET 168 N 0.06 0.85 -1.33 3.45 2.86 -1.11 -1.76 114.93 117.94 1uky h MET 168 Ca -0.27 -0.14 0.40 0.00 -2.06 0.00 0.00 59.70 57.63 1uky h MET 168 Cb 2.01 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 33.43 1uky h MET 168 CO 0.14 0.71 0.91 -1.35 1.06 0.00 0.00 176.91 178.37 1uky h PRO 169 N 0.84 0.11 -0.08 -0.22 0.11 -1.79 -0.19 132.00 130.79 1uky h PRO 169 Ca 0.20 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 1uky h PRO 169 Cb 0.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1uky h PRO 169 CO -0.02 0.08 -0.59 0.28 -0.21 0.00 0.00 178.00 177.53 1uky h VAL 170 N 0.12 1.38 -0.19 3.15 2.07 -1.49 -0.78 116.25 120.51 1uky h VAL 170 Ca 0.72 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1uky h VAL 170 Cb 2.46 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 34.19 1uky h VAL 170 CO -0.22 0.58 0.03 0.40 0.02 0.00 0.00 177.57 178.38 1uky h ILE 171 N 0.21 1.22 -0.42 4.57 1.08 -1.09 -1.44 117.51 121.64 1uky h ILE 171 Ca -0.00 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1uky h ILE 171 Cb 1.10 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 1uky h ILE 171 CO 0.09 0.22 0.13 -0.33 -0.69 0.00 0.00 178.15 177.57 1uky h GLU 172 N 0.10 0.61 -0.12 2.37 5.08 -1.33 -0.10 114.58 121.20 1uky h GLU 172 Ca 0.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1uky h GLU 172 Cb 0.30 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1uky h GLU 172 CO 0.00 0.54 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.63 1uky h TYR 173 N 0.60 0.23 0.00 4.33 3.20 -0.63 -2.98 116.97 121.71 1uky h TYR 173 Ca 0.14 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1uky h TYR 173 Cb 0.18 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1uky h TYR 173 CO 0.01 0.46 -0.13 0.74 -1.64 0.00 0.00 178.16 177.60 1uky h PHE 174 N -0.07 0.00 -0.52 -3.82 0.04 -0.98 -2.72 116.94 108.87 1uky h PHE 174 Ca 0.03 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1uky h PHE 174 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1uky h PHE 174 CO 0.04 0.13 0.02 1.49 -0.60 0.00 0.00 178.31 179.39 1uky h GLU 175 N 0.00 0.87 -0.64 1.51 4.81 -0.96 -1.57 114.58 118.60 1uky h GLU 175 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1uky h GLU 175 Cb 0.68 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1uky h GLU 175 CO 0.02 0.86 0.42 1.79 -0.73 0.00 0.00 179.01 181.36 1uky h THR 176 N 0.81 1.17 -0.04 0.32 1.35 -1.33 0.13 112.91 115.32 1uky h THR 176 Ca 0.16 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1uky h THR 176 Cb 0.45 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1uky h THR 176 CO 0.02 0.17 0.00 0.29 -0.25 0.00 0.00 175.52 175.75 1uky n LYS 177 N -4.43 1.11 -2.40 4.72 5.02 -1.03 -4.90 118.16 116.26 1uky n LYS 177 Ca 0.06 -0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 1uky n LYS 177 Cb 0.05 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1uky n LYS 177 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1uky n SER 178 N -0.34 -4.85 -1.12 4.39 7.64 0.44 -4.89 113.62 114.89 1uky n SER 178 Ca 0.01 0.10 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1uky n SER 178 Cb 0.06 -4.08 0.27 0.00 -1.01 0.00 0.00 64.21 59.44 1uky n SER 178 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1uky n LYS 179 N -2.89 3.08 -4.37 1.43 5.02 -0.62 -4.96 118.16 114.84 1uky n LYS 179 Ca -0.19 -2.53 -0.34 0.00 -2.02 0.00 0.00 58.31 53.22 1uky n LYS 179 Cb 0.65 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1uky n LYS 179 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uky s VAL 180 N -1.42 4.14 -0.25 -0.18 1.01 -1.26 -0.98 120.40 121.47 1uky s VAL 180 Ca 0.40 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1uky s VAL 180 Cb 0.24 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1uky s VAL 180 CO 0.22 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 175.07 1uky s VAL 181 N -0.29 2.07 0.01 2.92 1.01 -0.69 -4.98 120.40 120.45 1uky s VAL 181 Ca 0.06 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.35 1uky s VAL 181 Cb -0.12 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1uky s VAL 181 CO 0.02 0.01 0.47 -0.13 0.00 0.00 0.00 175.10 175.47 1uky s ARG 182 N 1.16 4.06 -0.01 2.72 0.52 -1.26 -0.72 118.95 125.42 1uky s ARG 182 Ca -0.07 0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 1uky s ARG 182 Cb -0.19 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 1uky s ARG 182 CO -0.06 0.61 -0.11 0.08 0.02 0.00 0.00 175.30 175.84 1uky s VAL 183 N -0.87 0.87 0.20 3.52 1.01 0.13 -4.91 120.40 120.34 1uky s VAL 183 Ca 0.26 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1uky s VAL 183 Cb -0.17 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1uky s VAL 183 CO 0.15 0.24 0.93 -0.13 0.00 0.00 0.00 175.10 176.29 1uky s ARG 184 N -0.28 4.79 0.27 2.72 0.52 -1.26 -0.54 118.95 125.16 1uky s ARG 184 Ca 0.04 1.45 0.18 0.00 -0.52 0.00 0.00 55.73 56.88 1uky s ARG 184 Cb -0.04 -3.31 0.08 0.00 0.52 0.00 0.00 34.95 32.20 1uky s ARG 184 CO -0.00 0.44 1.31 0.00 0.02 0.00 0.00 175.30 177.06 1uky n ASP 186 N -3.05 5.63 -4.06 0.00 5.75 -1.26 -4.78 116.55 114.78 1uky n ASP 186 Ca -0.00 -2.57 -0.27 0.00 -0.01 0.00 0.00 54.79 51.94 1uky n ASP 186 Cb 0.68 -1.11 -0.07 0.00 -1.03 0.00 0.00 41.12 39.59 1uky n ASP 186 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uky n ARG 187 N 1.22 0.69 -1.15 0.11 1.74 -1.26 -5.11 116.66 112.89 1uky n ARG 187 Ca 0.08 -3.38 -0.30 0.00 -0.77 0.00 0.00 57.85 53.48 1uky n ARG 187 Cb 0.52 1.47 0.14 0.00 -1.02 0.00 0.00 32.46 33.57 1uky n ARG 187 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1uky s SER 188 N -3.49 3.42 0.17 0.55 1.04 -1.26 -4.67 113.70 109.46 1uky s SER 188 Ca 0.12 1.56 -0.15 0.00 0.48 0.00 0.00 55.95 57.96 1uky s SER 188 Cb 0.01 -2.23 0.13 0.00 0.10 0.00 0.00 66.02 64.02 1uky s SER 188 CO 0.09 -2.68 1.71 0.58 0.98 0.00 0.00 173.24 173.92 1uky h VAL 189 N -1.58 0.74 -0.18 5.02 2.07 -1.99 0.26 116.25 120.59 1uky h VAL 189 Ca -0.49 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1uky h VAL 189 Cb 1.28 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1uky h VAL 189 CO 0.53 0.03 -0.34 -0.33 0.02 0.00 0.00 177.57 177.48 1uky h GLU 190 N 0.17 0.37 -0.04 1.57 4.39 -1.99 -0.16 114.58 118.88 1uky h GLU 190 Ca 0.21 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 1uky h GLU 190 Cb 0.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1uky h GLU 190 CO -0.30 0.67 -0.79 -0.44 -1.16 0.00 0.00 179.01 176.98 1uky h ASP 191 N 0.32 0.43 -0.57 1.42 3.32 -1.81 -2.66 116.42 116.86 1uky h ASP 191 Ca 0.04 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1uky h ASP 191 Cb 0.76 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1uky h ASP 191 CO 0.06 1.06 0.09 0.58 -1.72 0.00 0.00 179.24 179.31 1uky h VAL 192 N 0.22 1.26 -0.39 -1.35 2.07 -0.19 -3.01 116.25 114.86 1uky h VAL 192 Ca -0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1uky h VAL 192 Cb 1.38 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1uky h VAL 192 CO 0.13 0.36 0.25 0.22 0.02 0.00 0.00 177.57 178.55 1uky h TYR 193 N 0.84 0.49 -0.62 1.57 3.20 -0.96 -1.14 116.97 120.34 1uky h TYR 193 Ca 0.17 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1uky h TYR 193 Cb 0.42 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1uky h TYR 193 CO 0.03 0.31 0.19 0.87 -1.64 0.00 0.00 178.16 177.92 1uky h LYS 194 N 0.52 0.95 -0.01 1.82 1.79 -1.33 -0.23 116.57 120.08 1uky h LYS 194 Ca 0.14 -0.19 -0.19 0.00 -2.18 0.00 0.00 60.65 58.23 1uky h LYS 194 Cb -0.05 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 1uky h LYS 194 CO -0.03 0.82 -0.84 -0.44 -1.08 0.00 0.00 179.45 177.88 1uky h ASP 195 N 0.91 0.27 -0.35 0.86 3.32 -1.26 -1.51 116.42 118.66 1uky h ASP 195 Ca 0.20 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1uky h ASP 195 Cb 0.27 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1uky h ASP 195 CO -0.01 0.99 0.16 0.58 -1.72 0.00 0.00 179.24 179.24 1uky h VAL 196 N 0.12 0.96 -0.26 -1.35 2.07 -0.91 -1.04 116.25 115.85 1uky h VAL 196 Ca -0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1uky h VAL 196 Cb 1.45 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1uky h VAL 196 CO 0.13 0.06 0.12 1.56 0.02 0.00 0.00 177.57 179.46 1uky h GLN 197 N 0.33 0.37 -0.64 1.57 4.20 -0.92 -0.48 115.11 119.54 1uky h GLN 197 Ca 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1uky h GLN 197 Cb 0.08 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1uky h GLN 197 CO -0.12 0.37 0.37 0.22 -0.67 0.00 0.00 178.83 179.00 1uky h ASP 198 N 0.28 0.79 -0.31 1.46 3.58 -1.17 -0.28 116.42 120.78 1uky h ASP 198 Ca 0.09 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1uky h ASP 198 Cb 0.12 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1uky h ASP 198 CO -0.01 0.63 0.18 0.00 -2.88 0.00 0.00 179.24 177.17 1uky h ALA 199 N 1.18 0.38 -0.20 -0.78 0.00 -0.91 -0.93 119.26 118.01 1uky h ALA 199 Ca 0.23 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1uky h ALA 199 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uky h ALA 199 CO -0.04 -0.18 -0.41 0.82 0.00 0.00 0.00 179.25 179.44 1uky h ILE 200 N 0.38 1.30 -0.55 0.00 5.03 -0.72 -0.49 117.51 122.46 1uky h ILE 200 Ca 0.12 -1.56 -0.05 0.00 -0.12 0.00 0.00 64.86 63.25 1uky h ILE 200 Cb -0.01 1.60 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1uky h ILE 200 CO -0.05 0.48 0.16 0.03 -0.68 0.00 0.00 178.15 178.09 1uky h ARG 201 N 0.38 0.87 -0.07 2.37 3.08 -0.77 -1.75 114.38 118.49 1uky h ARG 201 Ca 0.03 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1uky h ARG 201 Cb 0.88 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1uky h ARG 201 CO 0.07 0.80 -0.48 -0.44 -1.07 0.00 0.00 179.97 178.86 1uky h ASP 202 N 0.77 0.18 -0.38 7.04 3.32 -1.11 -3.30 116.42 122.95 1uky h ASP 202 Ca 0.18 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1uky h ASP 202 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1uky h ASP 202 CO -0.00 0.64 0.00 -1.20 -1.72 0.00 0.00 179.24 176.96 1uky n SER 203 N -3.97 2.84 -0.71 6.45 7.64 -0.20 -5.09 113.62 120.58 1uky n SER 203 Ca -0.02 -1.92 0.09 0.00 1.01 0.00 0.00 58.87 58.03 1uky n SER 203 Cb 0.52 -0.24 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 1uky n SER 203 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21