#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 1.55 0.09 5.31 1.02 -1.26 -3.99 119.74 122.47 3dky s LYS 5 Ca 0.00 -1.30 -0.26 0.00 0.02 0.00 0.00 55.97 54.42 3dky s LYS 5 Cb 0.00 -1.97 0.08 0.00 -0.52 0.00 0.00 37.83 35.41 3dky s LYS 5 CO 0.00 0.46 0.86 0.00 -0.92 0.00 0.00 175.35 175.75 3dky s ALA 6 N -1.15 -1.69 -0.15 5.17 0.00 -0.02 -4.89 121.76 119.02 3dky s ALA 6 Ca 0.16 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.72 3dky s ALA 6 Cb -0.10 0.59 -0.23 0.00 0.00 0.00 0.00 23.12 23.38 3dky s ALA 6 CO 0.08 -0.85 0.23 0.54 0.00 0.00 0.00 175.76 175.76 3dky n ARG 7 N -0.36 0.69 -3.75 0.00 1.74 -1.26 -2.23 116.66 111.49 3dky n ARG 7 Ca -0.09 0.19 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 3dky n ARG 7 Cb 0.62 -1.64 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.54 3.17 0.28 -1.55 2.02 -1.26 -0.83 117.35 116.63 3dky s TYR 8 Ca -0.19 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 3dky s TYR 8 Cb 0.07 -2.25 -0.06 0.00 -0.40 0.00 0.00 41.96 39.32 3dky s TYR 8 CO 0.75 -0.19 0.05 -0.06 -1.57 0.00 0.00 175.55 174.53 3dky s PHE 9 N 1.41 1.73 0.04 2.71 0.40 -0.35 0.27 117.98 124.19 3dky s PHE 9 Ca 0.06 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.36 3dky s PHE 9 Cb -0.15 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 3dky s PHE 9 CO 0.05 -0.10 0.02 -0.08 0.70 0.00 0.00 175.22 175.82 3dky s THR 10 N -3.45 0.16 0.34 0.64 -1.32 -0.38 -1.06 115.64 110.57 3dky s THR 10 Ca 0.34 -1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 59.34 3dky s THR 10 Cb 0.07 -1.01 0.04 0.00 -1.51 0.00 0.00 72.50 70.09 3dky s THR 10 CO 0.13 -0.73 0.72 0.72 -2.21 0.00 0.00 174.62 173.25 3dky s PHE 11 N -2.91 0.12 -0.06 9.09 -0.12 -1.05 -1.45 117.98 121.59 3dky s PHE 11 Ca -0.02 -0.68 0.03 0.00 -0.05 0.00 0.00 56.93 56.21 3dky s PHE 11 Cb 0.01 0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 3dky s PHE 11 CO -0.06 -1.40 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.07 3dky s LEU 12 N -3.04 2.79 -0.17 -1.99 1.02 -1.26 -0.89 118.68 115.15 3dky s LEU 12 Ca 0.16 -0.19 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 3dky s LEU 12 Cb -0.05 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 3dky s LEU 12 CO 0.11 0.32 0.00 -0.76 0.02 0.00 0.00 176.35 176.05 3dky s LEU 13 N -0.60 3.45 -0.23 1.79 1.43 -0.17 -4.15 118.68 120.20 3dky s LEU 13 Ca 0.09 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3dky s LEU 13 Cb -0.11 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3dky s LEU 13 CO 0.01 0.15 0.11 -0.31 0.23 0.00 0.00 176.35 176.55 3dky s TYR 14 N 0.47 3.21 0.55 0.29 1.51 -1.16 -0.81 117.35 121.41 3dky s TYR 14 Ca -0.01 -0.03 0.22 0.00 -1.01 0.00 0.00 57.07 56.25 3dky s TYR 14 Cb -0.14 -2.22 1.52 0.00 -0.11 0.00 0.00 41.96 41.01 3dky s TYR 14 CO 0.02 -0.08 2.19 -1.35 -1.11 0.00 0.00 175.55 175.22 3dky h PRO 15 N 7.65 0.00 0.00 -1.71 0.11 -1.91 -1.79 132.00 134.35 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dky h PRO 15 CO 0.63 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.47 3dky h GLU 16 N 0.00 0.00 -0.29 1.05 -0.00 -1.94 -3.27 114.58 110.13 3dky h GLU 16 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.14 3dky h GLU 16 Cb 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 28.75 28.54 3dky h GLU 16 CO -0.00 0.00 -0.78 -1.13 -0.00 0.00 0.00 179.01 177.10 3dky n SER 17 N -2.43 2.54 -3.90 3.06 3.41 -0.69 -5.01 113.62 110.60 3dky n SER 17 Ca 0.05 -3.26 -0.13 0.00 -0.26 0.00 0.00 58.87 55.27 3dky n SER 17 Cb 0.44 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.16 0.14 1.16 -1.33 -4.36 -1.08 -3.88 121.20 108.69 3dky s ILE 18 Ca 0.40 -0.10 -0.15 0.00 -0.26 0.00 0.00 60.65 60.54 3dky s ILE 18 Cb 0.38 -0.13 0.23 0.00 1.25 0.00 0.00 42.46 44.19 3dky s ILE 18 CO -0.05 0.02 0.68 -2.65 0.24 0.00 0.00 174.94 173.18 3dky n PRO 19 N 2.99 -2.22 0.13 0.37 -0.02 -1.26 -4.89 135.00 130.09 3dky n PRO 19 Ca -0.13 -0.62 -0.00 0.00 -2.02 0.00 0.00 63.50 60.73 3dky n PRO 19 Cb 0.59 -2.01 0.10 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.50 0.00 -0.38 2.55 4.64 -2.01 -3.03 113.55 112.82 3dky h SER 20 Ca -0.59 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.67 3dky h SER 20 Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 3dky h SER 20 CO 0.46 0.63 0.07 -0.90 -0.87 0.00 0.00 176.83 176.22 3dky n ASP 21 N -3.48 3.72 -0.21 4.97 5.75 -1.26 -4.54 116.55 121.49 3dky n ASP 21 Ca 0.00 -2.62 0.01 0.00 -0.01 0.00 0.00 54.79 52.17 3dky n ASP 21 Cb 0.70 -0.63 0.12 0.00 -1.03 0.00 0.00 41.12 40.29 3dky n ASP 21 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3dky h TRP 22 N 2.01 0.37 -0.71 2.11 5.08 -1.87 0.88 115.95 123.83 3dky h TRP 22 Ca 0.07 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.07 3dky h TRP 22 Cb 1.51 -0.07 -0.03 0.00 -3.00 0.00 0.00 29.16 27.56 3dky h TRP 22 CO 0.70 0.06 0.42 1.49 -1.28 0.00 0.00 178.44 179.83 3dky h GLU 23 N 0.38 0.95 -0.02 0.12 4.81 -1.87 0.65 114.58 119.59 3dky h GLU 23 Ca 0.33 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.29 3dky h GLU 23 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3dky h GLU 23 CO -0.35 0.67 -0.80 1.25 -0.73 0.00 0.00 179.01 179.06 3dky h LEU 24 N 0.97 0.29 -0.57 1.64 5.85 -1.64 -3.21 115.31 118.63 3dky h LEU 24 Ca 0.25 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 3dky h LEU 24 Cb -0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3dky h LEU 24 CO -0.05 0.97 -0.33 0.11 -0.34 0.00 0.00 178.44 178.80 3dky h LYS 25 N 0.14 0.78 -0.07 1.25 1.57 0.13 -2.49 116.57 117.88 3dky h LYS 25 Ca -0.03 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.31 3dky h LYS 25 Cb 1.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3dky h LYS 25 CO 0.12 1.00 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.68 3dky h LEU 26 N 0.66 0.11 -1.15 2.94 3.38 -1.16 -2.04 115.31 118.05 3dky h LEU 26 Ca 0.07 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3dky h LEU 26 Cb 0.87 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 3dky h LEU 26 CO 0.08 0.37 0.59 -0.08 0.09 0.00 0.00 178.44 179.49 3dky h GLU 27 N 0.10 0.91 -0.54 1.13 4.81 -1.44 -2.53 114.58 117.03 3dky h GLU 27 Ca 0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3dky h GLU 27 Cb 0.51 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3dky h GLU 27 CO 0.04 0.60 0.14 1.79 -0.73 0.00 0.00 179.01 180.85 3dky h THR 28 N 0.94 1.22 -0.01 0.32 1.35 -1.31 -2.96 112.91 112.47 3dky h THR 28 Ca 0.42 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3dky h THR 28 Cb 0.38 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3dky h THR 28 CO -0.18 0.30 0.63 -0.07 -0.25 0.00 0.00 175.52 175.94 3dky h LEU 29 N 0.80 0.00 0.00 3.87 3.38 -1.53 -3.43 115.31 118.40 3dky h LEU 29 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dky h LEU 29 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3dky h LEU 29 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3dky n GLY 30 N -1.35 2.67 3.80 0.83 0.00 -1.12 -4.99 105.19 105.03 3dky n GLY 30 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.23 4.53 0.15 1.61 1.01 -1.26 -4.99 120.40 119.22 3dky s VAL 31 Ca 0.00 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 3dky s VAL 31 Cb 0.00 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3dky s VAL 31 CO 0.00 0.44 1.02 -2.84 0.00 0.00 0.00 175.10 173.72 3dky s PRO 32 N -1.38 4.66 0.09 2.72 0.02 -1.26 -4.65 135.00 135.20 3dky s PRO 32 Ca 0.36 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.98 3dky s PRO 32 Cb -0.20 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 3dky s PRO 32 CO 0.23 0.17 -0.08 -1.64 -0.33 0.00 0.00 177.00 175.34 3dky s MET 33 N -0.24 0.78 -0.08 5.54 -1.94 -0.84 -2.59 119.30 119.94 3dky s MET 33 Ca 0.48 -1.14 0.04 0.00 -1.71 0.00 0.00 55.69 53.36 3dky s MET 33 Cb -0.26 -0.38 -0.00 0.00 2.01 0.00 0.00 34.83 36.20 3dky s MET 33 CO 0.32 0.04 -0.22 0.00 -0.01 0.00 0.00 175.02 175.16 3dky s ALA 34 N -2.63 1.95 -0.10 3.03 0.00 0.12 -0.11 121.76 124.02 3dky s ALA 34 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3dky s ALA 34 Cb -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3dky s ALA 34 CO -0.01 0.29 -0.21 0.42 0.00 0.00 0.00 175.76 176.25 3dky s ILE 35 N 0.22 1.86 1.06 0.00 1.01 0.97 -0.60 121.20 125.72 3dky s ILE 35 Ca -0.12 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 3dky s ILE 35 Cb -0.16 -1.63 0.22 0.00 0.01 0.00 0.00 42.46 40.91 3dky s ILE 35 CO 0.06 0.52 1.07 -0.94 0.00 0.00 0.00 174.94 175.64 3dky s SER 36 N 0.47 1.93 0.83 3.58 1.04 -0.07 -0.71 113.70 120.76 3dky s SER 36 Ca -0.17 1.58 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 3dky s SER 36 Cb -0.17 -2.27 0.09 0.00 0.10 0.00 0.00 66.02 63.77 3dky s SER 36 CO 0.07 -3.62 1.09 -2.84 0.98 0.00 0.00 173.24 168.92 3dky s PRO 37 N -4.64 1.77 -0.32 4.02 0.02 -1.26 -4.66 135.00 129.93 3dky s PRO 37 Ca 0.67 1.08 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 3dky s PRO 37 Cb -0.23 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3dky s PRO 37 CO 0.61 -1.96 2.03 -1.17 -0.33 0.00 0.00 177.00 176.18 3dky s LEU 38 N -6.10 3.45 -1.20 -5.54 0.20 -1.26 -4.72 118.68 103.51 3dky s LEU 38 Ca 0.62 1.44 -0.19 0.00 0.69 0.00 0.00 54.13 56.69 3dky s LEU 38 Cb -0.18 -3.34 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 3dky s LEU 38 CO 0.57 -1.98 1.92 1.41 -0.29 0.00 0.00 176.35 177.97 3dky n HIS 39 N 11.61 3.39 -0.02 5.38 8.25 -0.26 -4.62 115.22 138.96 3dky n HIS 39 Ca 0.27 -2.26 0.09 0.00 -0.26 0.00 0.00 57.72 55.56 3dky n HIS 39 Cb 0.47 -2.46 -0.16 0.00 1.12 0.00 0.00 29.99 28.96 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 9.72 0.04 -2.12 0.41 3.85 -1.26 -2.46 116.55 124.72 3dky n ASP 40 Ca 0.48 0.01 -0.27 0.00 -0.71 0.00 0.00 54.79 54.31 3dky n ASP 40 Cb 0.44 1.82 0.12 0.00 -1.35 0.00 0.00 41.12 42.14 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 -2.34 2.57 -2.34 0.11 5.02 -1.26 -4.52 118.16 115.39 3dky n LYS 41 Ca -0.07 -3.31 -0.43 0.00 -2.02 0.00 0.00 58.31 52.48 3dky n LYS 41 Cb 0.64 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 3dky n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dky s ASP 42 N -1.99 6.74 0.12 4.39 1.01 -1.26 -4.73 116.67 120.95 3dky s ASP 42 Ca 0.58 1.56 -0.32 0.00 0.71 0.00 0.00 52.55 55.08 3dky s ASP 42 Cb 0.48 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.75 3dky s ASP 42 CO 0.03 -0.96 1.78 2.29 0.21 0.00 0.00 175.17 178.52 3dky n LYS 43 N 7.05 2.60 -3.73 8.23 -0.00 -1.26 -0.88 118.16 130.18 3dky n LYS 43 Ca 0.15 0.95 -0.37 0.00 -0.00 0.00 0.00 58.31 59.04 3dky n LYS 43 Cb 0.45 -2.80 -0.06 0.00 -0.00 0.00 0.00 35.03 32.62 3dky n LYS 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3dky s SER 44 N 2.30 6.55 0.00 -5.58 0.15 -1.02 -4.69 113.70 111.41 3dky s SER 44 Ca 0.81 0.65 0.16 0.00 0.70 0.00 0.00 55.95 58.28 3dky s SER 44 Cb -0.55 -2.13 0.47 0.00 -1.71 0.00 0.00 66.02 62.10 3dky s SER 44 CO 0.38 0.36 1.38 -1.54 1.20 0.00 0.00 173.24 175.02 3dky n SER 45 N 1.78 2.66 -4.78 5.45 3.41 -1.26 -4.86 113.62 116.02 3dky n SER 45 Ca -0.17 -1.98 -0.37 0.00 -0.26 0.00 0.00 58.87 56.09 3dky n SER 45 Cb 0.54 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 3dky n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dky s ILE 46 N -1.37 3.94 0.35 -1.33 1.09 -1.26 -5.00 121.20 117.62 3dky s ILE 46 Ca 0.34 1.62 -0.28 0.00 -1.10 0.00 0.00 60.65 61.23 3dky s ILE 46 Cb 0.18 -3.90 -0.09 0.00 -1.06 0.00 0.00 42.46 37.58 3dky s ILE 46 CO 0.24 0.14 1.22 -0.75 -0.10 0.00 0.00 174.94 175.68 3dky s LYS 47 N -2.09 4.30 0.00 2.79 2.20 -1.26 -4.09 119.74 121.59 3dky s LYS 47 Ca 0.52 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 3dky s LYS 47 Cb -0.22 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3dky s LYS 47 CO 0.28 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3dky n GLY 48 N 0.83 2.04 3.67 5.54 0.00 -1.26 -4.96 105.19 111.05 3dky n GLY 48 Ca 0.01 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 3dky n GLY 48 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dky n GLN 49 N 0.00 2.06 -0.05 1.61 7.27 -1.26 -4.97 117.38 122.04 3dky n GLN 49 Ca 0.00 0.73 -0.02 0.00 0.07 0.00 0.00 57.00 57.78 3dky n GLN 49 Cb 0.00 -2.42 -0.02 0.00 2.41 0.00 0.00 30.24 30.22 3dky n GLN 49 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3dky h LYS 50 N 4.57 0.00 -6.51 3.69 3.64 -1.89 -3.43 116.57 116.64 3dky h LYS 50 Ca -0.45 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.29 3dky h LYS 50 Cb 1.27 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 3dky h LYS 50 CO 0.78 0.14 -0.74 0.71 -2.27 0.00 0.00 179.45 178.07 3dky s TYR 51 N -1.67 2.60 0.45 1.91 4.12 -1.26 -2.44 117.35 121.07 3dky s TYR 51 Ca -0.03 -0.23 -0.24 0.00 0.02 0.00 0.00 57.07 56.59 3dky s TYR 51 Cb -0.00 -1.30 -0.07 0.00 -1.52 0.00 0.00 41.96 39.06 3dky s TYR 51 CO 0.10 0.48 1.24 0.15 0.02 0.00 0.00 175.55 177.55 3dky s LYS 52 N -2.64 3.73 0.20 -0.62 1.02 -0.05 -4.69 119.74 116.68 3dky s LYS 52 Ca 0.23 1.98 -0.15 0.00 0.02 0.00 0.00 55.97 58.06 3dky s LYS 52 Cb -0.09 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 3dky s LYS 52 CO 0.14 -0.64 0.16 1.17 -0.92 0.00 0.00 175.35 175.26 3dky n LYS 53 N -0.35 0.00 -2.57 1.68 4.81 -1.26 -4.72 118.16 115.75 3dky n LYS 53 Ca 0.06 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.08 3dky n LYS 53 Cb 0.46 -0.62 -0.03 0.00 0.02 0.00 0.00 35.03 34.86 3dky n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dky s ALA 54 N -0.87 3.33 0.24 3.14 0.00 -1.26 -4.89 121.76 121.44 3dky s ALA 54 Ca 0.38 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 3dky s ALA 54 Cb -0.47 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 3dky s ALA 54 CO 0.37 -0.44 0.26 -3.38 0.00 0.00 0.00 175.76 172.57 3dky s HIS 55 N 1.39 1.04 0.04 0.00 -3.43 -1.03 -4.30 115.29 109.00 3dky s HIS 55 Ca 0.54 -1.26 0.08 0.00 -0.80 0.00 0.00 55.06 53.62 3dky s HIS 55 Cb -0.24 -0.36 -0.03 0.00 -1.43 0.00 0.00 32.58 30.53 3dky s HIS 55 CO 0.26 -0.80 -0.22 0.71 -2.00 0.00 0.00 174.74 172.68 3dky s TYR 56 N -3.93 1.96 -0.13 0.38 2.02 0.01 -1.10 117.35 116.56 3dky s TYR 56 Ca 0.35 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 3dky s TYR 56 Cb 0.04 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3dky s TYR 56 CO 0.14 0.09 0.01 -1.01 -1.57 0.00 0.00 175.55 173.22 3dky s HIS 57 N -0.78 3.17 -0.04 2.71 3.76 -1.26 -1.00 115.29 121.85 3dky s HIS 57 Ca 0.09 0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.10 3dky s HIS 57 Cb -0.09 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 3dky s HIS 57 CO 0.02 0.25 -0.26 0.08 -0.85 0.00 0.00 174.74 173.98 3dky s VAL 58 N -0.17 2.05 -0.27 -0.90 1.01 -0.07 -0.90 120.40 121.16 3dky s VAL 58 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3dky s VAL 58 Cb -0.12 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.57 3dky s VAL 58 CO 0.02 0.58 -0.03 -0.22 0.00 0.00 0.00 175.10 175.45 3dky s LEU 59 N -0.41 3.49 -0.19 3.92 0.20 0.23 -2.54 118.68 123.38 3dky s LEU 59 Ca 0.04 -0.98 0.01 0.00 0.69 0.00 0.00 54.13 53.88 3dky s LEU 59 Cb -0.12 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 43.98 3dky s LEU 59 CO 0.01 -0.18 -0.11 -0.47 -0.29 0.00 0.00 176.35 175.32 3dky s TYR 60 N 1.32 2.32 -0.35 5.38 6.14 -0.22 -0.71 117.35 131.24 3dky s TYR 60 Ca -0.01 -1.49 -0.05 0.00 0.64 0.00 0.00 57.07 56.16 3dky s TYR 60 Cb -0.18 -1.61 0.06 0.00 0.42 0.00 0.00 41.96 40.65 3dky s TYR 60 CO -0.03 -0.72 0.10 0.96 0.64 0.00 0.00 175.55 176.51 3dky s ILE 61 N 1.43 3.54 0.64 3.14 -4.36 -1.07 -1.21 121.20 123.31 3dky s ILE 61 Ca 0.00 -1.36 -0.17 0.00 -0.26 0.00 0.00 60.65 58.87 3dky s ILE 61 Cb -0.15 -3.08 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 3dky s ILE 61 CO -0.09 -0.26 1.17 0.00 0.24 0.00 0.00 174.94 176.00 3dky s ALA 62 N 1.33 2.43 0.10 2.27 0.00 -0.01 -4.14 121.76 123.73 3dky s ALA 62 Ca -0.01 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 3dky s ALA 62 Cb -0.20 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 3dky s ALA 62 CO 0.01 -1.33 1.67 -0.22 0.00 0.00 0.00 175.76 175.89 3dky h LYS 63 N 0.36 -0.41 -6.10 0.00 3.64 -1.96 -3.45 116.57 108.64 3dky h LYS 63 Ca -0.49 0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.32 3dky h LYS 63 Cb 1.28 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 33.06 3dky h LYS 63 CO 0.54 -0.27 -0.71 -0.80 -2.27 0.00 0.00 179.45 175.94 3dky s ASN 64 N -4.84 3.79 -0.28 4.20 0.01 -1.26 -5.08 114.94 111.48 3dky s ASN 64 Ca -0.15 -1.05 -0.32 0.00 -0.71 0.00 0.00 52.86 50.64 3dky s ASN 64 Cb 0.06 -0.39 -0.08 0.00 0.41 0.00 0.00 41.25 41.25 3dky s ASN 64 CO 0.65 -0.07 2.21 -2.65 -1.51 0.00 0.00 177.10 175.73 3dky n PRO 65 N -0.74 1.53 -4.54 -0.60 -0.02 -1.26 -4.72 135.00 124.65 3dky n PRO 65 Ca -0.05 0.41 -0.26 0.00 -2.02 0.00 0.00 63.50 61.58 3dky n PRO 65 Cb 0.61 -2.86 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 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 7.86 0.91 0.43 -1.45 -7.23 -0.95 -4.73 120.40 115.25 3dky s VAL 66 Ca 1.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3dky s VAL 66 Cb -0.59 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 33.89 3dky s VAL 66 CO 0.42 0.00 0.63 0.42 -0.31 0.00 0.00 175.10 176.26 3dky s THR 67 N -3.16 3.81 0.19 5.32 -4.23 -1.26 -0.84 115.64 115.46 3dky s THR 67 Ca 0.25 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 3dky s THR 67 Cb 0.04 -3.38 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3dky s THR 67 CO 0.13 -0.23 1.79 0.00 -0.54 0.00 0.00 174.62 175.77 3dky h ALA 68 N 0.49 0.73 0.00 3.99 0.00 -1.95 -2.90 119.26 119.62 3dky h ALA 68 Ca -0.45 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3dky h ALA 68 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3dky h ALA 68 CO 0.55 -0.06 -0.46 -0.44 0.00 0.00 0.00 179.25 178.84 3dky h ASP 69 N 0.54 0.00 0.53 0.00 5.19 -1.94 -2.44 116.42 118.30 3dky h ASP 69 Ca 0.25 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.61 3dky h ASP 69 Cb 0.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3dky h ASP 69 CO -0.18 0.46 -0.26 0.77 -3.12 0.00 0.00 179.24 176.92 3dky h SER 70 N 0.00 0.00 0.09 6.45 4.64 -1.90 -1.82 113.55 121.01 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 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3dky h SER 70 CO 0.06 0.26 -0.05 0.58 -0.87 0.00 0.00 176.83 176.81 3dky h VAL 71 N 0.00 0.45 -1.07 0.95 2.07 -1.51 -2.69 116.25 114.45 3dky h VAL 71 Ca -0.00 -1.19 0.29 0.00 0.82 0.00 0.00 66.70 66.62 3dky h VAL 71 Cb 0.59 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 3dky h VAL 71 CO 0.03 0.14 0.68 -0.09 0.02 0.00 0.00 177.57 178.35 3dky h ARG 72 N -1.00 0.36 0.00 1.57 2.43 -1.16 0.19 114.38 116.76 3dky h ARG 72 Ca -0.01 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 3dky h ARG 72 Cb 0.33 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3dky h ARG 72 CO 0.02 0.24 -1.41 0.87 -1.51 0.00 0.00 179.97 178.18 3dky h LYS 73 N 0.37 0.00 -0.47 0.20 1.57 -1.47 -2.56 116.57 114.21 3dky h LYS 73 Ca 0.64 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.37 3dky h LYS 73 Cb 1.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 3dky h LYS 73 CO -0.35 0.34 0.10 -0.22 -0.57 0.00 0.00 179.45 178.75 3dky h LYS 74 N 0.00 0.72 0.05 3.15 3.64 -0.35 -2.04 116.57 121.74 3dky h LYS 74 Ca -0.17 -0.14 -0.25 0.00 -1.27 0.00 0.00 60.65 58.82 3dky h LYS 74 Cb 1.65 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 3dky h LYS 74 CO 0.05 0.67 -1.20 0.82 -2.27 0.00 0.00 179.45 177.52 3dky h ILE 75 N 0.69 1.50 0.55 2.00 1.08 -1.10 -3.26 117.51 118.97 3dky h ILE 75 Ca 0.15 -3.18 -0.03 0.00 -0.39 0.00 0.00 64.86 61.42 3dky h ILE 75 Cb 0.29 2.82 0.01 0.00 -3.07 0.00 0.00 36.82 36.86 3dky h ILE 75 CO 0.00 0.89 -0.26 0.11 -0.69 0.00 0.00 178.15 178.19 3dky h LYS 76 N 0.03 -0.71 -0.24 2.37 1.57 -1.27 -1.51 116.57 116.81 3dky h LYS 76 Ca -0.10 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dky h LYS 76 Cb 1.88 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.35 3dky h LYS 76 CO 0.15 -0.42 0.00 1.28 -0.57 0.00 0.00 179.45 179.89 3dky n LEU 77 N -5.35 0.24 0.00 2.94 4.32 -0.78 0.36 117.00 118.72 3dky n LEU 77 Ca -0.12 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 3dky n LEU 77 Cb 0.33 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3dky n LEU 77 CO 0.34 0.06 -0.04 -0.11 -1.22 0.00 0.00 177.39 176.43 3dky n LEU 78 N 0.21 0.00 0.00 2.23 -0.00 -0.89 -4.88 117.00 113.68 3dky n LEU 78 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 3dky n LEU 78 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 3dky n LEU 78 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.57 3dky n LEU 79 N -0.20 0.00 0.00 -1.96 4.77 -0.62 -4.95 117.00 114.04 3dky n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.00 3.33 0.06 -0.72 0.00 0.16 -4.42 105.19 103.59 3dky n GLY 80 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 0.07 0.05 -0.12 1.61 2.13 -1.25 -2.32 120.64 120.81 3dky n GLU 81 Ca 0.00 0.52 0.04 0.00 0.66 0.00 0.00 57.16 58.38 3dky n GLU 81 Cb 0.00 -1.72 0.11 0.00 0.27 0.00 0.00 31.44 30.10 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 -1.74 2.79 0.09 5.31 4.81 -1.26 -4.72 118.16 123.44 3dky n LYS 82 Ca -0.00 -1.87 -0.19 0.00 -0.87 0.00 0.00 58.31 55.38 3dky n LYS 82 Cb 0.07 -1.20 -0.15 0.00 0.02 0.00 0.00 35.03 33.78 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 1.49 0.54 -2.81 3.14 4.64 -1.57 -3.46 113.55 115.52 3dky h SER 83 Ca 0.00 -0.67 -0.12 0.00 -0.47 0.00 0.00 61.79 60.53 3dky h SER 83 Cb 0.66 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3dky h SER 83 CO 0.00 1.54 -0.11 0.00 -0.87 0.00 0.00 176.83 177.40 3dky n LEU 84 N -3.55 0.00 0.00 5.97 -0.00 -1.26 -2.99 117.00 115.17 3dky n LEU 84 Ca -0.16 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.13 3dky n LEU 84 Cb 1.06 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.80 3dky n LEU 84 CO 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 177.39 177.81 3dky n ALA 85 N -2.52 0.00 -3.65 1.47 0.00 -1.26 -5.04 120.51 109.52 3dky n ALA 85 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3dky n ALA 85 Cb 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.04 2.79 -0.36 0.00 -2.45 -1.26 -5.04 119.30 112.94 3dky s MET 86 Ca 0.00 -2.57 -0.08 0.00 -1.25 0.00 0.00 55.69 51.79 3dky s MET 86 Cb 0.00 -3.87 0.04 0.00 1.25 0.00 0.00 34.83 32.25 3dky s MET 86 CO 0.00 -1.20 0.16 0.08 1.05 0.00 0.00 175.02 175.11 3dky s VAL 87 N -0.10 4.14 0.18 10.11 1.01 -1.26 -3.98 120.40 130.49 3dky s VAL 87 Ca 0.18 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3dky s VAL 87 Cb -0.18 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3dky s VAL 87 CO -0.05 -0.23 0.42 -1.10 0.00 0.00 0.00 175.10 174.14 3dky s GLN 88 N 1.46 3.62 -0.21 2.72 1.11 -0.53 -4.96 119.66 122.88 3dky s GLN 88 Ca 0.00 -0.08 -0.13 0.00 0.01 0.00 0.00 55.36 55.16 3dky s GLN 88 Cb -0.20 -2.80 -0.04 0.00 -1.01 0.00 0.00 33.01 28.96 3dky s GLN 88 CO 0.04 0.41 0.29 0.54 0.01 0.00 0.00 175.29 176.58 3dky s VAL 89 N -1.77 5.28 -0.01 1.09 0.11 -1.26 -1.25 120.40 122.59 3dky s VAL 89 Ca 0.42 0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 59.65 3dky s VAL 89 Cb -0.12 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 3dky s VAL 89 CO 0.26 0.32 1.12 -0.69 -3.33 0.00 0.00 175.10 172.78 3dky s VAL 90 N 1.02 4.39 -0.19 2.04 1.01 0.14 -4.92 120.40 123.90 3dky s VAL 90 Ca 0.14 1.71 0.14 0.00 0.00 0.00 0.00 61.98 63.97 3dky s VAL 90 Cb -0.14 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 3dky s VAL 90 CO 0.05 0.07 0.11 0.18 0.00 0.00 0.00 175.10 175.52 3dky n LEU 91 N 4.47 0.73 -3.91 3.92 4.32 -1.26 -4.63 117.00 120.64 3dky n LEU 91 Ca 0.09 0.04 -0.30 0.00 -0.02 0.00 0.00 56.01 55.82 3dky n LEU 91 Cb 0.48 0.15 -0.15 0.00 -1.62 0.00 0.00 43.42 42.27 3dky n LEU 91 CO 0.54 0.57 -0.37 0.21 -1.22 0.00 0.00 177.39 177.12 3dky s ASN 92 N -5.81 4.16 0.35 -1.43 2.47 -1.26 -5.00 114.94 108.42 3dky s ASN 92 Ca -0.14 -1.59 0.08 0.00 0.42 0.00 0.00 52.86 51.63 3dky s ASN 92 Cb 0.07 -1.22 0.65 0.00 -1.45 0.00 0.00 41.25 39.29 3dky s ASN 92 CO 0.79 -0.33 1.84 0.58 -3.72 0.00 0.00 177.10 176.26 3dky h VAL 93 N 6.60 1.22 -0.26 -5.21 2.07 -1.87 -2.09 116.25 116.72 3dky h VAL 93 Ca -0.13 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 3dky h VAL 93 Cb 1.04 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3dky h VAL 93 CO 0.46 0.32 -0.13 -0.08 0.02 0.00 0.00 177.57 178.15 3dky h GLU 94 N 0.26 0.55 -0.85 1.57 4.81 -1.94 -2.46 114.58 116.52 3dky h GLU 94 Ca 0.05 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3dky h GLU 94 Cb 0.51 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3dky h GLU 94 CO 0.03 0.81 0.56 -0.97 -0.73 0.00 0.00 179.01 178.71 3dky h ASN 95 N 0.29 0.97 0.59 1.04 -1.24 -1.90 -1.53 115.58 113.80 3dky h ASN 95 Ca 0.06 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 3dky h ASN 95 Cb 0.64 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3dky h ASN 95 CO 0.04 0.70 -0.26 -0.03 -1.29 0.00 0.00 177.43 176.59 3dky h MET 96 N 1.15 0.00 0.00 6.67 4.05 -1.30 -0.69 114.93 124.80 3dky h MET 96 Ca 0.31 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.56 3dky h MET 96 Cb -0.13 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 3dky h MET 96 CO -0.07 0.26 -0.80 -0.92 0.23 0.00 0.00 176.91 175.61 3dky h TYR 97 N 0.00 0.00 0.00 1.39 3.20 -0.94 -2.37 116.97 118.26 3dky h TYR 97 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3dky h TYR 97 Cb 0.63 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3dky h TYR 97 CO 0.00 0.80 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.10 3dky h LEU 98 N 0.00 0.00 -0.36 2.82 3.38 -0.86 -3.20 115.31 117.09 3dky h LEU 98 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3dky h LEU 98 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3dky h LEU 98 CO 0.10 0.15 -0.41 0.22 0.09 0.00 0.00 178.44 178.59 3dky h TYR 99 N 0.00 0.00 -0.58 1.13 5.03 -0.62 -0.08 116.97 121.84 3dky h TYR 99 Ca -0.00 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.48 3dky h TYR 99 Cb 1.04 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 3dky h TYR 99 CO 0.00 0.41 0.50 -0.07 -1.32 0.00 0.00 178.16 177.68 3dky h LEU 100 N 0.00 0.00 -3.04 2.82 3.38 -1.47 -1.04 115.31 115.95 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 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dky h LEU 100 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3dky n THR 101 N -3.99 1.78 -2.00 0.22 -2.24 -1.11 -4.33 114.28 102.61 3dky n THR 101 Ca 0.11 -1.93 -0.13 0.00 -2.27 0.00 0.00 64.05 59.83 3dky n THR 101 Cb 0.73 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.02 -0.95 -1.10 4.78 8.25 -0.40 -2.18 115.22 122.61 3dky n HIS 102 Ca 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.55 3dky n HIS 102 Cb 0.62 -2.78 0.28 0.00 1.12 0.00 0.00 29.99 29.23 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 -2.44 3.36 -3.44 -0.41 1.02 -0.06 -4.09 120.64 114.58 3dky n GLU 103 Ca -0.15 -3.08 -0.19 0.00 -0.02 0.00 0.00 57.16 53.72 3dky n GLU 103 Cb 0.55 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.31 5.60 0.10 1.62 1.04 -1.17 -4.87 113.70 114.71 3dky s SER 104 Ca 0.53 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.32 3dky s SER 104 Cb 0.43 -0.93 -0.12 0.00 0.10 0.00 0.00 66.02 65.50 3dky s SER 104 CO 0.11 -0.53 1.71 0.11 0.98 0.00 0.00 173.24 175.62 3dky h LYS 105 N 0.93 -0.18 -0.45 4.02 1.57 -1.94 0.18 116.57 120.70 3dky h LYS 105 Ca -0.43 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3dky h LYS 105 Cb 1.26 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.52 3dky h LYS 105 CO 0.53 -0.12 -0.30 0.38 -0.57 0.00 0.00 179.45 179.36 3dky h ASP 106 N -0.19 -1.02 0.37 0.86 2.03 -1.97 -2.63 116.42 113.87 3dky h ASP 106 Ca 0.01 0.19 -0.18 0.00 -0.73 0.00 0.00 57.03 56.32 3dky h ASP 106 Cb 0.19 0.50 -0.01 0.00 -0.83 0.00 0.00 39.33 39.18 3dky h ASP 106 CO -0.03 -0.30 -0.76 0.00 -1.03 0.00 0.00 179.24 177.12 3dky h ALA 107 N 0.90 0.61 -0.37 4.15 0.00 -1.73 -2.87 119.26 119.94 3dky h ALA 107 Ca 0.19 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3dky h ALA 107 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dky h ALA 107 CO -0.57 0.80 -0.20 0.82 0.00 0.00 0.00 179.25 180.11 3dky h ILE 108 N 0.21 1.27 0.00 0.00 2.04 -0.47 -1.72 117.51 118.84 3dky h ILE 108 Ca -0.03 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3dky h ILE 108 Cb 1.34 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3dky h ILE 108 CO 0.12 0.42 -0.09 0.00 0.00 0.00 0.00 178.15 178.61 3dky h ALA 109 N 1.16 0.94 -0.23 1.87 0.00 -1.41 -2.26 119.26 119.34 3dky h ALA 109 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dky h ALA 109 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dky h ALA 109 CO 0.05 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.93 3dky n LYS 110 N -2.45 1.80 -3.30 0.00 5.02 -0.95 -4.95 118.16 113.32 3dky n LYS 110 Ca 0.05 -1.21 -0.24 0.00 -2.02 0.00 0.00 58.31 54.89 3dky n LYS 110 Cb 0.46 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.44 -4.39 -2.32 1.97 5.02 -0.69 -4.93 118.16 113.26 3dky n LYS 111 Ca 0.15 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.78 3dky n LYS 111 Cb 0.34 -5.47 -0.01 0.00 -0.02 0.00 0.00 35.03 29.86 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 -5.97 3.59 -0.43 1.97 1.02 -0.95 -4.92 119.74 114.06 3dky s LYS 112 Ca 0.40 1.28 -0.27 0.00 0.02 0.00 0.00 55.97 57.40 3dky s LYS 112 Cb -0.20 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3dky s LYS 112 CO 0.49 -0.59 1.98 -1.58 -0.92 0.00 0.00 175.35 174.73 3dky s HIS 113 N -2.20 1.55 0.25 3.18 5.65 -1.26 -4.92 115.29 117.54 3dky s HIS 113 Ca 0.65 0.83 -0.30 0.00 0.25 0.00 0.00 55.06 56.49 3dky s HIS 113 Cb -0.16 -3.99 -0.11 0.00 -1.18 0.00 0.00 32.58 27.14 3dky s HIS 113 CO 0.28 -2.82 1.57 0.08 -0.65 0.00 0.00 174.74 173.20 3dky s VAL 114 N 8.68 2.28 0.46 0.89 1.01 -1.26 -4.76 120.40 127.70 3dky s VAL 114 Ca 0.82 0.23 0.07 0.00 0.00 0.00 0.00 61.98 63.09 3dky s VAL 114 Cb -0.20 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3dky s VAL 114 CO 0.28 0.03 0.33 -0.31 0.00 0.00 0.00 175.10 175.43 3dky s TYR 115 N 0.30 2.29 -0.29 5.22 1.51 -0.92 -5.03 117.35 120.42 3dky s TYR 115 Ca 0.65 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 3dky s TYR 115 Cb -0.46 -2.02 0.01 0.00 -0.11 0.00 0.00 41.96 39.39 3dky s TYR 115 CO 0.43 -0.16 1.08 0.34 -1.11 0.00 0.00 175.55 176.13 3dky s ASP 116 N -4.12 6.96 0.10 2.29 -1.08 -1.26 -4.89 116.67 114.68 3dky s ASP 116 Ca 0.41 1.15 0.13 0.00 -0.52 0.00 0.00 52.55 53.71 3dky s ASP 116 Cb -0.01 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.49 3dky s ASP 116 CO 0.24 -0.83 1.40 2.29 0.52 0.00 0.00 175.17 178.78 3dky n LYS 117 N 6.75 0.06 0.12 4.34 2.85 -1.26 -1.20 118.16 129.82 3dky n LYS 117 Ca 0.12 0.42 0.13 0.00 -1.05 0.00 0.00 58.31 57.93 3dky n LYS 117 Cb 0.47 -1.64 0.41 0.00 -0.65 0.00 0.00 35.03 33.61 3dky n LYS 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dky h ALA 118 N 2.22 1.00 0.00 0.58 0.00 -2.03 -3.14 119.26 117.89 3dky h ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dky h ALA 118 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dky h ALA 118 CO 0.00 0.00 -0.70 -0.25 0.00 0.00 0.00 179.25 178.30 3dky n ASP 119 N -2.35 0.61 -4.63 0.00 8.00 -0.34 -4.88 116.55 112.96 3dky n ASP 119 Ca 0.05 -0.23 -0.44 0.00 0.71 0.00 0.00 54.79 54.88 3dky n ASP 119 Cb 0.40 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.92 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 -1.74 1.73 -4.83 0.53 5.41 -1.19 -4.21 119.36 115.07 3dky n ILE 120 Ca 0.04 -0.43 -0.32 0.00 1.00 0.00 0.00 62.75 63.04 3dky n ILE 120 Cb 0.38 -1.22 -0.17 0.00 -0.71 0.00 0.00 39.64 37.92 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 -1.36 2.98 -0.33 0.38 1.02 0.11 -4.95 119.74 117.60 3dky s LYS 121 Ca 0.61 -0.85 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 3dky s LYS 121 Cb -0.67 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3dky s LYS 121 CO 0.58 0.04 0.12 -0.51 -0.92 0.00 0.00 175.35 174.67 3dky s LEU 122 N 0.68 4.23 0.11 3.17 1.43 -1.26 -0.02 118.68 127.01 3dky s LEU 122 Ca -0.11 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 3dky s LEU 122 Cb -0.16 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3dky s LEU 122 CO 0.01 -0.28 0.53 -0.63 0.23 0.00 0.00 176.35 176.21 3dky s ILE 123 N 1.49 4.87 -1.60 -0.59 -1.09 0.85 -4.39 121.20 120.74 3dky s ILE 123 Ca 0.01 0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 59.16 3dky s ILE 123 Cb -0.18 -3.76 0.13 0.00 -1.58 0.00 0.00 42.46 37.07 3dky s ILE 123 CO 0.04 0.35 0.79 0.59 -1.23 0.00 0.00 174.94 175.48 3dky n ASN 124 N 1.12 -3.71 -1.28 3.58 3.02 -1.26 -1.99 115.26 114.75 3dky n ASN 124 Ca -0.08 -0.87 -0.09 0.00 -0.03 0.00 0.00 54.58 53.51 3dky n ASN 124 Cb 0.52 -3.02 0.01 0.00 -0.61 0.00 0.00 39.78 36.68 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 -2.63 -3.36 -4.65 6.41 4.13 -1.26 -4.54 115.26 109.36 3dky n ASN 125 Ca 0.06 -0.08 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 3dky n ASN 125 Cb 0.50 -2.41 -0.01 0.00 -1.54 0.00 0.00 39.78 36.32 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 -3.87 1.80 -3.50 3.10 -0.00 -1.17 -4.98 117.46 108.83 3dky n PHE 126 Ca -0.07 0.62 -0.22 0.00 -0.00 0.00 0.00 57.45 57.78 3dky n PHE 126 Cb 0.56 -2.34 -0.13 0.00 -0.00 0.00 0.00 39.48 37.58 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 -0.43 2.17 0.64 -2.13 2.15 -1.26 -4.94 116.67 112.87 3dky s ASP 127 Ca 0.57 -0.70 0.30 0.00 0.43 0.00 0.00 52.55 53.15 3dky s ASP 127 Cb -0.63 0.13 1.59 0.00 -0.30 0.00 0.00 42.92 43.71 3dky s ASP 127 CO 0.61 -0.38 1.93 -0.29 -0.17 0.00 0.00 175.17 176.87 3dky h ILE 128 N 6.34 0.14 -0.31 4.11 6.09 -2.01 0.24 117.51 132.11 3dky h ILE 128 Ca -0.17 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.41 3dky h ILE 128 Cb 1.09 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 3dky h ILE 128 CO 0.34 0.00 0.22 0.44 -3.07 0.00 0.00 178.15 176.08 3dky h ASP 129 N 0.00 0.02 -0.89 2.19 3.32 -2.01 -2.75 116.42 116.31 3dky h ASP 129 Ca 0.06 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.60 3dky h ASP 129 Cb 0.79 -0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.07 3dky h ASP 129 CO -0.00 0.01 0.66 -2.11 -1.72 0.00 0.00 179.24 176.08 3dky n ARG 130 N -4.45 2.27 0.00 3.56 1.85 0.85 -3.43 116.66 117.31 3dky n ARG 130 Ca 0.04 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.12 3dky n ARG 130 Cb 0.38 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 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 -0.84 0.00 -1.86 2.89 4.01 -1.03 -4.83 117.16 115.49 3dky n TYR 131 Ca 0.54 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.91 3dky n TYR 131 Cb 1.18 0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 40.20 3dky n TYR 131 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3dky n VAL 132 N 0.00 4.88 -1.01 -0.72 0.24 -1.22 -4.66 118.33 115.84 3dky n VAL 132 Ca 0.00 -3.98 -0.32 0.00 -2.04 0.00 0.00 64.34 57.99 3dky n VAL 132 Cb 0.49 -2.03 0.14 0.00 -1.47 0.00 0.00 33.84 30.97 3dky n VAL 132 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3dky s THR 133 N -1.10 2.17 0.36 3.34 -1.32 -1.26 -5.00 115.64 112.83 3dky s THR 133 Ca 0.56 0.07 -0.19 0.00 -1.21 0.00 0.00 61.69 60.92 3dky s THR 133 Cb 0.22 -2.35 -0.10 0.00 -1.51 0.00 0.00 72.50 68.76 3dky s THR 133 CO -0.11 -0.06 0.84 -0.76 -2.21 0.00 0.00 174.62 172.32 3dky s LEU 134 N -6.00 4.05 0.55 9.08 1.43 -1.26 -5.03 118.68 121.50 3dky s LEU 134 Ca 0.70 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 3dky s LEU 134 Cb -0.26 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 3dky s LEU 134 CO 0.53 -0.25 0.80 0.47 0.23 0.00 0.00 176.35 178.13 3dky n ASP 135 N -0.36 0.15 -0.12 2.29 8.00 -1.26 -4.82 116.55 120.43 3dky n ASP 135 Ca 0.05 0.82 -0.02 0.00 0.71 0.00 0.00 54.79 56.35 3dky n ASP 135 Cb 0.53 -1.30 0.22 0.00 -0.02 0.00 0.00 41.12 40.56 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 0.58 1.21 -0.55 2.53 2.07 -2.01 -2.46 116.25 117.62 3dky h VAL 136 Ca -0.46 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3dky h VAL 136 Cb 1.37 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3dky h VAL 136 CO 0.50 0.27 0.30 -0.33 0.02 0.00 0.00 177.57 178.34 3dky h GLU 137 N 0.78 0.77 -0.44 1.57 4.39 -2.00 -2.19 114.58 117.45 3dky h GLU 137 Ca 0.18 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.86 3dky h GLU 137 Cb 0.23 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 3dky h GLU 137 CO -0.01 0.59 0.07 0.93 -1.16 0.00 0.00 179.01 179.43 3dky h GLU 138 N 0.74 0.19 -0.26 2.33 5.08 -1.80 0.29 114.58 121.15 3dky h GLU 138 Ca 0.19 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3dky h GLU 138 Cb 0.05 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3dky h GLU 138 CO -0.03 0.12 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.65 3dky h LYS 139 N 0.19 -0.22 -0.40 2.33 3.64 -1.16 0.20 116.57 121.16 3dky h LYS 139 Ca 0.22 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3dky h LYS 139 Cb 0.29 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3dky h LYS 139 CO -0.31 -0.15 0.19 1.15 -2.27 0.00 0.00 179.45 178.07 3dky h THR 140 N -0.23 0.96 -0.03 1.00 2.02 -0.75 0.40 112.91 116.28 3dky h THR 140 Ca 0.14 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3dky h THR 140 Cb 0.45 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3dky h THR 140 CO -0.39 0.07 -0.18 -0.08 0.37 0.00 0.00 175.52 175.31 3dky h GLU 141 N 0.39 -0.26 -0.72 6.66 4.81 0.69 -2.01 114.58 124.13 3dky h GLU 141 Ca 0.17 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3dky h GLU 141 Cb 0.10 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3dky h GLU 141 CO -0.13 -0.18 0.22 -0.07 -0.73 0.00 0.00 179.01 178.12 3dky h LEU 142 N -0.27 1.06 -0.94 1.64 3.38 -0.24 -2.02 115.31 117.92 3dky h LEU 142 Ca 0.06 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3dky h LEU 142 Cb 0.36 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3dky h LEU 142 CO -0.19 0.99 0.59 0.15 0.09 0.00 0.00 178.44 180.07 3dky h PHE 143 N 1.07 1.09 0.00 1.13 3.57 -0.53 0.77 116.94 124.04 3dky h PHE 143 Ca 0.23 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3dky h PHE 143 Cb 0.32 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3dky h PHE 143 CO 0.03 0.52 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.50 3dky h ASN 144 N 1.03 0.00 -0.07 0.41 -0.26 -0.65 0.15 115.58 116.20 3dky h ASN 144 Ca 0.43 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.04 3dky h ASN 144 Cb 0.26 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3dky h ASN 144 CO -0.20 0.21 -0.44 0.58 -1.06 0.00 0.00 177.43 176.52 3dky h VAL 145 N 0.00 1.41 -0.18 2.81 2.07 -0.82 -2.63 116.25 118.90 3dky h VAL 145 Ca -0.00 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.69 3dky h VAL 145 Cb 0.49 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3dky h VAL 145 CO 0.03 0.54 0.12 0.58 0.02 0.00 0.00 177.57 178.86 3dky h VAL 146 N -0.06 1.01 0.00 2.57 2.07 0.31 0.16 116.25 122.31 3dky h VAL 146 Ca -0.04 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dky h VAL 146 Cb 1.10 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3dky h VAL 146 CO 0.09 0.03 0.00 0.52 0.02 0.00 0.00 177.57 178.23 3dky n VAL 147 N -4.51 0.00 -0.42 2.57 0.31 0.41 -1.58 118.33 115.12 3dky n VAL 147 Ca 0.00 1.19 0.38 0.00 -0.01 0.00 0.00 64.34 65.91 3dky n VAL 147 Cb 0.13 -2.19 0.74 0.00 -0.91 0.00 0.00 33.84 31.61 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 0.06 -0.38 4.52 4.64 -1.28 0.44 113.55 121.56 3dky h SER 148 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3dky h SER 148 Cb 0.00 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3dky h SER 148 CO 0.00 -0.01 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.80 3dky h LEU 149 N 0.04 0.73 -0.50 5.97 3.38 -0.61 0.92 115.31 125.24 3dky h LEU 149 Ca 0.67 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 3dky h LEU 149 Cb 2.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 43.10 3dky h LEU 149 CO -0.07 0.92 -0.72 0.40 0.09 0.00 0.00 178.44 179.07 3dky h ILE 150 N 0.53 1.44 0.35 1.22 2.04 0.80 -2.60 117.51 121.29 3dky h ILE 150 Ca 0.10 -2.26 -0.02 0.00 1.00 0.00 0.00 64.86 63.68 3dky h ILE 150 Cb 0.59 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3dky h ILE 150 CO 0.04 0.66 -0.17 0.03 0.00 0.00 0.00 178.15 178.71 3dky h ARG 151 N 0.14 -0.45 -0.44 2.37 3.08 -0.91 -1.83 114.38 116.34 3dky h ARG 151 Ca -0.02 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3dky h ARG 151 Cb 1.27 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.33 3dky h ARG 151 CO 0.11 -0.30 -0.26 0.00 -1.07 0.00 0.00 179.97 178.45 3dky h ALA 152 N -1.76 -0.00 -0.60 0.04 0.00 -0.82 -1.85 119.26 114.27 3dky h ALA 152 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dky h ALA 152 Cb 0.36 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3dky h ALA 152 CO 0.08 -0.63 0.00 0.66 0.00 0.00 0.00 179.25 179.36 3dky n TYR 153 N -5.41 1.07 -4.00 0.00 4.01 -0.98 -4.95 117.16 106.90 3dky n TYR 153 Ca 0.02 -0.47 -0.33 0.00 -0.16 0.00 0.00 57.90 56.96 3dky n TYR 153 Cb 0.32 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.15 -3.14 -2.51 -0.72 -1.04 -0.70 -4.84 114.28 102.47 3dky n THR 154 Ca 0.22 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.05 61.17 3dky n THR 154 Cb 0.66 -2.57 -0.02 0.00 -1.82 0.00 0.00 70.33 66.57 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 -7.07 4.22 0.00 -4.42 1.43 -0.93 -4.93 118.68 106.97 3dky s LEU 155 Ca 0.22 1.67 0.26 0.00 -1.03 0.00 0.00 54.13 55.25 3dky s LEU 155 Cb -0.10 -3.55 0.66 0.00 0.03 0.00 0.00 46.19 43.23 3dky s LEU 155 CO 0.93 -0.63 1.52 0.00 0.23 0.00 0.00 176.35 178.41 3dky n GLN 156 N 5.74 0.00 -3.60 1.70 6.02 -1.26 -4.70 117.38 121.28 3dky n GLN 156 Ca 0.12 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.07 3dky n GLN 156 Cb 0.46 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 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 -3.00 -0.11 0.61 1.08 2.20 -1.26 -4.48 114.94 109.98 3dky s ASN 157 Ca 0.12 -0.00 0.31 0.00 -0.94 0.00 0.00 52.86 52.34 3dky s ASN 157 Cb 0.18 0.12 1.73 0.00 -2.00 0.00 0.00 41.25 41.28 3dky s ASN 157 CO 0.66 -0.19 2.08 -0.29 -2.94 0.00 0.00 177.10 176.42 3dky h ILE 158 N 2.00 0.31 0.03 0.54 2.10 -1.98 -0.36 117.51 120.15 3dky h ILE 158 Ca -0.08 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.86 3dky h ILE 158 Cb 1.16 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3dky h ILE 158 CO 0.22 0.00 -0.01 -0.26 -1.08 0.00 0.00 178.15 177.02 3dky h PHE 159 N 0.00 -0.03 -0.05 2.19 0.05 -1.99 -0.86 116.94 116.25 3dky h PHE 159 Ca 0.07 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.87 3dky h PHE 159 Cb 0.53 0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.49 3dky h PHE 159 CO 0.00 0.27 0.04 -0.44 -0.18 0.00 0.00 178.31 177.99 3dky h ASP 160 N -0.33 0.02 -0.07 2.17 5.19 -1.51 0.51 116.42 122.41 3dky h ASP 160 Ca -0.00 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3dky h ASP 160 Cb 0.31 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 3dky h ASP 160 CO 0.01 0.01 -0.05 0.25 -3.12 0.00 0.00 179.24 176.34 3dky h LEU 161 N 0.02 0.16 0.51 1.55 5.85 -1.18 -2.62 115.31 119.60 3dky h LEU 161 Ca 0.02 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3dky h LEU 161 Cb 0.07 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3dky h LEU 161 CO -0.00 0.59 -0.26 1.88 -0.34 0.00 0.00 178.44 180.30 3dky h TYR 162 N -0.26 -0.67 -0.87 1.25 0.05 -0.36 -1.19 116.97 114.92 3dky h TYR 162 Ca 0.01 -0.01 0.23 0.00 0.05 0.00 0.00 58.73 59.01 3dky h TYR 162 Cb 0.53 0.23 -0.14 0.00 1.01 0.00 0.00 36.73 38.36 3dky h TYR 162 CO 0.08 -0.41 0.23 -0.44 -1.05 0.00 0.00 178.16 176.57 3dky h ASP 163 N -0.70 -0.00 0.20 3.88 3.45 -1.03 0.38 116.42 122.59 3dky h ASP 163 Ca -0.07 0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3dky h ASP 163 Cb 0.55 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 3dky h ASP 163 CO 0.10 -0.15 -0.10 0.15 -1.57 0.00 0.00 179.24 177.68 3dky h PHE 164 N 0.21 -0.25 -0.90 4.55 3.04 -1.12 -2.91 116.94 119.57 3dky h PHE 164 Ca 0.54 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.54 3dky h PHE 164 Cb 1.08 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.61 3dky h PHE 164 CO -0.27 -0.14 0.59 0.82 -2.02 0.00 0.00 178.31 177.29 3dky h ILE 165 N -0.29 1.09 -0.67 1.41 1.08 0.38 -1.80 117.51 118.70 3dky h ILE 165 Ca -0.03 -0.36 0.14 0.00 -0.39 0.00 0.00 64.86 64.23 3dky h ILE 165 Cb 0.22 -0.05 -0.11 0.00 -3.07 0.00 0.00 36.82 33.81 3dky h ILE 165 CO 0.04 0.19 0.04 0.44 -0.69 0.00 0.00 178.15 178.18 3dky h ASP 166 N 1.05 -0.22 0.00 1.72 3.45 -0.17 0.22 116.42 122.48 3dky h ASP 166 Ca 0.38 0.16 0.00 0.00 0.43 0.00 0.00 57.03 58.00 3dky h ASP 166 Cb 0.15 0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3dky h ASP 166 CO -0.14 -0.11 0.00 -0.62 -1.57 0.00 0.00 179.24 176.81 3dky n GLU 167 N -5.26 0.00 -0.16 3.56 1.02 -0.87 -4.48 120.64 114.45 3dky n GLU 167 Ca 0.11 0.42 0.04 0.00 -0.02 0.00 0.00 57.16 57.71 3dky n GLU 167 Cb 0.40 -0.92 0.12 0.00 -0.02 0.00 0.00 31.44 31.02 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 -1.91 1.55 -0.11 1.62 4.13 -0.73 -4.42 115.26 115.40 3dky n ASN 168 Ca 0.00 -2.05 -0.06 0.00 1.68 0.00 0.00 54.58 54.15 3dky n ASN 168 Cb 0.00 -0.23 -0.04 0.00 -1.54 0.00 0.00 39.78 37.96 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 5.33 -1.66 0.32 7.41 0.00 -0.66 -2.41 103.07 111.40 3dky h GLY 169 Ca 0.00 0.86 0.20 0.00 0.00 0.00 0.00 47.33 48.39 3dky h GLY 169 CO 0.03 -0.50 0.59 0.83 0.00 0.00 0.00 176.54 177.50 3dky h GLU 170 N -0.12 0.42 -0.78 4.80 5.08 -1.77 -0.28 114.58 121.93 3dky h GLU 170 Ca 0.05 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3dky h GLU 170 Cb 0.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3dky h GLU 170 CO -0.32 0.28 0.51 1.15 -1.00 0.00 0.00 179.01 179.63 3dky h THR 171 N 0.44 0.92 -0.01 1.13 2.02 -1.77 0.15 112.91 115.79 3dky h THR 171 Ca 0.47 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3dky h THR 171 Cb 1.13 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3dky h THR 171 CO -0.19 0.12 -0.53 -1.22 0.37 0.00 0.00 175.52 174.08 3dky n TYR 172 N -4.50 0.00 -1.69 3.16 4.02 -0.23 -4.97 117.16 112.95 3dky n TYR 172 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 3dky n TYR 172 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 1.38 0.83 3.61 2.72 0.00 0.54 -5.08 105.19 109.19 3dky n GLY 173 Ca 0.08 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.29 3.17 0.00 0.99 1.43 -0.92 -4.96 118.68 118.10 3dky s LEU 174 Ca 0.00 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3dky s LEU 174 Cb 0.00 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 3dky s LEU 174 CO 0.00 0.16 0.04 0.35 0.23 0.00 0.00 176.35 177.13 3dky n THR 175 N 0.49 0.00 0.25 5.49 -2.24 -1.26 -3.65 114.28 113.36 3dky n THR 175 Ca -0.12 -2.13 -0.10 0.00 -2.27 0.00 0.00 64.05 59.43 3dky n THR 175 Cb 0.53 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.35 0.00 0.00 2.28 1.08 -1.94 -2.64 117.51 117.65 3dky h ILE 176 Ca -0.35 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3dky h ILE 176 Cb 1.12 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3dky h ILE 176 CO 0.57 0.00 0.13 0.59 -0.69 0.00 0.00 178.15 178.75 3dky n ASN 177 N -4.28 0.00 -0.10 1.72 3.02 -1.26 -1.21 115.26 113.15 3dky n ASN 177 Ca -0.08 0.28 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 3dky n ASN 177 Cb 0.26 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.26 2.26 -0.07 3.41 7.94 -1.13 -3.45 117.00 124.71 3dky n LEU 178 Ca 0.00 0.25 -0.11 0.00 -1.11 0.00 0.00 56.01 55.04 3dky n LEU 178 Cb 0.13 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.09 3dky n LEU 178 CO 0.00 0.61 0.59 0.58 -1.11 0.00 0.00 177.39 178.06 3dky h VAL 179 N -0.60 0.14 -1.00 1.96 2.07 -0.79 -0.23 116.25 117.80 3dky h VAL 179 Ca -0.52 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.35 3dky h VAL 179 Cb 1.66 0.14 -0.16 0.00 -1.52 0.00 0.00 31.29 31.42 3dky h VAL 179 CO -0.20 0.00 0.55 0.78 0.02 0.00 0.00 177.57 178.72 3dky h ASN 180 N -0.39 0.43 1.52 0.57 2.35 -1.56 1.46 115.58 119.96 3dky h ASN 180 Ca 0.11 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3dky h ASN 180 Cb 0.60 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3dky h ASN 180 CO -0.49 -0.24 -0.22 -0.08 -1.65 0.00 0.00 177.43 174.75 3dky h GLU 181 N 0.21 0.00 0.00 0.81 4.81 -1.12 -3.03 114.58 116.25 3dky h GLU 181 Ca 0.77 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.99 3dky h GLU 181 Cb 1.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.25 3dky h GLU 181 CO -0.67 0.00 -0.27 0.28 -0.73 0.00 0.00 179.01 177.63 3dky h VAL 182 N 0.00 0.20 0.00 0.32 2.07 0.32 -3.35 116.25 115.81 3dky h VAL 182 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3dky h VAL 182 Cb 0.87 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3dky h VAL 182 CO 0.00 0.07 0.00 0.16 0.02 0.00 0.00 177.57 177.82 3dky h ILE 183 N -1.00 0.00 -3.35 4.57 3.07 -0.90 -3.43 117.51 116.47 3dky h ILE 183 Ca -0.02 -0.19 -0.57 0.00 1.55 0.00 0.00 64.86 65.63 3dky h ILE 183 Cb 0.35 0.88 0.11 0.00 -0.27 0.00 0.00 36.82 37.89 3dky h ILE 183 CO -0.01 0.00 0.48 0.00 -1.05 0.00 0.00 178.15 177.57 3dky n ALA 184 N -1.80 1.22 0.00 0.16 0.00 -1.15 -1.25 120.51 117.70 3dky n ALA 184 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3dky n ALA 184 Cb 0.19 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 0.81 1.33 0.88 0.00 0.00 -1.26 -4.69 105.19 102.26 3dky n GLY 185 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.82 -0.16 1.61 4.76 -0.38 -4.34 118.16 120.46 3dky n LYS 186 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3dky n LYS 186 Cb 0.00 -1.17 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 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 0.14 1.21 -0.18 -0.18 1.35 -1.83 -2.36 112.91 111.06 3dky h THR 187 Ca 0.00 -0.67 0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3dky h THR 187 Cb 0.72 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 3dky h THR 187 CO 0.00 0.25 -0.12 1.23 -0.25 0.00 0.00 175.52 176.62 3dky h GLY 188 N 0.62 -2.22 -1.12 5.82 0.00 -1.92 0.61 103.07 104.85 3dky h GLY 188 Ca 0.16 1.04 0.44 0.00 0.00 0.00 0.00 47.33 48.96 3dky h GLY 188 CO -0.01 -0.77 0.72 -2.75 0.00 0.00 0.00 176.54 173.73 3dky h PHE 189 N -0.02 0.67 0.69 5.60 3.04 -1.83 -0.69 116.94 124.40 3dky h PHE 189 Ca 0.03 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 3dky h PHE 189 Cb 0.10 -0.16 0.01 0.00 2.56 0.00 0.00 35.95 38.45 3dky h PHE 189 CO -0.89 -0.35 -0.33 0.52 -2.02 0.00 0.00 178.31 175.24 3dky h MET 190 N 0.04 -0.90 -1.16 1.11 2.86 0.73 -2.70 114.93 114.91 3dky h MET 190 Ca 0.85 0.06 0.33 0.00 -2.06 0.00 0.00 59.70 58.88 3dky h MET 190 Cb 2.48 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 34.29 3dky h MET 190 CO -0.59 -0.59 0.81 -0.22 1.06 0.00 0.00 176.91 177.38 3dky h LYS 191 N -0.95 0.09 -0.28 1.72 1.63 -0.60 1.06 116.57 119.24 3dky h LYS 191 Ca -0.10 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 3dky h LYS 191 Cb 0.72 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 3dky h LYS 191 CO 0.16 0.06 0.07 -0.07 -3.45 0.00 0.00 179.45 176.22 3dky h LEU 192 N 0.09 0.41 -0.17 5.20 4.07 -1.43 -1.25 115.31 122.23 3dky h LEU 192 Ca 0.58 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 3dky h LEU 192 Cb 2.11 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.74 3dky h LEU 192 CO -0.08 0.53 0.08 -0.07 -1.08 0.00 0.00 178.44 177.82 3dky h LEU 193 N 0.28 0.22 0.00 1.67 3.38 0.13 0.57 115.31 121.57 3dky h LEU 193 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dky h LEU 193 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dky h LEU 193 CO -0.00 0.28 0.00 0.49 0.09 0.00 0.00 178.44 179.30 3dky n PHE 194 N -4.89 0.00 -0.08 1.13 3.72 0.53 -0.82 117.46 117.05 3dky n PHE 194 Ca -0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.23 3dky n PHE 194 Cb 0.09 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.35 0.85 0.10 4.37 8.00 -0.48 -2.74 116.55 125.30 3dky n ASP 195 Ca 0.07 0.07 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 3dky n ASP 195 Cb 0.15 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 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 3.14 -0.89 -0.21 0.44 0.00 -0.03 0.61 103.07 106.14 3dky h GLY 196 Ca -0.49 0.40 0.12 0.00 0.00 0.00 0.00 47.33 47.35 3dky h GLY 196 CO 0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 176.54 176.08 3dky h ALA 197 N -1.46 0.32 0.70 3.60 0.00 -1.15 0.13 119.26 121.40 3dky h ALA 197 Ca -0.02 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3dky h ALA 197 Cb 0.30 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3dky h ALA 197 CO -0.02 -0.47 -0.48 -0.92 0.00 0.00 0.00 179.25 177.36 3dky h TYR 198 N -0.04 -1.30 0.00 0.00 3.20 -1.30 -1.81 116.97 115.73 3dky h TYR 198 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3dky h TYR 198 Cb 0.46 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3dky h TYR 198 CO -0.51 -0.70 0.00 0.00 -1.64 0.00 0.00 178.16 175.32 3dky n GLN 199 N -5.46 0.05 0.13 1.82 10.64 0.18 -1.96 117.38 122.78 3dky n GLN 199 Ca -0.14 0.42 -0.24 0.00 -1.83 0.00 0.00 57.00 55.21 3dky n GLN 199 Cb 0.48 -1.62 -0.16 0.00 -0.86 0.00 0.00 30.24 28.08 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 0.50 0.00 2.61 9.65 -0.10 -3.30 114.38 123.74 3dky h ARG 200 Ca 0.00 -0.85 -0.03 0.00 -1.10 0.00 0.00 59.98 58.00 3dky h ARG 200 Cb 0.15 0.32 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3dky h ARG 200 CO 0.00 1.41 -0.14 0.66 2.80 0.00 0.00 179.97 184.69 3dky h SER 201 N 0.06 0.00 0.38 -3.80 4.64 -0.68 -2.80 113.55 111.34 3dky h SER 201 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3dky h SER 201 Cb 2.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 3dky h SER 201 CO 0.25 0.14 0.00 1.17 -0.87 0.00 0.00 176.83 177.52 3dky n LYS 202 N -3.20 0.08 0.00 4.77 4.81 -0.93 -5.13 118.16 118.56 3dky n LYS 202 Ca 0.02 0.22 0.15 0.00 -0.87 0.00 0.00 58.31 57.82 3dky n LYS 202 Cb 0.47 -1.50 0.86 0.00 0.02 0.00 0.00 35.03 34.88 3dky n LYS 202 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44