#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dky s LYS 5 N 0.00 1.74 0.12 5.31 1.02 -1.26 -4.02 119.74 122.64 3dky s LYS 5 Ca 0.00 -1.24 -0.25 0.00 0.02 0.00 0.00 55.97 54.49 3dky s LYS 5 Cb 0.00 -2.07 0.07 0.00 -0.52 0.00 0.00 37.83 35.32 3dky s LYS 5 CO 0.00 0.46 0.84 0.00 -0.92 0.00 0.00 175.35 175.74 3dky s ALA 6 N -1.25 -1.65 -0.07 5.17 0.00 -0.45 -4.90 121.76 118.61 3dky s ALA 6 Ca 0.19 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3dky s ALA 6 Cb -0.10 0.63 -0.24 0.00 0.00 0.00 0.00 23.12 23.41 3dky s ALA 6 CO 0.10 -0.87 0.55 0.54 0.00 0.00 0.00 175.76 176.08 3dky n ARG 7 N -0.37 0.68 -3.92 0.00 1.74 -1.26 -2.35 116.66 111.17 3dky n ARG 7 Ca -0.09 0.29 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 3dky n ARG 7 Cb 0.62 -1.76 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 3dky n ARG 7 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dky s TYR 8 N -2.58 3.09 0.25 -1.55 2.02 -1.26 -0.25 117.35 117.06 3dky s TYR 8 Ca -0.11 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3dky s TYR 8 Cb 0.07 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 3dky s TYR 8 CO 0.80 -0.24 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.46 3dky s PHE 9 N 1.20 1.71 0.04 2.71 0.40 0.13 0.16 117.98 124.32 3dky s PHE 9 Ca 0.04 -0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 55.53 3dky s PHE 9 Cb -0.14 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 3dky s PHE 9 CO 0.03 0.08 -0.04 -0.08 0.70 0.00 0.00 175.22 175.91 3dky s THR 10 N -3.26 0.20 0.36 0.64 -1.32 -0.57 -0.72 115.64 110.97 3dky s THR 10 Ca 0.29 -1.28 -0.11 0.00 -1.21 0.00 0.00 61.69 59.38 3dky s THR 10 Cb 0.05 -0.78 0.03 0.00 -1.51 0.00 0.00 72.50 70.29 3dky s THR 10 CO 0.10 -0.68 0.67 0.72 -2.21 0.00 0.00 174.62 173.21 3dky s PHE 11 N -2.40 0.43 -0.06 9.09 -0.12 -1.05 -1.41 117.98 122.47 3dky s PHE 11 Ca -0.06 -0.93 0.04 0.00 -0.05 0.00 0.00 56.93 55.92 3dky s PHE 11 Cb -0.03 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 3dky s PHE 11 CO -0.04 -1.38 -0.17 -0.51 -0.05 0.00 0.00 175.22 173.07 3dky s LEU 12 N -3.12 2.57 -0.17 -1.99 1.02 -1.26 -1.16 118.68 114.58 3dky s LEU 12 Ca 0.21 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.02 3dky s LEU 12 Cb -0.03 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 3dky s LEU 12 CO 0.14 0.30 -0.01 -0.76 0.02 0.00 0.00 176.35 176.04 3dky s LEU 13 N -0.47 3.36 -0.25 1.79 1.43 0.12 -4.23 118.68 120.44 3dky s LEU 13 Ca 0.06 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3dky s LEU 13 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3dky s LEU 13 CO 0.02 0.16 0.11 -0.31 0.23 0.00 0.00 176.35 176.55 3dky s TYR 14 N 0.44 3.15 0.54 0.29 1.51 -1.20 -0.18 117.35 121.91 3dky s TYR 14 Ca -0.02 -0.18 0.24 0.00 -1.01 0.00 0.00 57.07 56.09 3dky s TYR 14 Cb -0.14 -2.26 1.42 0.00 -0.11 0.00 0.00 41.96 40.88 3dky s TYR 14 CO 0.02 -0.22 2.06 -1.35 -1.11 0.00 0.00 175.55 174.96 3dky h PRO 15 N 8.04 0.00 0.00 -1.71 0.11 -1.91 -1.54 132.00 134.99 3dky h PRO 15 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3dky h PRO 15 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dky h PRO 15 CO 0.59 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.43 3dky h GLU 16 N 0.00 0.00 -0.14 1.05 -0.00 -1.94 -3.29 114.58 110.25 3dky h GLU 16 Ca 0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.36 3dky h GLU 16 Cb 0.62 0.00 -0.19 0.00 -0.00 0.00 0.00 28.75 29.18 3dky h GLU 16 CO -0.00 0.00 -0.72 -1.13 -0.00 0.00 0.00 179.01 177.16 3dky n SER 17 N -2.31 2.03 -3.91 3.06 3.41 -0.60 -5.01 113.62 110.29 3dky n SER 17 Ca 0.05 -3.30 -0.16 0.00 -0.26 0.00 0.00 58.87 55.20 3dky n SER 17 Cb 0.44 -0.44 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 3dky n SER 17 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3dky s ILE 18 N -2.72 0.31 1.09 -1.33 -4.36 -1.08 -3.95 121.20 109.16 3dky s ILE 18 Ca 0.38 -0.11 -0.16 0.00 -0.26 0.00 0.00 60.65 60.51 3dky s ILE 18 Cb 0.38 -0.30 0.14 0.00 1.25 0.00 0.00 42.46 43.93 3dky s ILE 18 CO -0.07 0.12 0.39 -2.65 0.24 0.00 0.00 174.94 172.97 3dky n PRO 19 N 3.35 -1.52 0.17 0.37 -0.02 -1.26 -4.89 135.00 131.19 3dky n PRO 19 Ca -0.17 -0.42 0.04 0.00 -2.02 0.00 0.00 63.50 60.94 3dky n PRO 19 Cb 0.56 -1.88 0.19 0.00 -0.02 0.00 0.00 33.50 32.34 3dky n PRO 19 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dky h SER 20 N -2.13 0.00 -0.41 2.55 4.64 -2.00 -2.80 113.55 113.40 3dky h SER 20 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3dky h SER 20 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3dky h SER 20 CO 0.40 0.43 0.00 -0.90 -0.87 0.00 0.00 176.83 175.89 3dky n ASP 21 N -3.35 4.03 -0.26 4.97 5.68 -1.26 -4.56 116.55 121.80 3dky n ASP 21 Ca 0.01 -2.55 0.07 0.00 -0.50 0.00 0.00 54.79 51.82 3dky n ASP 21 Cb 0.62 -0.59 0.20 0.00 -1.14 0.00 0.00 41.12 40.21 3dky n ASP 21 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3dky h TRP 22 N 2.76 0.28 -0.45 2.11 5.08 -1.84 -0.81 115.95 123.09 3dky h TRP 22 Ca 0.00 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 60.00 3dky h TRP 22 Cb 1.40 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.53 3dky h TRP 22 CO 0.69 -0.11 0.20 1.49 -1.28 0.00 0.00 178.44 179.43 3dky h GLU 23 N 0.26 0.63 0.00 0.12 4.81 -1.87 -0.95 114.58 117.58 3dky h GLU 23 Ca 0.44 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 3dky h GLU 23 Cb 0.78 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3dky h GLU 23 CO -0.55 0.50 -0.90 1.25 -0.73 0.00 0.00 179.01 178.59 3dky h LEU 24 N 0.63 0.01 -0.22 1.64 5.85 -1.67 -3.27 115.31 118.27 3dky h LEU 24 Ca 0.16 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 3dky h LEU 24 Cb 0.09 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3dky h LEU 24 CO -0.02 0.90 -0.83 0.11 -0.34 0.00 0.00 178.44 178.26 3dky h LYS 25 N 0.00 0.58 -0.18 1.25 1.57 -0.01 -3.00 116.57 116.79 3dky h LYS 25 Ca -0.01 -0.52 -0.04 0.00 -1.87 0.00 0.00 60.65 58.21 3dky h LYS 25 Cb 1.59 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 3dky h LYS 25 CO 0.12 1.14 -0.07 -0.07 -0.57 0.00 0.00 179.45 180.00 3dky h LEU 26 N 0.37 0.25 -1.54 2.94 3.38 -1.35 -2.60 115.31 116.77 3dky h LEU 26 Ca -0.06 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dky h LEU 26 Cb 1.45 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 3dky h LEU 26 CO 0.16 0.36 0.38 -0.08 0.09 0.00 0.00 178.44 179.35 3dky h GLU 27 N 0.26 0.56 -0.27 1.13 4.81 -1.58 -2.61 114.58 116.89 3dky h GLU 27 Ca 0.06 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3dky h GLU 27 Cb 0.30 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3dky h GLU 27 CO 0.01 0.37 -0.26 1.79 -0.73 0.00 0.00 179.01 180.20 3dky h THR 28 N 0.58 1.27 0.00 0.32 1.35 -1.48 -3.08 112.91 111.87 3dky h THR 28 Ca 0.24 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3dky h THR 28 Cb 0.22 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3dky h THR 28 CO -0.07 0.41 0.40 -0.07 -0.25 0.00 0.00 175.52 175.95 3dky h LEU 29 N 0.46 0.00 0.00 3.87 3.38 -1.56 -3.43 115.31 118.02 3dky h LEU 29 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dky h LEU 29 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dky h LEU 29 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3dky n GLY 30 N -1.26 2.81 3.77 0.83 0.00 -1.16 -4.99 105.19 105.18 3dky n GLY 30 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3dky n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dky s VAL 31 N -2.55 4.36 0.12 1.61 1.01 -1.26 -5.01 120.40 118.68 3dky s VAL 31 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3dky s VAL 31 Cb 0.00 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 3dky s VAL 31 CO 0.00 0.50 1.18 -2.84 0.00 0.00 0.00 175.10 173.94 3dky s PRO 32 N -1.01 4.48 0.08 2.72 0.02 -1.26 -4.67 135.00 135.36 3dky s PRO 32 Ca 0.37 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.22 3dky s PRO 32 Cb -0.23 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.95 3dky s PRO 32 CO 0.27 -0.15 -0.10 -1.64 -0.33 0.00 0.00 177.00 175.05 3dky s MET 33 N 0.44 0.79 -0.09 5.54 -1.94 -0.82 -2.79 119.30 120.43 3dky s MET 33 Ca 0.55 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 3dky s MET 33 Cb -0.30 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.03 3dky s MET 33 CO 0.32 0.08 -0.21 0.00 -0.01 0.00 0.00 175.02 175.20 3dky s ALA 34 N -2.18 1.96 -0.11 3.03 0.00 -0.07 -0.42 121.76 123.96 3dky s ALA 34 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3dky s ALA 34 Cb -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3dky s ALA 34 CO 0.00 0.26 -0.20 0.42 0.00 0.00 0.00 175.76 176.24 3dky s ILE 35 N 0.36 2.38 1.03 0.00 1.01 0.11 -0.30 121.20 125.79 3dky s ILE 35 Ca -0.17 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 3dky s ILE 35 Cb -0.17 -1.95 0.21 0.00 0.01 0.00 0.00 42.46 40.56 3dky s ILE 35 CO 0.07 0.55 1.07 -0.94 0.00 0.00 0.00 174.94 175.69 3dky s SER 36 N 0.40 2.13 0.84 3.58 1.04 -0.13 -0.45 113.70 121.11 3dky s SER 36 Ca -0.15 1.61 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 3dky s SER 36 Cb -0.17 -2.28 0.10 0.00 0.10 0.00 0.00 66.02 63.77 3dky s SER 36 CO 0.07 -3.50 1.12 -2.84 0.98 0.00 0.00 173.24 169.07 3dky s PRO 37 N -4.67 1.67 -0.27 4.02 0.02 -1.26 -4.67 135.00 129.84 3dky s PRO 37 Ca 0.67 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3dky s PRO 37 Cb -0.22 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 3dky s PRO 37 CO 0.61 -2.12 2.22 -1.17 -0.33 0.00 0.00 177.00 176.21 3dky s LEU 38 N -6.21 3.43 -1.19 -5.54 0.20 -1.26 -4.74 118.68 103.37 3dky s LEU 38 Ca 0.64 1.72 -0.19 0.00 0.69 0.00 0.00 54.13 57.00 3dky s LEU 38 Cb -0.20 -3.36 -0.03 0.00 -0.43 0.00 0.00 46.19 42.17 3dky s LEU 38 CO 0.56 -2.09 1.96 1.41 -0.29 0.00 0.00 176.35 177.90 3dky n HIS 39 N 12.24 3.28 -0.03 5.38 8.25 -0.28 -4.63 115.22 139.44 3dky n HIS 39 Ca 0.30 -2.34 0.06 0.00 -0.26 0.00 0.00 57.72 55.48 3dky n HIS 39 Cb 0.47 -2.39 -0.15 0.00 1.12 0.00 0.00 29.99 29.03 3dky n HIS 39 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3dky n ASP 40 N 8.84 0.41 -2.20 0.41 3.85 -1.26 -2.45 116.55 124.15 3dky n ASP 40 Ca 0.49 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 54.28 3dky n ASP 40 Cb 0.43 1.71 0.11 0.00 -1.35 0.00 0.00 41.12 42.02 3dky n ASP 40 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dky n LYS 41 N -2.31 2.59 0.08 0.11 5.02 -1.26 -4.82 118.16 117.58 3dky n LYS 41 Ca -0.10 -3.28 -0.04 0.00 -2.02 0.00 0.00 58.31 52.88 3dky n LYS 41 Cb 0.65 -2.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 3dky n LYS 41 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3dky h ASP 42 N 1.68 -0.20 -3.25 4.39 3.45 -1.95 -3.43 116.42 117.12 3dky h ASP 42 Ca 0.57 0.01 -0.67 0.00 0.43 0.00 0.00 57.03 57.37 3dky h ASP 42 Cb 1.49 0.05 -0.33 0.00 -0.56 0.00 0.00 39.33 39.98 3dky h ASP 42 CO 1.32 -0.00 -0.86 0.00 -1.57 0.00 0.00 179.24 178.13 3dky s ALA 54 N -3.39 2.29 0.23 3.45 0.00 -1.26 -5.13 121.76 117.95 3dky s ALA 54 Ca -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 3dky s ALA 54 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 3dky s ALA 54 CO 0.10 0.04 0.24 -3.38 0.00 0.00 0.00 175.76 172.77 3dky s HIS 55 N 0.70 0.99 0.03 0.00 -3.43 -1.02 -4.22 115.29 108.34 3dky s HIS 55 Ca -0.09 -1.23 0.09 0.00 -0.80 0.00 0.00 55.06 53.03 3dky s HIS 55 Cb -0.16 -0.36 -0.03 0.00 -1.43 0.00 0.00 32.58 30.60 3dky s HIS 55 CO 0.01 -0.76 -0.26 0.71 -2.00 0.00 0.00 174.74 172.43 3dky s TYR 56 N -4.04 2.33 -0.17 0.38 2.02 0.75 -1.12 117.35 117.51 3dky s TYR 56 Ca 0.35 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.56 3dky s TYR 56 Cb 0.04 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3dky s TYR 56 CO 0.12 0.11 0.06 -1.01 -1.57 0.00 0.00 175.55 173.27 3dky s HIS 57 N -0.78 3.28 -0.06 2.71 3.76 -1.26 -0.70 115.29 122.23 3dky s HIS 57 Ca 0.12 0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.20 3dky s HIS 57 Cb -0.10 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 3dky s HIS 57 CO 0.02 0.23 -0.22 0.08 -0.85 0.00 0.00 174.74 173.99 3dky s VAL 58 N 0.17 2.35 -0.29 -0.90 1.01 -0.31 -0.96 120.40 121.47 3dky s VAL 58 Ca 0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3dky s VAL 58 Cb -0.12 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3dky s VAL 58 CO 0.00 0.57 0.03 -0.22 0.00 0.00 0.00 175.10 175.48 3dky s LEU 59 N -0.23 3.81 -0.20 3.92 0.20 0.59 -2.53 118.68 124.23 3dky s LEU 59 Ca -0.01 -1.00 0.01 0.00 0.69 0.00 0.00 54.13 53.82 3dky s LEU 59 Cb -0.13 -1.78 0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3dky s LEU 59 CO 0.03 -0.23 -0.14 -0.47 -0.29 0.00 0.00 176.35 175.26 3dky s TYR 60 N 1.37 2.63 -0.30 5.38 6.14 0.10 -0.89 117.35 131.79 3dky s TYR 60 Ca -0.01 -1.68 -0.02 0.00 0.64 0.00 0.00 57.07 56.00 3dky s TYR 60 Cb -0.18 -1.77 0.05 0.00 0.42 0.00 0.00 41.96 40.48 3dky s TYR 60 CO -0.00 -0.78 0.00 0.96 0.64 0.00 0.00 175.55 176.38 3dky s ILE 61 N 1.33 3.08 0.61 3.14 -4.36 -1.12 -0.70 121.20 123.18 3dky s ILE 61 Ca 0.00 -1.30 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3dky s ILE 61 Cb -0.15 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.79 3dky s ILE 61 CO -0.09 -0.08 1.16 0.00 0.24 0.00 0.00 174.94 176.17 3dky s ALA 62 N 1.28 2.51 0.10 2.27 0.00 0.65 -4.18 121.76 124.40 3dky s ALA 62 Ca -0.04 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 3dky s ALA 62 Cb -0.19 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 3dky s ALA 62 CO -0.01 -1.17 1.70 -0.22 0.00 0.00 0.00 175.76 176.06 3dky h LYS 63 N 0.63 -0.20 -6.11 0.00 3.64 -1.96 -3.45 116.57 109.11 3dky h LYS 63 Ca -0.49 0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 3dky h LYS 63 Cb 1.28 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 3dky h LYS 63 CO 0.55 -0.14 -0.73 -0.80 -2.27 0.00 0.00 179.45 176.06 3dky s ASN 64 N -5.01 3.64 -0.50 4.20 0.01 -1.26 -5.07 114.94 110.94 3dky s ASN 64 Ca -0.14 -1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 50.62 3dky s ASN 64 Cb 0.07 -0.32 -0.10 0.00 0.41 0.00 0.00 41.25 41.31 3dky s ASN 64 CO 0.66 -0.04 2.38 -2.65 -1.51 0.00 0.00 177.10 175.93 3dky n PRO 65 N -0.68 1.01 -4.62 -0.60 -0.02 -1.26 -4.69 135.00 124.14 3dky n PRO 65 Ca -0.05 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 3dky n PRO 65 Cb 0.61 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 3dky n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dky s VAL 66 N 9.85 1.68 0.51 -1.45 -7.23 -0.99 -4.72 120.40 118.06 3dky s VAL 66 Ca 1.08 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 3dky s VAL 66 Cb -0.56 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.59 3dky s VAL 66 CO 0.37 0.00 0.78 0.42 -0.31 0.00 0.00 175.10 176.36 3dky s THR 67 N -2.84 4.02 0.21 5.32 -4.23 -1.26 -1.34 115.64 115.53 3dky s THR 67 Ca 0.29 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.53 3dky s THR 67 Cb 0.08 -3.54 0.16 0.00 1.34 0.00 0.00 72.50 70.55 3dky s THR 67 CO 0.15 -0.47 1.72 0.00 -0.54 0.00 0.00 174.62 175.47 3dky h ALA 68 N 0.14 0.76 0.00 3.99 0.00 -1.94 -3.02 119.26 119.19 3dky h ALA 68 Ca -0.46 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3dky h ALA 68 Cb 1.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3dky h ALA 68 CO 0.59 -0.27 -0.49 -0.44 0.00 0.00 0.00 179.25 178.64 3dky h ASP 69 N 0.31 0.00 0.40 0.00 5.19 -1.94 -2.53 116.42 117.85 3dky h ASP 69 Ca 0.32 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.67 3dky h ASP 69 Cb 0.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3dky h ASP 69 CO -0.38 0.49 -0.31 0.77 -3.12 0.00 0.00 179.24 176.69 3dky h SER 70 N 0.00 0.00 0.06 6.45 4.64 -1.92 -2.07 113.55 120.71 3dky h SER 70 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dky h SER 70 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3dky h SER 70 CO 0.06 0.31 -0.03 0.58 -0.87 0.00 0.00 176.83 176.89 3dky h VAL 71 N 0.00 0.82 -0.97 0.95 2.07 -1.53 -2.69 116.25 114.89 3dky h VAL 71 Ca -0.00 -1.45 0.25 0.00 0.82 0.00 0.00 66.70 66.31 3dky h VAL 71 Cb 0.60 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 31.74 3dky h VAL 71 CO 0.04 0.26 0.53 -0.09 0.02 0.00 0.00 177.57 178.33 3dky h ARG 72 N -0.97 0.48 0.00 1.57 2.43 -1.33 0.44 114.38 117.00 3dky h ARG 72 Ca -0.01 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 3dky h ARG 72 Cb 0.49 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dky h ARG 72 CO 0.01 0.32 -1.18 0.87 -1.51 0.00 0.00 179.97 178.48 3dky h LYS 73 N 0.49 0.00 -0.30 0.20 1.57 -1.51 -1.91 116.57 115.10 3dky h LYS 73 Ca 0.64 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.34 3dky h LYS 73 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3dky h LYS 73 CO -0.51 0.48 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.50 3dky h LYS 74 N 0.00 0.52 0.10 3.15 3.64 -0.73 -2.22 116.57 121.02 3dky h LYS 74 Ca -0.12 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 58.83 3dky h LYS 74 Cb 1.64 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3dky h LYS 74 CO 0.07 0.64 -1.30 0.82 -2.27 0.00 0.00 179.45 177.41 3dky h ILE 75 N 0.48 1.42 0.55 2.00 1.08 -1.02 -3.29 117.51 118.72 3dky h ILE 75 Ca 0.09 -3.04 -0.03 0.00 -0.39 0.00 0.00 64.86 61.49 3dky h ILE 75 Cb 0.50 2.86 0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3dky h ILE 75 CO 0.03 0.87 -0.26 0.11 -0.69 0.00 0.00 178.15 178.21 3dky h LYS 76 N 0.06 -0.71 -0.14 2.37 1.57 -1.25 -1.89 116.57 116.58 3dky h LYS 76 Ca -0.15 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dky h LYS 76 Cb 1.95 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.42 3dky h LYS 76 CO 0.18 -0.45 0.00 1.28 -0.57 0.00 0.00 179.45 179.89 3dky n LEU 77 N -5.39 0.14 0.00 2.94 4.32 -0.85 -0.00 117.00 118.16 3dky n LEU 77 Ca -0.12 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3dky n LEU 77 Cb 0.31 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 3dky n LEU 77 CO 0.36 0.04 -0.14 -0.11 -1.22 0.00 0.00 177.39 176.32 3dky n LEU 78 N -0.12 0.00 0.00 2.23 -0.00 -1.00 -4.87 117.00 113.24 3dky n LEU 78 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 3dky n LEU 78 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 3dky n LEU 78 CO 0.00 0.00 -0.01 0.18 -0.00 0.00 0.00 177.39 177.56 3dky n LEU 79 N -0.48 0.00 0.00 -1.96 4.77 -0.75 -4.94 117.00 113.64 3dky n LEU 79 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3dky n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dky n LEU 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3dky n GLY 80 N 0.09 3.29 0.00 -0.72 0.00 0.99 -4.35 105.19 104.49 3dky n GLY 80 Ca 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.36 3dky n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dky n GLU 81 N -0.35 0.01 -0.22 1.61 2.13 -1.25 -2.68 120.64 119.88 3dky n GLU 81 Ca 0.00 0.42 0.06 0.00 0.66 0.00 0.00 57.16 58.30 3dky n GLU 81 Cb 0.00 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 30.37 3dky n GLU 81 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3dky n LYS 82 N -1.47 2.84 0.04 5.31 4.81 -1.26 -4.71 118.16 123.71 3dky n LYS 82 Ca 0.01 -2.22 -0.16 0.00 -0.87 0.00 0.00 58.31 55.07 3dky n LYS 82 Cb 0.04 -1.40 -0.14 0.00 0.02 0.00 0.00 35.03 33.54 3dky n LYS 82 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dky h SER 83 N 1.66 0.31 -4.10 3.14 4.64 -1.63 -3.46 113.55 114.11 3dky h SER 83 Ca 0.00 -0.50 -0.36 0.00 -0.47 0.00 0.00 61.79 60.46 3dky h SER 83 Cb 0.91 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.81 3dky h SER 83 CO 0.06 1.43 -0.34 0.00 -0.87 0.00 0.00 176.83 177.11 3dky n LEU 84 N -3.38 0.00 0.00 5.97 -0.00 -1.26 -3.22 117.00 115.11 3dky n LEU 84 Ca -0.19 -2.29 0.00 0.00 -0.00 0.00 0.00 56.01 53.53 3dky n LEU 84 Cb 1.04 1.14 0.00 0.00 -0.00 0.00 0.00 43.42 45.60 3dky n LEU 84 CO 0.48 -0.38 0.00 0.00 -0.00 0.00 0.00 177.39 177.49 3dky n ALA 85 N -1.38 0.00 -3.72 1.47 0.00 -1.26 -5.03 120.51 110.59 3dky n ALA 85 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 3dky n ALA 85 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 3dky n ALA 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dky s MET 86 N 0.00 2.45 -0.37 0.00 -2.45 -1.26 -5.04 119.30 112.63 3dky s MET 86 Ca 0.00 -2.36 -0.08 0.00 -1.25 0.00 0.00 55.69 52.00 3dky s MET 86 Cb 0.00 -3.71 0.04 0.00 1.25 0.00 0.00 34.83 32.41 3dky s MET 86 CO 0.00 -1.15 0.17 0.08 1.05 0.00 0.00 175.02 175.16 3dky s VAL 87 N 0.24 4.12 0.18 10.11 1.01 -1.26 -4.03 120.40 130.77 3dky s VAL 87 Ca 0.15 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3dky s VAL 87 Cb -0.21 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3dky s VAL 87 CO -0.04 -0.26 0.42 -1.10 0.00 0.00 0.00 175.10 174.13 3dky s GLN 88 N 1.45 3.63 -0.15 2.72 1.11 -0.50 -4.96 119.66 122.97 3dky s GLN 88 Ca 0.00 -0.07 -0.17 0.00 0.01 0.00 0.00 55.36 55.13 3dky s GLN 88 Cb -0.20 -2.79 -0.04 0.00 -1.01 0.00 0.00 33.01 28.97 3dky s GLN 88 CO 0.04 0.40 0.42 0.54 0.01 0.00 0.00 175.29 176.71 3dky s VAL 89 N -1.77 5.21 0.01 1.09 0.11 -1.26 -1.51 120.40 122.28 3dky s VAL 89 Ca 0.42 0.82 -0.28 0.00 -2.93 0.00 0.00 61.98 60.01 3dky s VAL 89 Cb -0.12 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 3dky s VAL 89 CO 0.26 0.32 0.87 -0.69 -3.33 0.00 0.00 175.10 172.53 3dky s VAL 90 N 0.75 4.84 -0.19 2.04 1.01 0.12 -4.91 120.40 124.06 3dky s VAL 90 Ca 0.23 1.84 0.08 0.00 0.00 0.00 0.00 61.98 64.13 3dky s VAL 90 Cb -0.15 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.79 3dky s VAL 90 CO 0.08 0.24 0.09 0.18 0.00 0.00 0.00 175.10 175.69 3dky n LEU 91 N 3.53 1.50 -3.84 3.92 4.32 -1.26 -4.63 117.00 120.54 3dky n LEU 91 Ca 0.02 0.04 -0.30 0.00 -0.02 0.00 0.00 56.01 55.75 3dky n LEU 91 Cb 0.51 -0.25 -0.15 0.00 -1.62 0.00 0.00 43.42 41.91 3dky n LEU 91 CO 0.50 0.68 -0.34 0.21 -1.22 0.00 0.00 177.39 177.22 3dky s ASN 92 N -6.13 4.22 0.25 -1.43 2.47 -1.26 -5.01 114.94 108.05 3dky s ASN 92 Ca -0.19 -1.74 -0.04 0.00 0.42 0.00 0.00 52.86 51.31 3dky s ASN 92 Cb 0.07 -1.12 0.38 0.00 -1.45 0.00 0.00 41.25 39.13 3dky s ASN 92 CO 0.74 -0.39 1.86 0.58 -3.72 0.00 0.00 177.10 176.17 3dky h VAL 93 N 6.54 1.04 -0.77 -5.21 2.07 -1.92 -1.18 116.25 116.83 3dky h VAL 93 Ca -0.11 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3dky h VAL 93 Cb 1.02 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3dky h VAL 93 CO 0.48 0.19 0.31 -0.08 0.02 0.00 0.00 177.57 178.49 3dky h GLU 94 N 1.04 1.14 -0.43 1.57 4.81 -1.93 -1.76 114.58 119.03 3dky h GLU 94 Ca 0.41 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3dky h GLU 94 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3dky h GLU 94 CO -0.19 0.93 -0.25 -0.97 -0.73 0.00 0.00 179.01 177.81 3dky h ASN 95 N 1.11 0.92 0.32 1.04 -1.24 -1.73 -1.56 115.58 114.43 3dky h ASN 95 Ca 0.26 -0.35 -0.10 0.00 0.71 0.00 0.00 56.30 56.81 3dky h ASN 95 Cb 0.21 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 3dky h ASN 95 CO -0.02 1.11 -0.41 -0.03 -1.29 0.00 0.00 177.43 176.79 3dky h MET 96 N 0.76 0.13 -0.16 6.67 4.05 -1.09 -1.35 114.93 123.95 3dky h MET 96 Ca 0.10 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.31 3dky h MET 96 Cb 0.80 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 3dky h MET 96 CO 0.07 0.53 -0.53 -0.92 0.23 0.00 0.00 176.91 176.28 3dky h TYR 97 N 0.11 0.56 0.00 1.39 3.20 -1.12 -2.07 116.97 119.04 3dky h TYR 97 Ca 0.01 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 3dky h TYR 97 Cb 0.78 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3dky h TYR 97 CO 0.01 0.89 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.92 3dky h LEU 98 N 0.35 0.00 -0.81 2.82 3.38 -1.16 -3.16 115.31 116.73 3dky h LEU 98 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3dky h LEU 98 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3dky h LEU 98 CO 0.09 0.42 -0.41 0.22 0.09 0.00 0.00 178.44 178.86 3dky h TYR 99 N 0.00 0.00 -0.75 1.13 5.03 -0.57 -1.04 116.97 120.77 3dky h TYR 99 Ca -0.00 0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.52 3dky h TYR 99 Cb 0.99 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.24 3dky h TYR 99 CO 0.00 0.41 0.54 -0.07 -1.32 0.00 0.00 178.16 177.72 3dky h LEU 100 N 0.00 0.03 -3.03 2.82 3.38 -1.40 -0.95 115.31 116.16 3dky h LEU 100 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dky h LEU 100 Cb 0.97 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3dky h LEU 100 CO 0.05 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.95 3dky n THR 101 N -4.33 1.50 -2.06 0.22 -2.24 -1.02 -4.28 114.28 102.08 3dky n THR 101 Ca 0.15 -1.40 -0.15 0.00 -2.27 0.00 0.00 64.05 60.38 3dky n THR 101 Cb 0.80 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 3dky n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dky n HIS 102 N -0.12 -0.91 -1.07 4.78 8.25 -0.36 -2.12 115.22 123.66 3dky n HIS 102 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.59 3dky n HIS 102 Cb 0.58 -3.00 0.29 0.00 1.12 0.00 0.00 29.99 28.98 3dky n HIS 102 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dky n GLU 103 N -2.54 3.43 -2.92 -0.41 1.02 -0.42 -4.07 120.64 114.72 3dky n GLU 103 Ca -0.17 -3.06 -0.18 0.00 -0.02 0.00 0.00 57.16 53.74 3dky n GLU 103 Cb 0.58 -2.08 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 3dky n GLU 103 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3dky s SER 104 N -1.42 5.52 0.10 1.62 1.04 -1.21 -4.87 113.70 114.48 3dky s SER 104 Ca 0.51 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 3dky s SER 104 Cb 0.41 -0.65 -0.11 0.00 0.10 0.00 0.00 66.02 65.78 3dky s SER 104 CO 0.11 -0.89 1.73 0.11 0.98 0.00 0.00 173.24 175.28 3dky h LYS 105 N 0.47 0.03 -0.11 4.02 1.57 -1.94 0.00 116.57 120.61 3dky h LYS 105 Ca -0.40 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.42 3dky h LYS 105 Cb 1.28 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 3dky h LYS 105 CO 0.46 0.02 -0.34 0.38 -0.57 0.00 0.00 179.45 179.40 3dky h ASP 106 N 0.03 -1.06 0.26 0.86 2.03 -1.96 -3.07 116.42 113.51 3dky h ASP 106 Ca 0.04 0.15 -0.15 0.00 -0.73 0.00 0.00 57.03 56.33 3dky h ASP 106 Cb 0.04 0.44 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 3dky h ASP 106 CO -0.06 -0.38 -0.59 0.00 -1.03 0.00 0.00 179.24 177.18 3dky h ALA 107 N 0.33 0.80 -0.53 4.15 0.00 -1.84 -2.95 119.26 119.22 3dky h ALA 107 Ca 0.09 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3dky h ALA 107 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3dky h ALA 107 CO -0.35 0.72 -0.00 0.82 0.00 0.00 0.00 179.25 180.43 3dky h ILE 108 N 0.25 1.25 0.00 0.00 2.04 -1.00 -1.86 117.51 118.19 3dky h ILE 108 Ca -0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3dky h ILE 108 Cb 1.11 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3dky h ILE 108 CO 0.10 0.38 -0.04 0.00 0.00 0.00 0.00 178.15 178.59 3dky h ALA 109 N 1.15 0.97 -0.18 1.87 0.00 -1.56 -2.71 119.26 118.80 3dky h ALA 109 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dky h ALA 109 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dky h ALA 109 CO 0.02 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.96 3dky n LYS 110 N -3.11 1.73 -2.91 0.00 5.02 -1.07 -4.96 118.16 112.85 3dky n LYS 110 Ca 0.03 -1.11 -0.20 0.00 -2.02 0.00 0.00 58.31 55.02 3dky n LYS 110 Cb 0.52 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 3dky n LYS 110 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dky n LYS 111 N 0.34 -3.40 -2.10 1.97 5.02 -0.76 -4.94 118.16 114.29 3dky n LYS 111 Ca 0.16 0.71 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 3dky n LYS 111 Cb 0.33 -5.44 0.01 0.00 -0.02 0.00 0.00 35.03 29.90 3dky n LYS 111 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dky s LYS 112 N -5.56 3.31 -0.42 1.97 1.02 -0.87 -4.90 119.74 114.30 3dky s LYS 112 Ca 0.22 1.31 -0.27 0.00 0.02 0.00 0.00 55.97 57.26 3dky s LYS 112 Cb -0.11 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 3dky s LYS 112 CO 0.28 -0.83 2.20 -1.58 -0.92 0.00 0.00 175.35 174.49 3dky s HIS 113 N -2.27 1.28 0.23 3.18 5.65 -1.26 -4.93 115.29 117.17 3dky s HIS 113 Ca 0.66 1.05 -0.31 0.00 0.25 0.00 0.00 55.06 56.71 3dky s HIS 113 Cb -0.18 -3.82 -0.11 0.00 -1.18 0.00 0.00 32.58 27.29 3dky s HIS 113 CO 0.34 -2.97 1.65 0.08 -0.65 0.00 0.00 174.74 173.18 3dky s VAL 114 N 10.02 2.15 0.45 0.89 1.01 -1.26 -4.76 120.40 128.90 3dky s VAL 114 Ca 0.91 0.12 0.07 0.00 0.00 0.00 0.00 61.98 63.08 3dky s VAL 114 Cb -0.21 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3dky s VAL 114 CO 0.29 0.01 0.41 -0.31 0.00 0.00 0.00 175.10 175.50 3dky s TYR 115 N 0.74 2.42 -0.24 5.22 1.51 -0.90 -5.03 117.35 121.07 3dky s TYR 115 Ca 0.70 -0.57 -0.28 0.00 -1.01 0.00 0.00 57.07 55.90 3dky s TYR 115 Cb -0.48 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.25 3dky s TYR 115 CO 0.37 -0.26 1.02 0.34 -1.11 0.00 0.00 175.55 175.91 3dky s ASP 116 N -4.19 7.06 0.07 2.29 -1.08 -1.26 -4.90 116.67 114.65 3dky s ASP 116 Ca 0.47 1.32 0.17 0.00 -0.52 0.00 0.00 52.55 53.98 3dky s ASP 116 Cb -0.03 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.61 3dky s ASP 116 CO 0.27 -0.67 1.53 2.29 0.52 0.00 0.00 175.17 179.12 3dky n LYS 117 N 6.32 0.05 0.10 4.34 2.85 -1.26 -1.70 118.16 128.86 3dky n LYS 117 Ca 0.11 0.30 0.12 0.00 -1.05 0.00 0.00 58.31 57.80 3dky n LYS 117 Cb 0.46 -1.60 0.45 0.00 -0.65 0.00 0.00 35.03 33.69 3dky n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dky n ALA 118 N -1.58 2.00 0.56 0.58 0.00 -1.26 -3.29 120.51 117.53 3dky n ALA 118 Ca 0.03 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3dky n ALA 118 Cb 0.18 -1.42 0.11 0.00 0.00 0.00 0.00 19.45 18.32 3dky n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dky n ASP 119 N -2.13 0.66 -4.64 0.00 8.00 -0.69 -4.89 116.55 112.86 3dky n ASP 119 Ca 0.04 -0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.09 3dky n ASP 119 Cb 0.33 0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.82 3dky n ASP 119 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3dky n ILE 120 N -2.06 1.27 -4.39 0.53 5.41 -1.21 -4.28 119.36 114.63 3dky n ILE 120 Ca 0.03 -0.32 -0.33 0.00 1.00 0.00 0.00 62.75 63.12 3dky n ILE 120 Cb 0.44 -1.29 -0.15 0.00 -0.71 0.00 0.00 39.64 37.93 3dky n ILE 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3dky s LYS 121 N -0.82 3.18 -0.43 0.38 1.02 0.41 -4.95 119.74 118.53 3dky s LYS 121 Ca 0.66 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.79 3dky s LYS 121 Cb -0.68 -2.65 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 3dky s LYS 121 CO 0.54 -0.05 0.28 -0.51 -0.92 0.00 0.00 175.35 174.69 3dky s LEU 122 N 0.98 5.23 0.15 3.17 1.43 -1.26 0.05 118.68 128.42 3dky s LEU 122 Ca -0.02 -1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 51.38 3dky s LEU 122 Cb -0.15 -2.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 3dky s LEU 122 CO -0.03 -0.55 0.72 -0.63 0.23 0.00 0.00 176.35 176.09 3dky s ILE 123 N 1.47 4.48 -1.36 -0.59 -1.09 0.44 -4.32 121.20 120.22 3dky s ILE 123 Ca 0.03 1.55 -0.09 0.00 -2.23 0.00 0.00 60.65 59.91 3dky s ILE 123 Cb -0.23 -4.06 0.06 0.00 -1.58 0.00 0.00 42.46 36.65 3dky s ILE 123 CO 0.03 0.51 0.56 0.59 -1.23 0.00 0.00 174.94 175.40 3dky n ASN 124 N 1.56 -4.27 -0.78 3.58 3.02 -1.26 -1.94 115.26 115.16 3dky n ASN 124 Ca -0.07 -0.41 -0.06 0.00 -0.03 0.00 0.00 54.58 54.02 3dky n ASN 124 Cb 0.49 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 3dky n ASN 124 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dky n ASN 125 N -2.39 -2.50 -4.61 6.41 4.13 -1.26 -4.54 115.26 110.50 3dky n ASN 125 Ca -0.03 -0.03 -0.46 0.00 1.68 0.00 0.00 54.58 55.74 3dky n ASN 125 Cb 0.55 -1.69 -0.02 0.00 -1.54 0.00 0.00 39.78 37.08 3dky n ASN 125 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3dky n PHE 126 N -3.83 1.57 -3.61 3.10 -0.00 -1.20 -4.98 117.46 108.50 3dky n PHE 126 Ca -0.05 0.62 -0.25 0.00 -0.00 0.00 0.00 57.45 57.77 3dky n PHE 126 Cb 0.54 -2.32 -0.17 0.00 -0.00 0.00 0.00 39.48 37.53 3dky n PHE 126 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3dky s ASP 127 N -0.20 2.23 0.61 -2.13 2.15 -1.26 -4.95 116.67 113.12 3dky s ASP 127 Ca 0.64 -0.55 0.31 0.00 0.43 0.00 0.00 52.55 53.38 3dky s ASP 127 Cb -0.72 -0.22 1.81 0.00 -0.30 0.00 0.00 42.92 43.49 3dky s ASP 127 CO 0.56 -0.34 2.17 -0.29 -0.17 0.00 0.00 175.17 177.10 3dky h ILE 128 N 6.42 0.38 -0.30 4.11 6.09 -2.01 -0.56 117.51 131.64 3dky h ILE 128 Ca -0.15 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.38 3dky h ILE 128 Cb 1.15 0.89 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 3dky h ILE 128 CO 0.28 0.00 0.09 0.44 -3.07 0.00 0.00 178.15 175.89 3dky h ASP 129 N 0.00 0.08 0.00 2.19 3.32 -1.95 -1.72 116.42 118.34 3dky h ASP 129 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dky h ASP 129 Cb 0.30 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3dky h ASP 129 CO -0.00 0.08 0.00 -2.11 -1.72 0.00 0.00 179.24 175.49 3dky n ARG 130 N -5.05 0.09 0.00 3.56 1.85 -0.22 -2.16 116.66 114.74 3dky n ARG 130 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 3dky n ARG 130 Cb 0.12 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.06 3dky n ARG 130 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dky n TYR 131 N -0.93 0.00 -3.60 2.89 4.01 -0.65 -4.82 117.16 114.06 3dky n TYR 131 Ca 0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 3dky n TYR 131 Cb 0.01 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 3dky n TYR 131 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dky s VAL 132 N -1.57 4.56 0.93 -0.72 -7.23 -0.92 -4.81 120.40 110.64 3dky s VAL 132 Ca 0.03 -3.71 -0.14 0.00 -1.81 0.00 0.00 61.98 56.35 3dky s VAL 132 Cb 0.05 -3.82 0.19 0.00 0.56 0.00 0.00 36.38 33.36 3dky s VAL 132 CO 0.27 -1.08 1.28 0.28 -0.31 0.00 0.00 175.10 175.53 3dky s THR 133 N -1.21 2.02 0.08 5.32 -1.32 -1.26 -5.02 115.64 114.24 3dky s THR 133 Ca 0.27 -0.07 0.04 0.00 -1.21 0.00 0.00 61.69 60.71 3dky s THR 133 Cb -0.09 -2.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.93 3dky s THR 133 CO -0.11 0.00 -0.11 -1.48 -2.21 0.00 0.00 174.62 170.71 3dky s LEU 134 N -5.79 2.33 0.69 9.08 0.05 -1.26 -5.13 118.68 118.65 3dky s LEU 134 Ca 0.73 -0.69 -0.17 0.00 0.05 0.00 0.00 54.13 54.06 3dky s LEU 134 Cb -0.04 -0.36 -0.02 0.00 -2.05 0.00 0.00 46.19 43.72 3dky s LEU 134 CO 0.52 -0.18 0.84 0.47 -0.55 0.00 0.00 176.35 177.45 3dky n ASP 135 N 1.01 0.06 -0.29 1.48 8.00 -1.26 -4.79 116.55 120.76 3dky n ASP 135 Ca -0.19 0.68 -0.02 0.00 0.71 0.00 0.00 54.79 55.97 3dky n ASP 135 Cb 0.56 -1.35 0.15 0.00 -0.02 0.00 0.00 41.12 40.46 3dky n ASP 135 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dky h VAL 136 N -0.10 1.24 -0.74 2.53 2.07 -2.00 -2.17 116.25 117.07 3dky h VAL 136 Ca -0.47 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 3dky h VAL 136 Cb 1.35 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3dky h VAL 136 CO 0.47 0.25 0.41 -0.33 0.02 0.00 0.00 177.57 178.39 3dky h GLU 137 N 1.18 1.03 -0.09 1.57 4.39 -2.00 -2.39 114.58 118.28 3dky h GLU 137 Ca 0.31 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.93 3dky h GLU 137 Cb -0.04 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.36 3dky h GLU 137 CO -0.06 0.76 -0.15 0.93 -1.16 0.00 0.00 179.01 179.33 3dky h GLU 138 N 1.02 -0.20 -0.45 2.33 5.08 -1.75 0.22 114.58 120.83 3dky h GLU 138 Ca 0.26 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3dky h GLU 138 Cb 0.03 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 3dky h GLU 138 CO -0.04 -0.13 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.32 3dky h LYS 139 N -0.21 -0.19 -0.49 2.33 3.64 -0.95 0.93 116.57 121.63 3dky h LYS 139 Ca 0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3dky h LYS 139 Cb 0.32 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3dky h LYS 139 CO -0.21 -0.13 0.24 1.15 -2.27 0.00 0.00 179.45 178.23 3dky h THR 140 N -0.20 0.94 0.01 1.00 2.02 -0.75 -0.11 112.91 115.81 3dky h THR 140 Ca 0.20 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3dky h THR 140 Cb 0.52 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3dky h THR 140 CO -0.56 0.09 -0.17 -0.08 0.37 0.00 0.00 175.52 175.17 3dky h GLU 141 N 0.47 -0.27 -0.52 6.66 4.81 0.94 -2.12 114.58 124.54 3dky h GLU 141 Ca 0.22 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3dky h GLU 141 Cb 0.14 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3dky h GLU 141 CO -0.16 -0.18 0.02 -0.07 -0.73 0.00 0.00 179.01 177.89 3dky h LEU 142 N -0.28 0.84 -0.96 1.64 3.38 -0.45 -2.06 115.31 117.41 3dky h LEU 142 Ca 0.05 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3dky h LEU 142 Cb 0.35 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3dky h LEU 142 CO -0.16 0.89 0.62 0.15 0.09 0.00 0.00 178.44 180.03 3dky h PHE 143 N 0.81 1.15 0.00 1.13 3.57 -0.64 0.10 116.94 123.06 3dky h PHE 143 Ca 0.16 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3dky h PHE 143 Cb 0.45 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3dky h PHE 143 CO 0.03 0.60 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.51 3dky h ASN 144 N 1.13 0.00 -0.10 0.41 -0.26 -0.72 0.37 115.58 116.41 3dky h ASN 144 Ca 0.41 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.07 3dky h ASN 144 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3dky h ASN 144 CO -0.16 0.28 -0.27 0.58 -1.06 0.00 0.00 177.43 176.80 3dky h VAL 145 N 0.00 1.40 -0.55 2.81 2.07 -0.85 -2.53 116.25 118.60 3dky h VAL 145 Ca -0.00 -1.61 0.08 0.00 0.82 0.00 0.00 66.70 65.99 3dky h VAL 145 Cb 0.65 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 3dky h VAL 145 CO 0.04 0.46 0.37 0.58 0.02 0.00 0.00 177.57 179.04 3dky h VAL 146 N -0.10 0.93 0.00 2.57 2.07 0.23 0.53 116.25 122.48 3dky h VAL 146 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3dky h VAL 146 Cb 0.89 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3dky h VAL 146 CO 0.06 0.08 0.00 0.52 0.02 0.00 0.00 177.57 178.25 3dky n VAL 147 N -4.47 0.00 -0.40 2.57 0.31 0.01 -0.88 118.33 115.47 3dky n VAL 147 Ca 0.08 1.21 0.37 0.00 -0.01 0.00 0.00 64.34 65.99 3dky n VAL 147 Cb 0.31 -2.19 0.71 0.00 -0.91 0.00 0.00 33.84 31.77 3dky n VAL 147 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3dky h SER 148 N 0.00 0.10 -0.28 4.52 4.64 -1.03 0.64 113.55 122.14 3dky h SER 148 Ca 0.00 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3dky h SER 148 Cb 0.00 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3dky h SER 148 CO 0.00 -0.01 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.77 3dky h LEU 149 N 0.07 0.59 -0.87 5.97 3.38 0.33 0.09 115.31 124.87 3dky h LEU 149 Ca 0.66 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3dky h LEU 149 Cb 2.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.01 3dky h LEU 149 CO -0.10 0.85 -0.46 0.40 0.09 0.00 0.00 178.44 179.21 3dky h ILE 150 N 0.32 1.33 0.22 1.22 2.04 0.21 -2.67 117.51 120.19 3dky h ILE 150 Ca 0.07 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3dky h ILE 150 Cb 0.61 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3dky h ILE 150 CO 0.04 0.49 -0.10 0.03 0.00 0.00 0.00 178.15 178.60 3dky h ARG 151 N 0.19 -0.28 -0.75 2.37 3.08 -0.84 -1.70 114.38 116.44 3dky h ARG 151 Ca 0.01 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.17 3dky h ARG 151 Cb 0.89 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.89 3dky h ARG 151 CO 0.07 -0.19 -0.51 0.00 -1.07 0.00 0.00 179.97 178.28 3dky h ALA 152 N -1.83 -0.42 -0.56 0.04 0.00 -1.00 -2.19 119.26 113.29 3dky h ALA 152 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dky h ALA 152 Cb 0.22 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3dky h ALA 152 CO 0.05 -0.89 0.00 0.66 0.00 0.00 0.00 179.25 179.07 3dky n TYR 153 N -5.36 1.09 -4.05 0.00 4.01 -1.01 -4.94 117.16 106.90 3dky n TYR 153 Ca 0.02 -0.46 -0.27 0.00 -0.16 0.00 0.00 57.90 57.02 3dky n TYR 153 Cb 0.32 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.18 3dky n TYR 153 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3dky n THR 154 N 1.03 -2.48 -2.30 -0.72 -1.04 -0.66 -4.85 114.28 103.26 3dky n THR 154 Ca 0.21 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 3dky n THR 154 Cb 0.67 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 3dky n THR 154 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dky s LEU 155 N -7.08 4.26 0.00 -4.42 1.43 -1.08 -4.90 118.68 106.89 3dky s LEU 155 Ca 0.04 1.93 0.26 0.00 -1.03 0.00 0.00 54.13 55.33 3dky s LEU 155 Cb -0.02 -3.55 0.71 0.00 0.03 0.00 0.00 46.19 43.36 3dky s LEU 155 CO 0.92 -0.75 1.55 0.00 0.23 0.00 0.00 176.35 178.30 3dky n GLN 156 N 6.12 0.16 -3.62 1.70 6.02 -1.26 -4.73 117.38 121.76 3dky n GLN 156 Ca 0.14 -0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 57.03 3dky n GLN 156 Cb 0.44 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 3dky n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dky s ASN 157 N -2.90 -0.05 0.60 1.08 2.20 -1.26 -4.53 114.94 110.08 3dky s ASN 157 Ca 0.15 -0.01 0.29 0.00 -0.94 0.00 0.00 52.86 52.35 3dky s ASN 157 Cb 0.18 0.06 1.65 0.00 -2.00 0.00 0.00 41.25 41.14 3dky s ASN 157 CO 0.63 -0.10 2.05 -0.29 -2.94 0.00 0.00 177.10 176.45 3dky h ILE 158 N 2.00 0.39 -0.04 0.54 2.10 -1.98 0.13 117.51 120.65 3dky h ILE 158 Ca -0.08 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.84 3dky h ILE 158 Cb 1.15 0.78 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 3dky h ILE 158 CO 0.21 0.00 -0.03 -0.26 -1.08 0.00 0.00 178.15 176.99 3dky h PHE 159 N 0.00 0.12 0.00 2.19 0.05 -1.99 0.65 116.94 117.96 3dky h PHE 159 Ca 0.10 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.86 3dky h PHE 159 Cb 0.63 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.55 3dky h PHE 159 CO 0.00 0.53 -0.02 -0.44 -0.18 0.00 0.00 178.31 178.20 3dky h ASP 160 N -0.33 0.00 0.15 2.17 5.19 -1.22 -0.37 116.42 122.01 3dky h ASP 160 Ca 0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3dky h ASP 160 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3dky h ASP 160 CO 0.01 0.02 -0.07 0.25 -3.12 0.00 0.00 179.24 176.32 3dky h LEU 161 N 0.00 -0.17 0.17 1.55 5.85 -0.76 -2.55 115.31 119.39 3dky h LEU 161 Ca -0.00 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3dky h LEU 161 Cb 0.03 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3dky h LEU 161 CO 0.00 0.21 -0.33 1.88 -0.34 0.00 0.00 178.44 179.87 3dky h TYR 162 N -0.59 -0.90 -0.97 1.25 0.05 -0.42 -1.01 116.97 114.37 3dky h TYR 162 Ca -0.02 0.02 0.28 0.00 0.05 0.00 0.00 58.73 59.06 3dky h TYR 162 Cb 0.45 0.37 -0.14 0.00 1.01 0.00 0.00 36.73 38.42 3dky h TYR 162 CO 0.04 -0.44 0.50 -0.44 -1.05 0.00 0.00 178.16 176.77 3dky h ASP 163 N -0.59 0.43 -0.00 3.88 3.45 -1.16 0.39 116.42 122.82 3dky h ASP 163 Ca 0.02 0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 3dky h ASP 163 Cb 0.59 0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.51 3dky h ASP 163 CO -0.16 -0.09 -0.00 0.15 -1.57 0.00 0.00 179.24 177.57 3dky h PHE 164 N 0.35 0.00 -0.84 4.55 3.04 -0.90 -2.97 116.94 120.18 3dky h PHE 164 Ca 0.67 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.64 3dky h PHE 164 Cb 1.45 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.91 3dky h PHE 164 CO -0.07 0.32 0.55 0.82 -2.02 0.00 0.00 178.31 177.92 3dky h ILE 165 N -0.32 1.17 -0.64 1.41 1.08 0.25 -2.22 117.51 118.25 3dky h ILE 165 Ca 0.00 -0.37 0.13 0.00 -0.39 0.00 0.00 64.86 64.23 3dky h ILE 165 Cb 0.32 -0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.95 3dky h ILE 165 CO 0.00 0.20 -0.00 0.44 -0.69 0.00 0.00 178.15 178.10 3dky h ASP 166 N 1.09 -0.29 0.00 1.72 3.45 -0.17 0.54 116.42 122.76 3dky h ASP 166 Ca 0.32 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.94 3dky h ASP 166 Cb -0.05 0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3dky h ASP 166 CO -0.08 -0.13 0.00 -0.62 -1.57 0.00 0.00 179.24 176.84 3dky n GLU 167 N -5.29 0.00 -0.07 3.56 1.02 -0.99 -4.43 120.64 114.43 3dky n GLU 167 Ca 0.10 0.35 0.03 0.00 -0.02 0.00 0.00 57.16 57.62 3dky n GLU 167 Cb 0.37 -0.85 0.10 0.00 -0.02 0.00 0.00 31.44 31.04 3dky n GLU 167 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dky n ASN 168 N -1.55 0.81 -0.18 1.62 4.13 -0.87 -4.42 115.26 114.80 3dky n ASN 168 Ca 0.00 -1.96 -0.10 0.00 1.68 0.00 0.00 54.58 54.20 3dky n ASN 168 Cb 0.00 -0.10 -0.08 0.00 -1.54 0.00 0.00 39.78 38.06 3dky n ASN 168 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3dky h GLY 169 N 5.63 -1.22 0.13 7.41 0.00 -1.00 -1.56 103.07 112.46 3dky h GLY 169 Ca 0.00 0.79 0.22 0.00 0.00 0.00 0.00 47.33 48.33 3dky h GLY 169 CO 0.00 -0.23 0.62 0.83 0.00 0.00 0.00 176.54 177.76 3dky h GLU 170 N -0.21 0.51 -0.77 4.80 5.08 -1.77 0.00 114.58 122.21 3dky h GLU 170 Ca 0.08 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 3dky h GLU 170 Cb 0.42 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3dky h GLU 170 CO -0.56 0.34 0.51 1.15 -1.00 0.00 0.00 179.01 179.45 3dky h THR 171 N 0.52 0.84 -0.01 1.13 2.02 -1.62 0.21 112.91 116.01 3dky h THR 171 Ca 0.54 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.54 3dky h THR 171 Cb 1.17 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3dky h THR 171 CO -0.27 0.10 -0.62 -1.22 0.37 0.00 0.00 175.52 173.88 3dky n TYR 172 N -4.50 0.00 -1.77 3.16 4.02 -0.12 -4.98 117.16 112.97 3dky n TYR 172 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3dky n TYR 172 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 3dky n TYR 172 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dky n GLY 173 N 1.39 0.72 3.68 2.72 0.00 0.75 -5.08 105.19 109.36 3dky n GLY 173 Ca 0.07 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3dky n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dky s LEU 174 N -0.20 3.41 0.00 0.99 1.43 -1.01 -4.97 118.68 118.34 3dky s LEU 174 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3dky s LEU 174 Cb 0.00 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3dky s LEU 174 CO 0.00 0.16 0.01 0.35 0.23 0.00 0.00 176.35 177.11 3dky n THR 175 N 0.48 0.00 0.25 5.49 -2.24 -1.26 -3.69 114.28 113.32 3dky n THR 175 Ca -0.11 -2.18 -0.11 0.00 -2.27 0.00 0.00 64.05 59.38 3dky n THR 175 Cb 0.52 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 3dky n THR 175 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3dky h ILE 176 N 1.28 0.00 0.00 2.28 1.08 -1.94 -2.58 117.51 117.63 3dky h ILE 176 Ca -0.37 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3dky h ILE 176 Cb 1.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3dky h ILE 176 CO 0.62 0.00 0.08 0.59 -0.69 0.00 0.00 178.15 178.75 3dky n ASN 177 N -4.89 0.00 -0.10 1.72 3.02 -1.26 -1.24 115.26 112.51 3dky n ASN 177 Ca -0.09 0.30 -0.22 0.00 -0.03 0.00 0.00 54.58 54.54 3dky n ASN 177 Cb 0.27 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 3dky n ASN 177 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3dky n LEU 178 N -1.28 2.50 -0.05 3.41 7.94 -1.16 -3.51 117.00 124.85 3dky n LEU 178 Ca 0.00 0.13 -0.09 0.00 -1.11 0.00 0.00 56.01 54.94 3dky n LEU 178 Cb 0.08 -0.94 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 3dky n LEU 178 CO 0.00 0.74 0.65 0.58 -1.11 0.00 0.00 177.39 178.25 3dky h VAL 179 N -0.37 0.29 -0.95 1.96 2.07 -0.76 -0.77 116.25 117.73 3dky h VAL 179 Ca -0.55 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.26 3dky h VAL 179 Cb 1.78 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 31.68 3dky h VAL 179 CO -0.15 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.55 3dky h ASN 180 N -0.32 0.09 1.55 0.57 2.35 -1.58 0.93 115.58 119.17 3dky h ASN 180 Ca 0.13 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3dky h ASN 180 Cb 0.53 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3dky h ASN 180 CO -0.42 -0.23 -0.17 -0.08 -1.65 0.00 0.00 177.43 174.88 3dky h GLU 181 N 0.17 0.00 0.00 0.81 4.81 -1.39 -2.82 114.58 116.16 3dky h GLU 181 Ca 0.65 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 3dky h GLU 181 Cb 1.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3dky h GLU 181 CO -0.71 0.00 -0.27 0.28 -0.73 0.00 0.00 179.01 177.59 3dky h VAL 182 N 0.00 0.52 0.00 0.32 2.07 0.21 -3.35 116.25 116.02 3dky h VAL 182 Ca 0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3dky h VAL 182 Cb 0.86 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3dky h VAL 182 CO 0.00 0.18 0.00 0.16 0.02 0.00 0.00 177.57 177.93 3dky h ILE 183 N -1.00 0.00 -2.45 4.57 3.07 -0.35 -3.43 117.51 117.92 3dky h ILE 183 Ca -0.04 -0.35 -0.61 0.00 1.55 0.00 0.00 64.86 65.41 3dky h ILE 183 Cb 0.50 1.18 0.11 0.00 -0.27 0.00 0.00 36.82 38.33 3dky h ILE 183 CO -0.03 0.00 0.14 0.00 -1.05 0.00 0.00 178.15 177.21 3dky n ALA 184 N -1.86 -0.23 0.00 0.16 0.00 -1.06 -1.61 120.51 115.91 3dky n ALA 184 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dky n ALA 184 Cb 0.28 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3dky n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dky n GLY 185 N 1.26 1.48 0.75 0.00 0.00 -1.26 -4.68 105.19 102.74 3dky n GLY 185 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3dky n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dky n LYS 186 N 0.00 0.61 -0.02 1.61 4.76 -0.63 -4.28 118.16 120.20 3dky n LYS 186 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 3dky n LYS 186 Cb 0.00 -1.25 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 3dky n LYS 186 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3dky h THR 187 N 0.19 0.97 -0.10 -0.18 1.35 -1.83 -2.05 112.91 111.26 3dky h THR 187 Ca 0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.82 3dky h THR 187 Cb 0.45 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3dky h THR 187 CO 0.00 0.02 -0.06 0.61 -0.25 0.00 0.00 175.52 175.84 3dky n GLY 188 N -1.15 -2.40 0.33 5.82 0.00 -1.26 0.10 105.19 106.63 3dky n GLY 188 Ca -0.04 0.52 0.25 0.00 0.00 0.00 0.00 46.02 46.76 3dky n GLY 188 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dky h PHE 189 N 0.00 0.70 0.37 1.61 3.04 -1.76 -0.77 116.94 120.13 3dky h PHE 189 Ca 0.02 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 3dky h PHE 189 Cb 0.04 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3dky h PHE 189 CO -0.75 -0.34 -0.34 0.52 -2.02 0.00 0.00 178.31 175.38 3dky h MET 190 N 0.13 -0.69 -1.23 1.11 2.86 0.13 -2.39 114.93 114.85 3dky h MET 190 Ca 0.75 0.05 0.35 0.00 -2.06 0.00 0.00 59.70 58.79 3dky h MET 190 Cb 1.81 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 33.56 3dky h MET 190 CO -0.72 -0.46 0.86 -0.22 1.06 0.00 0.00 176.91 177.42 3dky h LYS 191 N -0.72 0.09 -0.36 1.72 1.63 -0.54 0.31 116.57 118.70 3dky h LYS 191 Ca -0.03 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 3dky h LYS 191 Cb 0.64 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 3dky h LYS 191 CO -0.05 0.06 -0.14 -0.07 -3.45 0.00 0.00 179.45 175.81 3dky h LEU 192 N 0.09 0.75 -0.23 5.20 4.07 -1.38 -1.63 115.31 122.19 3dky h LEU 192 Ca 0.62 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 3dky h LEU 192 Cb 2.24 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.76 3dky h LEU 192 CO -0.10 0.97 0.06 -0.07 -1.08 0.00 0.00 178.44 178.22 3dky h LEU 193 N 0.53 0.35 -0.13 1.67 3.38 -0.24 -0.32 115.31 120.54 3dky h LEU 193 Ca 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dky h LEU 193 Cb 0.67 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dky h LEU 193 CO 0.05 0.47 0.00 0.49 0.09 0.00 0.00 178.44 179.54 3dky n PHE 194 N -4.75 0.16 -0.05 1.13 3.72 -0.11 -0.71 117.46 116.85 3dky n PHE 194 Ca -0.03 0.06 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3dky n PHE 194 Cb 0.16 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 37.96 3dky n PHE 194 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dky n ASP 195 N -1.65 0.94 0.14 4.37 8.00 -0.62 -2.45 116.55 125.28 3dky n ASP 195 Ca 0.03 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 3dky n ASP 195 Cb 0.19 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 3dky n ASP 195 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3dky h GLY 196 N 3.10 -0.84 -0.20 0.44 0.00 -0.22 0.18 103.07 105.53 3dky h GLY 196 Ca -0.42 0.37 0.15 0.00 0.00 0.00 0.00 47.33 47.42 3dky h GLY 196 CO 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 176.54 176.29 3dky h ALA 197 N -1.49 0.66 0.48 3.60 0.00 -1.07 0.23 119.26 121.68 3dky h ALA 197 Ca -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dky h ALA 197 Cb 0.37 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dky h ALA 197 CO 0.00 -0.41 -0.32 -0.92 0.00 0.00 0.00 179.25 177.61 3dky h TYR 198 N 0.10 -0.85 0.00 0.00 3.20 -1.11 -1.42 116.97 116.90 3dky h TYR 198 Ca 0.36 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3dky h TYR 198 Cb 0.60 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3dky h TYR 198 CO -0.40 -0.46 0.00 0.00 -1.64 0.00 0.00 178.16 175.65 3dky n GLN 199 N -4.32 0.02 0.06 1.82 10.64 0.60 -1.53 117.38 124.67 3dky n GLN 199 Ca -0.09 0.33 -0.21 0.00 -1.83 0.00 0.00 57.00 55.20 3dky n GLN 199 Cb 0.32 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.05 3dky n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 3dky h ARG 200 N 0.00 0.33 0.00 2.61 9.65 0.12 -3.28 114.38 123.82 3dky h ARG 200 Ca 0.00 -0.57 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 3dky h ARG 200 Cb 0.13 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3dky h ARG 200 CO 0.00 1.27 0.00 0.66 2.80 0.00 0.00 179.97 184.70 3dky h SER 201 N -0.27 0.00 0.51 -3.80 4.64 -0.22 -2.60 113.55 111.81 3dky h SER 201 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dky h SER 201 Cb 1.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 3dky h SER 201 CO 0.16 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.29 3dky n LYS 202 N -3.08 0.10 0.14 4.77 4.81 -0.87 -3.14 118.16 120.88 3dky n LYS 202 Ca 0.02 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3dky n LYS 202 Cb 0.37 -1.50 0.14 0.00 0.02 0.00 0.00 35.03 34.06 3dky n LYS 202 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3dky h ARG 203 N 0.00 0.00 -0.03 1.64 2.43 -1.56 -3.51 114.38 113.35 3dky h ARG 203 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dky h ARG 203 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3dky h ARG 203 CO 0.00 0.60 0.00 0.41 -1.51 0.00 0.00 179.97 179.47