#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jza s TYR 5 N 0.00 1.44 0.13 -1.84 2.02 -1.26 -4.99 117.35 112.85 3jza s TYR 5 Ca 0.00 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.07 3jza s TYR 5 Cb 0.00 -0.73 -0.10 0.00 -0.40 0.00 0.00 41.96 40.73 3jza s TYR 5 CO 0.00 0.18 1.30 -0.44 -1.57 0.00 0.00 175.55 175.02 3jza h ASP 6 N 3.13 0.45 -4.71 2.29 3.32 -1.32 -3.47 116.42 116.10 3jza h ASP 6 Ca -0.39 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.12 3jza h ASP 6 Cb 1.20 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.39 3jza h ASP 6 CO 0.56 1.19 -0.56 -0.31 -1.72 0.00 0.00 179.24 178.40 3jza s TYR 7 N -3.17 0.06 -0.15 4.55 2.02 -1.05 -5.02 117.35 114.58 3jza s TYR 7 Ca -0.05 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3jza s TYR 7 Cb 0.09 -0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.62 3jza s TYR 7 CO 0.86 -0.22 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.37 3jza s LEU 8 N -1.09 1.59 -0.17 -1.29 0.20 -1.26 -1.04 118.68 115.62 3jza s LEU 8 Ca -0.12 -0.55 -0.05 0.00 0.69 0.00 0.00 54.13 54.11 3jza s LEU 8 Cb -0.07 -0.99 -0.03 0.00 -0.43 0.00 0.00 46.19 44.68 3jza s LEU 8 CO 0.01 -0.13 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.56 3jza s PHE 9 N 1.60 3.06 -0.24 5.38 0.08 0.64 -4.98 117.98 123.52 3jza s PHE 9 Ca 0.03 -0.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.64 3jza s PHE 9 Cb -0.14 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3jza s PHE 9 CO -0.09 -0.08 0.27 0.15 -0.10 0.00 0.00 175.22 175.37 3jza s LYS 10 N 0.57 4.08 -0.08 0.44 1.02 -1.26 -1.30 119.74 123.22 3jza s LYS 10 Ca -0.01 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.91 3jza s LYS 10 Cb -0.14 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3jza s LYS 10 CO 0.02 -0.04 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.77 3jza s LEU 11 N 1.35 2.80 -0.21 3.17 1.43 0.23 -0.20 118.68 127.24 3jza s LEU 11 Ca 0.12 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3jza s LEU 11 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3jza s LEU 11 CO 0.07 0.30 -0.00 -0.22 0.23 0.00 0.00 176.35 176.73 3jza s LEU 12 N -0.43 3.18 -0.33 1.79 2.96 -0.06 -0.61 118.68 125.17 3jza s LEU 12 Ca 0.05 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 3jza s LEU 12 Cb -0.12 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3jza s LEU 12 CO 0.02 0.02 0.17 -0.22 -1.32 0.00 0.00 176.35 175.03 3jza s LEU 13 N 1.25 4.32 -0.20 -0.68 2.96 0.08 -0.08 118.68 126.33 3jza s LEU 13 Ca 0.04 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 3jza s LEU 13 Cb -0.15 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3jza s LEU 13 CO 0.01 -0.26 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.11 3jza s ILE 14 N 1.60 3.54 -0.28 6.68 1.01 0.42 -4.13 121.20 130.03 3jza s ILE 14 Ca 0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3jza s ILE 14 Cb -0.18 -2.59 0.19 0.00 0.01 0.00 0.00 42.46 39.89 3jza s ILE 14 CO 0.07 0.44 1.34 -0.83 0.00 0.00 0.00 174.94 175.95 3jza s GLY 15 N 1.16 0.08 1.00 6.18 0.00 -1.26 -1.10 107.32 113.37 3jza s GLY 15 Ca 0.02 2.81 -0.13 0.00 0.00 0.00 0.00 44.72 47.42 3jza s GLY 15 CO -0.00 1.12 1.10 0.99 0.00 0.00 0.00 173.10 176.31 3jza s ASP 16 N -0.99 2.63 0.50 1.64 1.01 -1.26 -4.74 116.67 115.45 3jza s ASP 16 Ca 0.08 1.12 -0.22 0.00 0.71 0.00 0.00 52.55 54.25 3jza s ASP 16 Cb -0.01 -1.77 -0.06 0.00 1.01 0.00 0.00 42.92 42.08 3jza s ASP 16 CO -0.08 -3.12 1.21 -0.44 0.21 0.00 0.00 175.17 172.95 3jza s SER 17 N -3.54 5.82 0.00 0.27 0.01 -1.26 -3.84 113.70 111.17 3jza s SER 17 Ca 0.65 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.32 3jza s SER 17 Cb -0.18 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3jza s SER 17 CO 0.57 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3jza n GLY 18 N 0.49 0.61 0.42 3.44 0.00 -1.26 -4.90 105.19 103.99 3jza n GLY 18 Ca 0.09 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3jza n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jza n VAL 19 N -2.76 0.00 -1.38 1.61 0.24 -1.25 -4.92 118.33 109.87 3jza n VAL 19 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3jza n VAL 19 Cb 0.00 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 3jza n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jza n GLY 20 N 1.07 1.00 0.35 7.63 0.00 -1.26 -4.63 105.19 109.34 3jza n GLY 20 Ca 0.07 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.76 3jza n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jza h LYS 21 N 0.00 0.42 -0.93 1.61 1.57 -1.95 -1.94 116.57 115.35 3jza h LYS 21 Ca 0.00 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 3jza h LYS 21 Cb 0.59 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 3jza h LYS 21 CO 0.00 0.28 0.52 0.66 -0.57 0.00 0.00 179.45 180.34 3jza h SER 22 N 0.43 0.66 -0.55 0.86 4.64 -1.99 0.58 113.55 118.18 3jza h SER 22 Ca 0.27 0.10 0.16 0.00 -0.47 0.00 0.00 61.79 61.84 3jza h SER 22 Cb 0.49 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3jza h SER 22 CO -0.07 0.25 0.65 0.00 -0.87 0.00 0.00 176.83 176.79 3jza n LEU 24 N -3.53 2.17 -0.33 0.00 4.32 0.20 -4.36 117.00 115.47 3jza n LEU 24 Ca 0.11 -0.73 0.03 0.00 -0.02 0.00 0.00 56.01 55.40 3jza n LEU 24 Cb 0.85 -0.01 0.07 0.00 -1.62 0.00 0.00 43.42 42.72 3jza n LEU 24 CO 0.25 0.37 0.54 0.18 -1.22 0.00 0.00 177.39 177.51 3jza n LEU 25 N 0.58 2.35 0.27 2.23 4.77 0.12 -4.69 117.00 122.63 3jza n LEU 25 Ca 0.15 -1.85 0.14 0.00 -0.03 0.00 0.00 56.01 54.42 3jza n LEU 25 Cb 0.48 -0.11 0.75 0.00 -2.33 0.00 0.00 43.42 42.21 3jza n LEU 25 CO 0.18 0.58 0.99 -0.07 -1.33 0.00 0.00 177.39 177.74 3jza h LEU 26 N 1.12 0.00 -1.65 2.23 3.38 -1.76 -2.50 115.31 116.13 3jza h LEU 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jza h LEU 26 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3jza h LEU 26 CO 0.00 0.10 0.00 0.54 0.09 0.00 0.00 178.44 179.17 3jza n ARG 27 N -3.53 2.07 -4.00 1.13 5.12 -1.26 -4.88 116.66 111.32 3jza n ARG 27 Ca -0.02 -1.63 -0.27 0.00 -1.93 0.00 0.00 57.85 54.01 3jza n ARG 27 Cb 0.24 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 3jza n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3jza s PHE 28 N -1.60 3.34 0.22 -1.55 0.08 -0.94 -4.80 117.98 112.73 3jza s PHE 28 Ca 0.34 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.53 3jza s PHE 28 Cb 0.19 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.97 3jza s PHE 28 CO 0.27 0.52 -0.09 0.00 -0.10 0.00 0.00 175.22 175.82 3jza s ALA 29 N -1.69 1.99 0.20 5.36 0.00 0.09 -4.83 121.76 122.88 3jza s ALA 29 Ca 0.33 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 3jza s ALA 29 Cb -0.11 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 3jza s ALA 29 CO 0.26 -0.05 0.73 -0.51 0.00 0.00 0.00 175.76 176.19 3jza s ASP 30 N -3.33 7.14 0.87 0.00 1.01 -1.26 -0.53 116.67 120.57 3jza s ASP 30 Ca 0.25 1.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.87 3jza s ASP 30 Cb 0.02 -2.44 0.11 0.00 1.01 0.00 0.00 42.92 41.63 3jza s ASP 30 CO 0.08 0.09 1.10 -0.62 0.21 0.00 0.00 175.17 176.02 3jza s ASP 31 N -1.50 3.63 -0.22 0.27 -1.08 -1.26 -4.92 116.67 111.59 3jza s ASP 31 Ca 0.41 1.72 -0.04 0.00 -0.52 0.00 0.00 52.55 54.11 3jza s ASP 31 Cb -0.18 -2.37 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 3jza s ASP 31 CO 0.22 -2.57 -0.04 0.42 0.52 0.00 0.00 175.17 173.72 3jza s THR 32 N -2.85 3.39 0.08 1.71 -4.23 -1.26 -5.10 115.64 107.38 3jza s THR 32 Ca 0.63 -0.49 0.09 0.00 -1.18 0.00 0.00 61.69 60.75 3jza s THR 32 Cb -0.19 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 3jza s THR 32 CO 0.57 0.42 -0.24 -0.31 -0.54 0.00 0.00 174.62 174.53 3jza s TYR 33 N 1.46 2.40 -0.24 3.99 2.02 -1.26 -4.98 117.35 120.73 3jza s TYR 33 Ca 0.06 -0.35 0.17 0.00 -0.37 0.00 0.00 57.07 56.58 3jza s TYR 33 Cb -0.14 -1.35 -0.24 0.00 -0.40 0.00 0.00 41.96 39.82 3jza s TYR 33 CO -0.03 0.26 0.47 0.25 -1.57 0.00 0.00 175.55 174.93 3jza n THR 34 N 1.31 0.00 -1.69 -0.71 -2.24 -1.26 -4.92 114.28 104.76 3jza n THR 34 Ca -0.17 -0.31 -0.52 0.00 -2.27 0.00 0.00 64.05 60.78 3jza n THR 34 Cb 0.52 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 3jza n THR 34 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3jza n GLU 35 N -1.89 1.71 -0.13 -0.78 4.07 -1.26 -4.85 120.64 117.51 3jza n GLU 35 Ca -0.01 0.63 -0.04 0.00 -0.06 0.00 0.00 57.16 57.67 3jza n GLU 35 Cb 0.39 -2.40 0.04 0.00 -0.06 0.00 0.00 31.44 29.41 3jza n GLU 35 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3jza h SER 36 N 8.24 0.07 -0.37 4.31 0.02 -1.99 -0.18 113.55 123.65 3jza h SER 36 Ca -0.48 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 3jza h SER 36 Cb 1.29 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3jza h SER 36 CO 0.95 0.07 -0.36 0.22 -1.14 0.00 0.00 176.83 176.57 3jza h TYR 37 N 0.25 1.08 -0.46 3.45 3.20 -2.01 -2.56 116.97 119.93 3jza h TYR 37 Ca 0.20 -0.32 -0.13 0.00 3.14 0.00 0.00 58.73 61.62 3jza h TYR 37 Cb 0.23 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3jza h TYR 37 CO -0.18 1.14 -0.22 0.82 -1.64 0.00 0.00 178.16 178.08 3jza h ILE 38 N 0.71 1.27 0.00 1.81 2.04 -1.84 -3.04 117.51 118.47 3jza h ILE 38 Ca 0.06 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 3jza h ILE 38 Cb 0.95 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3jza h ILE 38 CO 0.09 0.47 -0.12 0.28 0.00 0.00 0.00 178.15 178.87 3jza h SER 39 N 0.80 0.00 0.97 1.72 0.02 -0.76 0.31 113.55 116.62 3jza h SER 39 Ca 0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3jza h SER 39 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3jza h SER 39 CO 0.06 0.12 -0.33 0.71 -1.14 0.00 0.00 176.83 176.25 3jza h THR 40 N 0.00 0.75 0.00 -2.27 1.35 -1.34 -3.40 112.91 108.00 3jza h THR 40 Ca -0.00 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3jza h THR 40 Cb 0.25 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3jza h THR 40 CO 0.02 0.32 -0.62 0.00 -0.25 0.00 0.00 175.52 174.99 3jza n ILE 41 N -3.43 0.00 -2.31 6.82 3.06 -0.72 -5.14 119.36 117.64 3jza n ILE 41 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3jza n ILE 41 Cb 0.51 -0.56 0.00 0.00 0.54 0.00 0.00 39.64 40.13 3jza n ILE 41 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3jza n GLY 42 N 2.20 -2.07 3.42 4.50 0.00 0.10 -5.03 105.19 108.30 3jza n GLY 42 Ca 0.00 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 3jza n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jza s VAL 43 N -0.11 0.53 -1.05 1.61 -7.23 -1.26 -4.92 120.40 107.98 3jza s VAL 43 Ca 0.00 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.29 3jza s VAL 43 Cb 0.00 -2.49 0.32 0.00 0.56 0.00 0.00 36.38 34.77 3jza s VAL 43 CO 0.00 0.00 1.25 -0.90 -0.31 0.00 0.00 175.10 175.14 3jza n ASP 44 N -1.07 2.94 -4.42 4.85 5.68 -1.26 -4.98 116.55 118.29 3jza n ASP 44 Ca -0.02 -1.96 -0.23 0.00 -0.50 0.00 0.00 54.79 52.08 3jza n ASP 44 Cb 0.65 -0.23 -0.10 0.00 -1.14 0.00 0.00 41.12 40.29 3jza n ASP 44 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3jza s PHE 45 N -1.00 2.11 0.14 2.11 -0.12 -1.26 -0.78 117.98 119.17 3jza s PHE 45 Ca 0.24 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 3jza s PHE 45 Cb 0.13 -0.97 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 3jza s PHE 45 CO 0.17 0.55 -0.05 0.15 -0.05 0.00 0.00 175.22 176.00 3jza s LYS 46 N -3.28 0.99 0.09 1.99 1.02 -0.01 -4.71 119.74 115.84 3jza s LYS 46 Ca 0.25 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 54.82 3jza s LYS 46 Cb -0.05 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.91 3jza s LYS 46 CO 0.11 -0.04 -0.07 0.96 -0.92 0.00 0.00 175.35 175.39 3jza s ILE 47 N -3.58 0.67 0.19 2.17 -4.36 0.31 -0.94 121.20 115.66 3jza s ILE 47 Ca 0.18 -1.83 -0.23 0.00 -0.26 0.00 0.00 60.65 58.50 3jza s ILE 47 Cb 0.05 -1.56 0.05 0.00 1.25 0.00 0.00 42.46 42.26 3jza s ILE 47 CO -0.00 -0.82 0.70 0.00 0.24 0.00 0.00 174.94 175.06 3jza s ARG 48 N -3.57 1.41 -0.05 0.37 1.70 -0.66 -0.73 118.95 117.41 3jza s ARG 48 Ca 0.09 -0.65 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 3jza s ARG 48 Cb 0.04 0.56 -0.01 0.00 -0.57 0.00 0.00 34.95 34.97 3jza s ARG 48 CO -0.04 -0.63 -0.24 0.99 -1.08 0.00 0.00 175.30 174.29 3jza s THR 49 N -3.71 2.00 0.28 4.99 2.01 -1.26 -1.13 115.64 118.82 3jza s THR 49 Ca 0.06 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.05 3jza s THR 49 Cb -0.03 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.73 3jza s THR 49 CO -0.04 0.56 0.04 0.27 -0.69 0.00 0.00 174.62 174.75 3jza s ILE 50 N -0.17 1.08 -0.15 1.82 -4.36 -0.37 -4.99 121.20 114.06 3jza s ILE 50 Ca -0.03 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 3jza s ILE 50 Cb -0.13 -2.60 0.02 0.00 1.25 0.00 0.00 42.46 40.99 3jza s ILE 50 CO 0.03 -0.13 -0.18 -1.61 0.24 0.00 0.00 174.94 173.30 3jza s GLU 51 N -3.89 2.62 -0.06 0.37 2.02 -1.26 -0.48 118.70 118.01 3jza s GLU 51 Ca 0.34 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.64 3jza s GLU 51 Cb 0.07 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 32.07 3jza s GLU 51 CO 0.13 -0.15 -0.05 -0.51 0.02 0.00 0.00 175.26 174.69 3jza s LEU 52 N 1.21 1.22 -1.58 1.80 1.43 -0.40 -4.85 118.68 117.50 3jza s LEU 52 Ca 0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3jza s LEU 52 Cb -0.14 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.51 3jza s LEU 52 CO -0.08 -0.08 0.34 0.47 0.23 0.00 0.00 176.35 177.23 3jza n ASP 53 N 4.36 -5.70 0.00 2.29 8.00 -1.26 -0.77 116.55 123.47 3jza n ASP 53 Ca -0.19 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3jza n ASP 53 Cb 0.51 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 3jza n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jza n GLY 54 N -1.26 0.82 3.52 0.44 0.00 -1.26 -5.02 105.19 102.43 3jza n GLY 54 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3jza n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jza s LYS 55 N -0.33 3.22 -0.24 1.61 -0.14 0.05 -5.09 119.74 118.82 3jza s LYS 55 Ca 0.00 -0.55 -0.20 0.00 -1.36 0.00 0.00 55.97 53.86 3jza s LYS 55 Cb 0.00 -2.73 -0.02 0.00 -1.68 0.00 0.00 37.83 33.40 3jza s LYS 55 CO 0.00 0.43 0.61 0.99 -0.76 0.00 0.00 175.35 176.62 3jza s THR 56 N -0.18 5.01 -0.14 2.17 2.01 -1.26 -1.28 115.64 121.97 3jza s THR 56 Ca 0.02 1.11 0.02 0.00 0.31 0.00 0.00 61.69 63.15 3jza s THR 56 Cb -0.13 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.48 3jza s THR 56 CO 0.03 0.06 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.19 3jza s ILE 57 N 2.34 1.86 -0.07 1.82 1.01 0.37 -0.76 121.20 127.77 3jza s ILE 57 Ca 0.26 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3jza s ILE 57 Cb -0.16 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3jza s ILE 57 CO 0.09 0.51 0.73 -0.75 0.00 0.00 0.00 174.94 175.52 3jza s LYS 58 N 1.06 4.44 -0.21 2.79 2.20 -0.21 -1.23 119.74 128.57 3jza s LYS 58 Ca -0.02 0.93 -0.08 0.00 -0.36 0.00 0.00 55.97 56.44 3jza s LYS 58 Cb -0.14 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3jza s LYS 58 CO -0.06 0.02 0.08 -0.51 -0.36 0.00 0.00 175.35 174.53 3jza s LEU 59 N 0.92 3.72 -0.16 5.43 1.43 -0.29 -0.26 118.68 129.47 3jza s LEU 59 Ca 0.39 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3jza s LEU 59 Cb -0.18 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3jza s LEU 59 CO 0.19 0.08 -0.13 -1.58 0.23 0.00 0.00 176.35 175.14 3jza s GLN 60 N 0.93 2.25 -0.16 1.70 0.74 -0.42 -1.65 119.66 123.05 3jza s GLN 60 Ca 0.04 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.80 3jza s GLN 60 Cb -0.14 -2.21 -0.00 0.00 1.10 0.00 0.00 33.01 31.75 3jza s GLN 60 CO 0.03 -0.29 -0.14 -1.50 -0.55 0.00 0.00 175.29 172.84 3jza s ILE 61 N 1.45 2.80 -0.32 -2.34 2.07 -0.11 -0.60 121.20 124.15 3jza s ILE 61 Ca 0.03 -0.73 -0.11 0.00 -1.41 0.00 0.00 60.65 58.43 3jza s ILE 61 Cb -0.14 -2.19 -0.02 0.00 0.13 0.00 0.00 42.46 40.24 3jza s ILE 61 CO -0.10 0.51 0.19 0.26 -1.91 0.00 0.00 174.94 173.89 3jza s TRP 62 N 0.78 3.20 -0.90 3.50 0.51 0.22 -0.83 118.94 125.43 3jza s TRP 62 Ca -0.05 -0.31 -0.13 0.00 -2.12 0.00 0.00 56.10 53.49 3jza s TRP 62 Cb -0.15 -2.41 0.23 0.00 -0.81 0.00 0.00 33.47 30.33 3jza s TRP 62 CO 0.01 -0.37 0.86 0.34 -0.51 0.00 0.00 176.95 177.28 3jza s ASP 63 N 1.68 6.88 0.11 2.95 2.15 0.04 -0.74 116.67 129.74 3jza s ASP 63 Ca 0.06 -2.87 -0.31 0.00 0.43 0.00 0.00 52.55 49.86 3jza s ASP 63 Cb -0.17 -2.22 -0.08 0.00 -0.30 0.00 0.00 42.92 40.16 3jza s ASP 63 CO 0.09 -0.53 1.36 -0.89 -0.17 0.00 0.00 175.17 175.03 3jza s THR 64 N -0.05 3.40 0.32 1.71 2.01 -1.26 -4.81 115.64 116.96 3jza s THR 64 Ca 0.21 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 3jza s THR 64 Cb -0.10 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 3jza s THR 64 CO -0.09 0.08 1.41 0.00 -0.69 0.00 0.00 174.62 175.33 3jza s ALA 65 N 1.05 3.56 0.00 7.40 0.00 -1.26 -2.56 121.76 129.95 3jza s ALA 65 Ca 0.63 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.98 3jza s ALA 65 Cb -0.36 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3jza s ALA 65 CO 0.30 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3jza n GLY 66 N 1.09 1.75 0.33 0.00 0.00 -1.26 -4.92 105.19 102.18 3jza n GLY 66 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3jza n GLY 66 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3jza h GLN 67 N 2.69 0.57 0.00 1.61 3.07 -1.86 -1.14 115.11 120.05 3jza h GLN 67 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3jza h GLN 67 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.43 3jza h GLN 67 CO 0.00 0.38 0.00 1.05 0.09 0.00 0.00 178.83 180.35 3jza h GLU 68 N 0.59 0.00 0.00 0.06 4.11 -1.85 -1.90 114.58 115.58 3jza h GLU 68 Ca 0.22 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.53 3jza h GLU 68 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3jza h GLU 68 CO -0.06 0.00 -0.87 0.00 0.07 0.00 0.00 179.01 178.15 3jza h ARG 69 N 0.00 0.00 -3.00 1.06 2.47 -1.62 -3.43 114.38 109.86 3jza h ARG 69 Ca 0.00 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.10 3jza h ARG 69 Cb 0.14 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 28.05 3jza h ARG 69 CO 0.00 0.40 -0.66 -0.06 0.56 0.00 0.00 179.97 180.21 3jza s PHE 70 N -2.96 2.98 -2.45 3.04 0.40 -0.72 -4.93 117.98 113.34 3jza s PHE 70 Ca 0.01 -3.07 0.23 0.00 -0.60 0.00 0.00 56.93 53.50 3jza s PHE 70 Cb 0.08 -2.36 0.48 0.00 0.51 0.00 0.00 43.02 41.73 3jza s PHE 70 CO 0.77 -0.64 1.43 0.54 0.70 0.00 0.00 175.22 178.02 3jza n ARG 71 N 2.41 2.36 -1.94 0.44 5.12 -1.26 -4.88 116.66 118.91 3jza n ARG 71 Ca 0.18 -2.06 -0.41 0.00 -1.93 0.00 0.00 57.85 53.64 3jza n ARG 71 Cb 0.37 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 3jza n ARG 71 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jza s THR 72 N -1.56 2.37 -0.50 0.55 -4.23 -1.26 -4.94 115.64 106.07 3jza s THR 72 Ca 0.37 0.36 -0.21 0.00 -1.18 0.00 0.00 61.69 61.03 3jza s THR 72 Cb 0.22 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.87 3jza s THR 72 CO 0.31 0.08 0.74 -0.63 -0.54 0.00 0.00 174.62 174.58 3jza s ILE 73 N -1.01 4.70 0.49 2.99 -1.09 -1.26 -4.98 121.20 121.03 3jza s ILE 73 Ca 0.52 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.94 3jza s ILE 73 Cb -0.43 -4.35 -0.02 0.00 -1.58 0.00 0.00 42.46 36.07 3jza s ILE 73 CO 0.57 -0.84 0.06 0.42 -1.23 0.00 0.00 174.94 173.92 3jza s THR 74 N 3.13 1.49 0.65 2.92 -4.23 -1.26 -5.01 115.64 113.32 3jza s THR 74 Ca 0.23 -1.92 0.39 0.00 -1.18 0.00 0.00 61.69 59.21 3jza s THR 74 Cb -0.15 -2.40 0.40 0.00 1.34 0.00 0.00 72.50 71.69 3jza s THR 74 CO 0.17 0.00 2.27 0.77 -0.54 0.00 0.00 174.62 177.29 3jza h SER 75 N 1.38 0.00 -0.22 3.99 4.64 -1.95 0.16 113.55 121.55 3jza h SER 75 Ca -0.43 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.95 3jza h SER 75 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3jza h SER 75 CO 0.73 0.00 0.28 0.28 -0.87 0.00 0.00 176.83 177.26 3jza h SER 76 N 0.00 0.00 0.25 4.97 0.02 -1.96 -0.88 113.55 115.95 3jza h SER 76 Ca 0.01 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.69 3jza h SER 76 Cb 0.14 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3jza h SER 76 CO -0.00 0.00 -1.99 -1.22 -1.14 0.00 0.00 176.83 172.48 3jza n TYR 77 N -3.62 0.43 0.26 3.45 4.01 0.53 -4.69 117.16 117.53 3jza n TYR 77 Ca 0.03 0.15 0.03 0.00 -0.16 0.00 0.00 57.90 57.95 3jza n TYR 77 Cb 0.41 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.44 3jza n TYR 77 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 3jza n TYR 78 N -2.79 0.00 -4.08 -0.72 0.18 -1.03 -5.01 117.16 103.72 3jza n TYR 78 Ca -0.21 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.43 3jza n TYR 78 Cb 1.01 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.84 3jza n TYR 78 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3jza s ARG 79 N -0.80 0.48 0.00 -3.48 3.52 -0.37 -4.36 118.95 113.95 3jza s ARG 79 Ca 0.06 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 3jza s ARG 79 Cb 0.05 -0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.15 3jza s ARG 79 CO 0.12 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.08 3jza n GLY 80 N 1.84 0.56 3.03 8.12 0.00 -1.26 -4.68 105.19 112.81 3jza n GLY 80 Ca -0.20 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 3jza n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jza s ALA 81 N -2.00 0.79 0.19 4.61 0.00 -1.26 -4.95 121.76 119.15 3jza s ALA 81 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 3jza s ALA 81 Cb 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.04 3jza s ALA 81 CO 0.00 0.19 1.47 0.45 0.00 0.00 0.00 175.76 177.87 3jza h HIS 82 N 5.83 0.52 -3.75 0.00 3.86 -0.97 -3.47 115.15 117.18 3jza h HIS 82 Ca -0.31 -0.22 -0.19 0.00 -1.16 0.00 0.00 60.37 58.50 3jza h HIS 82 Cb 1.18 -0.09 -0.24 0.00 1.06 0.00 0.00 27.41 29.33 3jza h HIS 82 CO 0.41 0.95 -0.65 0.20 0.86 0.00 0.00 177.93 179.70 3jza s GLY 83 N -4.28 0.09 -0.09 2.45 0.00 -0.93 -1.62 107.32 102.95 3jza s GLY 83 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.47 3jza s GLY 83 CO 0.83 -0.27 -0.14 -0.42 0.00 0.00 0.00 173.10 173.09 3jza s ILE 84 N -0.83 1.36 -0.20 0.90 1.01 0.94 -0.89 121.20 123.50 3jza s ILE 84 Ca -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 3jza s ILE 84 Cb -0.06 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.18 3jza s ILE 84 CO -0.00 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.60 3jza s ILE 85 N 0.78 2.68 -0.19 2.92 1.09 0.89 -1.36 121.20 128.01 3jza s ILE 85 Ca -0.12 -0.76 -0.02 0.00 -1.10 0.00 0.00 60.65 58.66 3jza s ILE 85 Cb -0.16 -2.19 -0.00 0.00 -1.06 0.00 0.00 42.46 39.05 3jza s ILE 85 CO 0.02 0.46 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.54 3jza s VAL 86 N 1.37 3.05 -0.18 2.92 1.01 -0.30 -0.44 120.40 127.84 3jza s VAL 86 Ca 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3jza s VAL 86 Cb -0.14 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3jza s VAL 86 CO -0.08 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 3jza s VAL 87 N 1.20 3.03 0.35 2.92 1.01 -0.26 -0.46 120.40 128.21 3jza s VAL 87 Ca 0.02 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3jza s VAL 87 Cb -0.14 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 3jza s VAL 87 CO -0.03 0.48 -0.08 -0.72 0.00 0.00 0.00 175.10 174.75 3jza s TYR 88 N 0.98 2.43 -0.24 5.22 -0.85 0.07 -4.51 117.35 120.46 3jza s TYR 88 Ca -0.01 -0.52 -0.09 0.00 -0.52 0.00 0.00 57.07 55.92 3jza s TYR 88 Cb -0.15 -1.45 -0.04 0.00 0.38 0.00 0.00 41.96 40.70 3jza s TYR 88 CO -0.01 0.56 0.12 0.34 -1.52 0.00 0.00 175.55 175.04 3jza s ASP 89 N -3.63 5.76 0.42 -0.18 -1.08 -1.26 -0.94 116.67 115.75 3jza s ASP 89 Ca 0.33 0.00 0.28 0.00 -0.52 0.00 0.00 52.55 52.65 3jza s ASP 89 Cb 0.04 -2.03 1.03 0.00 -1.46 0.00 0.00 42.92 40.49 3jza s ASP 89 CO 0.17 0.04 1.83 0.58 0.52 0.00 0.00 175.17 178.31 3jza h VAL 90 N 5.19 0.00 -0.10 1.11 2.07 -0.85 -0.21 116.25 123.46 3jza h VAL 90 Ca -0.37 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3jza h VAL 90 Cb 1.18 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3jza h VAL 90 CO 0.62 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.56 3jza n THR 91 N -2.78 0.13 -3.55 2.57 -2.24 -1.26 -1.87 114.28 105.27 3jza n THR 91 Ca 0.02 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3jza n THR 91 Cb 0.34 0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.59 3jza n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jza s ASP 92 N -1.63 2.98 0.28 3.42 -1.08 -0.09 -4.66 116.67 115.90 3jza s ASP 92 Ca 0.32 -1.02 -0.03 0.00 -0.52 0.00 0.00 52.55 51.31 3jza s ASP 92 Cb 0.17 -0.22 0.40 0.00 -1.46 0.00 0.00 42.92 41.80 3jza s ASP 92 CO 0.26 -0.41 1.92 -0.61 0.52 0.00 0.00 175.17 176.86 3jza h GLN 93 N 8.40 1.07 0.00 4.34 5.75 -1.85 -2.11 115.11 130.71 3jza h GLN 93 Ca -0.18 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.15 3jza h GLN 93 Cb 1.06 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 3jza h GLN 93 CO 0.38 0.76 -0.32 1.05 -2.65 0.00 0.00 178.83 178.05 3jza h GLU 94 N 1.09 0.00 0.01 1.69 4.11 -1.94 -1.31 114.58 118.22 3jza h GLU 94 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.71 3jza h GLU 94 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3jza h GLU 94 CO -0.05 0.32 -0.00 1.03 0.07 0.00 0.00 179.01 180.38 3jza h SER 95 N 0.00 -0.01 -0.05 3.06 0.87 -1.70 -0.07 113.55 115.64 3jza h SER 95 Ca -0.00 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3jza h SER 95 Cb 0.69 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3jza h SER 95 CO 0.04 0.08 0.03 0.22 -0.53 0.00 0.00 176.83 176.68 3jza h TYR 96 N -0.10 0.07 -0.64 2.24 3.20 -1.12 -1.45 116.97 119.17 3jza h TYR 96 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3jza h TYR 96 Cb 0.09 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 3jza h TYR 96 CO -0.05 0.10 0.27 0.00 -1.64 0.00 0.00 178.16 176.84 3jza h ALA 97 N 0.96 0.85 -0.01 1.82 0.00 -1.10 -0.56 119.26 121.23 3jza h ALA 97 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jza h ALA 97 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jza h ALA 97 CO -0.00 -0.15 0.01 -0.91 0.00 0.00 0.00 179.25 178.20 3jza h ASN 98 N 0.47 0.01 0.22 0.00 2.35 -0.90 -2.74 115.58 115.00 3jza h ASN 98 Ca 0.32 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 3jza h ASN 98 Cb 0.38 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3jza h ASN 98 CO -0.30 0.09 -0.19 -0.37 -1.65 0.00 0.00 177.43 175.02 3jza h VAL 99 N -0.06 1.05 -0.29 2.81 -1.51 -0.81 0.03 116.25 117.46 3jza h VAL 99 Ca 0.00 -0.66 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 3jza h VAL 99 Cb 0.08 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 3jza h VAL 99 CO -0.00 0.18 0.10 0.50 -1.23 0.00 0.00 177.57 177.12 3jza h LYS 100 N 0.00 0.45 -0.14 5.19 3.64 -0.97 0.16 116.57 124.90 3jza h LYS 100 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3jza h LYS 100 Cb 0.35 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3jza h LYS 100 CO 0.02 0.49 0.09 0.37 -2.27 0.00 0.00 179.45 178.16 3jza h GLN 101 N 0.32 0.18 -0.59 1.90 4.15 -1.16 0.18 115.11 120.09 3jza h GLN 101 Ca 0.10 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3jza h GLN 101 Cb 0.22 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3jza h GLN 101 CO -0.00 0.12 0.30 -1.49 -1.93 0.00 0.00 178.83 175.82 3jza h TRP 102 N 0.18 0.84 -0.43 3.99 6.55 -0.38 -2.31 115.95 124.39 3jza h TRP 102 Ca 0.05 -0.04 -0.09 0.00 0.95 0.00 0.00 58.89 59.76 3jza h TRP 102 Cb -0.02 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.00 3jza h TRP 102 CO -0.07 0.63 -0.12 -0.07 -1.05 0.00 0.00 178.44 177.77 3jza h LEU 103 N 0.80 0.77 -0.33 -4.49 3.38 -0.55 0.21 115.31 115.11 3jza h LEU 103 Ca 0.20 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3jza h LEU 103 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3jza h LEU 103 CO -0.03 0.90 0.07 1.56 0.09 0.00 0.00 178.44 181.04 3jza h GLN 104 N 0.70 0.19 -0.54 1.13 4.20 -0.70 0.16 115.11 120.24 3jza h GLN 104 Ca 0.12 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3jza h GLN 104 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3jza h GLN 104 CO 0.04 0.12 -0.06 0.93 -0.67 0.00 0.00 178.83 179.19 3jza h GLU 105 N 0.19 0.98 -0.66 1.46 5.08 -1.20 -1.62 114.58 118.81 3jza h GLU 105 Ca 0.15 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3jza h GLU 105 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3jza h GLU 105 CO -0.19 1.00 0.13 0.82 -1.00 0.00 0.00 179.01 179.77 3jza h ILE 106 N 0.88 1.26 -0.77 3.13 2.04 -0.19 -2.53 117.51 121.33 3jza h ILE 106 Ca 0.15 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3jza h ILE 106 Cb 0.60 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3jza h ILE 106 CO 0.04 0.37 0.50 -0.78 0.00 0.00 0.00 178.15 178.28 3jza h ASP 107 N 1.01 0.88 -0.82 1.72 3.58 -0.47 0.12 116.42 122.44 3jza h ASP 107 Ca 0.21 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3jza h ASP 107 Cb 0.40 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 3jza h ASP 107 CO 0.01 0.64 0.48 -0.09 -2.88 0.00 0.00 179.24 177.40 3jza h ARG 108 N 1.04 1.12 0.00 0.28 2.43 -0.86 -3.33 114.38 115.06 3jza h ARG 108 Ca 0.28 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3jza h ARG 108 Cb -0.11 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.19 3jza h ARG 108 CO -0.06 0.79 -1.86 0.66 -1.51 0.00 0.00 179.97 177.99 3jza n TYR 109 N -4.44 0.00 -1.99 2.20 4.01 -1.02 -5.03 117.16 110.90 3jza n TYR 109 Ca 0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.49 3jza n TYR 109 Cb 0.07 -0.51 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 3jza n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jza s ALA 110 N -2.91 2.63 0.45 -0.72 0.00 0.37 -4.99 121.76 116.59 3jza s ALA 110 Ca -0.07 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 3jza s ALA 110 Cb 0.09 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3jza s ALA 110 CO 0.68 -0.96 1.23 0.45 0.00 0.00 0.00 175.76 177.16 3jza n SER 111 N -2.02 2.28 0.30 0.00 2.88 -1.26 -4.90 113.62 110.89 3jza n SER 111 Ca 0.10 1.06 0.18 0.00 -1.33 0.00 0.00 58.87 58.88 3jza n SER 111 Cb 0.52 -1.48 0.99 0.00 -0.75 0.00 0.00 64.21 63.49 3jza n SER 111 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3jza h GLU 112 N 1.83 0.00 -0.06 -1.46 5.08 -1.95 -2.83 114.58 115.19 3jza h GLU 112 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3jza h GLU 112 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3jza h GLU 112 CO 0.59 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.69 3jza n ASN 113 N -3.52 0.06 -4.51 1.42 4.13 -1.26 -4.74 115.26 106.83 3jza n ASN 113 Ca -0.02 -1.50 -0.35 0.00 1.68 0.00 0.00 54.58 54.39 3jza n ASN 113 Cb 0.15 -0.03 -0.12 0.00 -1.54 0.00 0.00 39.78 38.24 3jza n ASN 113 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3jza s VAL 114 N -1.92 4.27 0.27 2.41 1.01 -1.07 -4.98 120.40 120.38 3jza s VAL 114 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3jza s VAL 114 Cb 0.00 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3jza s VAL 114 CO 0.00 0.42 1.01 0.20 0.00 0.00 0.00 175.10 176.73 3jza s ASN 115 N 0.89 7.45 0.16 3.32 -0.87 -0.64 -4.93 114.94 120.33 3jza s ASN 115 Ca 0.02 2.07 0.02 0.00 -1.57 0.00 0.00 52.86 53.41 3jza s ASN 115 Cb -0.14 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.43 3jza s ASN 115 CO 0.02 0.01 -0.02 -0.54 -2.57 0.00 0.00 177.10 174.00 3jza s LYS 116 N -1.37 1.08 -0.21 -0.60 1.02 -1.26 -0.04 119.74 118.36 3jza s LYS 116 Ca 0.43 -1.51 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 3jza s LYS 116 Cb -0.28 -0.34 0.07 0.00 -0.52 0.00 0.00 37.83 36.76 3jza s LYS 116 CO 0.35 -0.08 0.51 -1.17 -0.92 0.00 0.00 175.35 174.04 3jza s LEU 117 N -3.17 -0.46 -0.21 3.17 2.96 -0.46 -4.13 118.68 116.37 3jza s LEU 117 Ca 0.21 1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 55.11 3jza s LEU 117 Cb 0.05 1.72 -0.04 0.00 0.50 0.00 0.00 46.19 48.42 3jza s LEU 117 CO 0.03 -0.21 0.35 -0.22 -1.32 0.00 0.00 176.35 174.97 3jza s LEU 118 N 1.66 4.14 -0.15 -0.68 2.96 -0.59 -1.15 118.68 124.86 3jza s LEU 118 Ca -0.09 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3jza s LEU 118 Cb -0.08 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.20 3jza s LEU 118 CO -0.15 -0.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.93 3jza s VAL 119 N 1.30 2.13 -0.46 1.68 1.01 0.40 -1.05 120.40 125.40 3jza s VAL 119 Ca 0.16 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3jza s VAL 119 Cb -0.15 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.43 3jza s VAL 119 CO 0.07 0.54 0.39 -0.83 0.00 0.00 0.00 175.10 175.27 3jza s GLY 120 N 0.96 2.04 0.09 4.51 0.00 0.83 -0.75 107.32 115.01 3jza s GLY 120 Ca -0.03 -2.04 0.01 0.00 0.00 0.00 0.00 44.72 42.66 3jza s GLY 120 CO -0.05 1.04 0.22 0.21 0.00 0.00 0.00 173.10 174.52 3jza s ASN 121 N 2.46 6.24 -0.25 1.64 2.47 -0.12 0.14 114.94 127.53 3jza s ASN 121 Ca 0.04 0.20 -0.03 0.00 0.42 0.00 0.00 52.86 53.50 3jza s ASN 121 Cb -0.23 -1.88 0.11 0.00 -1.45 0.00 0.00 41.25 37.79 3jza s ASN 121 CO 0.07 0.13 0.21 -0.75 -3.72 0.00 0.00 177.10 173.05 3jza s LYS 122 N -2.73 0.22 0.10 0.43 2.47 -0.68 -0.12 119.74 119.44 3jza s LYS 122 Ca 0.34 -0.12 -0.14 0.00 -1.56 0.00 0.00 55.97 54.50 3jza s LYS 122 Cb -0.12 -1.07 -0.12 0.00 -1.46 0.00 0.00 37.83 35.06 3jza s LYS 122 CO 0.27 -0.87 1.36 0.77 0.16 0.00 0.00 175.35 177.04 3jza h SER 123 N 8.33 0.86 -4.29 1.43 0.02 -1.86 -3.38 113.55 114.65 3jza h SER 123 Ca -0.16 -0.56 -0.52 0.00 -0.84 0.00 0.00 61.79 59.71 3jza h SER 123 Cb 1.09 -0.25 -0.26 0.00 0.14 0.00 0.00 62.40 63.12 3jza h SER 123 CO 0.34 1.26 -0.82 -1.81 -1.14 0.00 0.00 176.83 174.65 3jza s ASP 124 N -6.83 2.08 0.07 3.07 1.11 -1.26 -5.03 116.67 109.88 3jza s ASP 124 Ca -0.11 -0.45 0.08 0.00 0.18 0.00 0.00 52.55 52.25 3jza s ASP 124 Cb 0.09 -0.18 0.38 0.00 1.07 0.00 0.00 42.92 44.28 3jza s ASP 124 CO 0.87 0.13 1.24 0.00 1.18 0.00 0.00 175.17 178.59 3jza n LEU 125 N 2.07 0.14 0.00 1.23 -0.00 -1.26 -3.81 117.00 115.37 3jza n LEU 125 Ca -0.17 0.56 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 3jza n LEU 125 Cb 0.54 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 3jza n LEU 125 CO 0.23 -0.55 0.02 0.35 -0.00 0.00 0.00 177.39 177.44 3jza n THR 126 N -1.68 0.00 -1.76 1.47 -2.24 -1.26 -5.03 114.28 103.78 3jza n THR 126 Ca 0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 3jza n THR 126 Cb 0.05 1.05 0.16 0.00 -2.10 0.00 0.00 70.33 69.49 3jza n THR 126 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jza s THR 127 N -0.49 1.95 -0.19 4.28 -4.23 -1.25 -5.07 115.64 110.65 3jza s THR 127 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3jza s THR 127 Cb 0.00 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 3jza s THR 127 CO 0.00 0.00 0.11 -0.54 -0.54 0.00 0.00 174.62 173.65 3jza s LYS 128 N -5.65 4.11 0.28 3.99 1.02 -1.26 -5.08 119.74 117.14 3jza s LYS 128 Ca 0.69 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.13 3jza s LYS 128 Cb -0.08 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 3jza s LYS 128 CO 0.52 0.31 1.14 0.21 -0.92 0.00 0.00 175.35 176.60 3jza s LYS 129 N 0.32 4.59 0.00 1.68 2.47 -1.26 -4.20 119.74 123.34 3jza s LYS 129 Ca 0.07 1.87 0.00 0.00 -1.56 0.00 0.00 55.97 56.34 3jza s LYS 129 Cb -0.11 -3.18 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 3jza s LYS 129 CO -0.01 0.13 0.00 1.33 0.16 0.00 0.00 175.35 176.96 3jza n VAL 130 N 1.24 0.00 -3.23 4.02 0.24 -0.78 -4.95 118.33 114.86 3jza n VAL 130 Ca -0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3jza n VAL 130 Cb 0.44 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 3jza n VAL 130 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3jza s VAL 131 N 0.00 4.98 -0.05 3.34 1.01 -0.88 -4.91 120.40 123.90 3jza s VAL 131 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 3jza s VAL 131 Cb 0.00 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3jza s VAL 131 CO 0.00 -0.42 2.01 -0.67 0.00 0.00 0.00 175.10 176.01 3jza n ASP 132 N 5.86 3.77 0.28 3.32 -0.08 -1.26 -4.89 116.55 123.54 3jza n ASP 132 Ca -0.05 0.78 0.15 0.00 -1.51 0.00 0.00 54.79 54.16 3jza n ASP 132 Cb 0.48 -1.48 0.78 0.00 2.34 0.00 0.00 41.12 43.23 3jza n ASP 132 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3jza h ASN 133 N 11.11 0.00 -0.70 1.67 -1.07 -1.99 -1.17 115.58 123.44 3jza h ASN 133 Ca -0.47 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.85 3jza h ASN 133 Cb 1.25 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.47 3jza h ASN 133 CO 0.95 0.08 0.25 0.74 0.07 0.00 0.00 177.43 179.52 3jza h THR 134 N 0.00 1.25 -0.17 6.14 2.02 -1.98 0.38 112.91 120.55 3jza h THR 134 Ca -0.00 -0.84 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 3jza h THR 134 Cb 0.35 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3jza h THR 134 CO 0.01 0.33 -0.50 0.71 0.37 0.00 0.00 175.52 176.44 3jza h THR 135 N 1.05 1.33 -0.23 3.16 1.35 -1.62 0.19 112.91 118.14 3jza h THR 135 Ca 0.24 -1.75 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 3jza h THR 135 Cb 0.26 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3jza h THR 135 CO -0.01 0.54 -0.03 0.00 -0.25 0.00 0.00 175.52 175.77 3jza h ALA 136 N 0.56 0.31 -0.26 6.62 0.00 -1.22 0.62 119.26 125.88 3jza h ALA 136 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3jza h ALA 136 Cb 1.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3jza h ALA 136 CO 0.11 0.07 0.07 1.57 0.00 0.00 0.00 179.25 181.07 3jza h LYS 137 N 0.17 0.17 -0.62 0.00 2.10 -0.26 0.19 116.57 118.32 3jza h LYS 137 Ca 0.06 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.80 3jza h LYS 137 Cb 0.46 -0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.68 3jza h LYS 137 CO 0.02 0.11 0.24 1.05 -2.00 0.00 0.00 179.45 178.87 3jza h GLU 138 N 0.18 0.41 -0.60 0.07 9.09 -0.42 0.18 114.58 123.49 3jza h GLU 138 Ca 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.48 3jza h GLU 138 Cb 0.11 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 27.09 3jza h GLU 138 CO -0.14 0.27 0.29 0.35 0.05 0.00 0.00 179.01 179.83 3jza h PHE 139 N 0.42 0.86 -0.69 2.06 3.57 -0.41 -2.29 116.94 120.46 3jza h PHE 139 Ca 0.32 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 3jza h PHE 139 Cb 0.39 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3jza h PHE 139 CO -0.16 0.65 0.16 0.00 -2.23 0.00 0.00 178.31 176.73 3jza h ALA 140 N 1.12 0.99 -0.30 2.41 0.00 0.00 -2.48 119.26 121.00 3jza h ALA 140 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3jza h ALA 140 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3jza h ALA 140 CO -0.03 0.66 -0.27 -0.44 0.00 0.00 0.00 179.25 179.17 3jza h ASP 141 N 1.04 0.61 -0.30 0.00 3.32 -0.55 0.30 116.42 120.84 3jza h ASP 141 Ca 0.22 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3jza h ASP 141 Cb 0.37 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3jza h ASP 141 CO 0.00 0.86 0.12 0.77 -1.72 0.00 0.00 179.24 179.27 3jza h SER 142 N 0.52 0.48 0.13 6.45 4.64 -0.96 0.10 113.55 124.92 3jza h SER 142 Ca 0.07 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3jza h SER 142 Cb 0.74 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3jza h SER 142 CO 0.06 0.47 -0.46 0.18 -0.87 0.00 0.00 176.83 176.20 3jza n LEU 143 N -4.36 1.38 -1.01 5.97 4.77 -1.09 -4.95 117.00 117.70 3jza n LEU 143 Ca 0.02 -0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 55.49 3jza n LEU 143 Cb 0.16 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3jza n LEU 143 CO 0.37 0.27 0.03 0.61 -1.33 0.00 0.00 177.39 177.34 3jza n GLY 144 N 1.41 0.58 3.31 -0.72 0.00 0.35 -5.04 105.19 105.07 3jza n GLY 144 Ca 0.09 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 3jza n GLY 144 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jza s ILE 145 N -2.91 1.78 0.68 -0.61 -4.36 0.86 -4.99 121.20 111.65 3jza s ILE 145 Ca 0.10 -1.66 -0.15 0.00 -0.26 0.00 0.00 60.65 58.68 3jza s ILE 145 Cb -0.04 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 42.01 3jza s ILE 145 CO 0.12 -0.12 1.13 -2.16 0.24 0.00 0.00 174.94 174.15 3jza s PRO 146 N -2.16 2.61 0.00 0.37 0.04 -1.26 -4.20 135.00 130.40 3jza s PRO 146 Ca 0.09 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3jza s PRO 146 Cb -0.09 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3jza s PRO 146 CO 0.05 -1.42 -0.16 0.12 0.04 0.00 0.00 177.00 175.63 3jza s PHE 147 N -2.26 1.46 -0.02 0.56 5.36 -1.26 -1.55 117.98 120.27 3jza s PHE 147 Ca 0.69 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3jza s PHE 147 Cb -0.23 -0.91 0.03 0.00 -0.34 0.00 0.00 43.02 41.57 3jza s PHE 147 CO 0.43 0.00 0.02 -1.17 -1.46 0.00 0.00 175.22 173.04 3jza s LEU 148 N -0.63 1.18 -0.20 6.12 2.96 -0.22 -4.97 118.68 122.92 3jza s LEU 148 Ca 0.06 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3jza s LEU 148 Cb -0.07 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 3jza s LEU 148 CO 0.00 -0.11 0.09 -1.83 -1.32 0.00 0.00 176.35 173.18 3jza s GLU 149 N 0.97 3.99 0.09 1.98 -1.05 -1.26 -0.12 118.70 123.30 3jza s GLU 149 Ca -0.08 -0.33 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 3jza s GLU 149 Cb -0.12 -3.31 -0.03 0.00 -0.44 0.00 0.00 34.13 30.23 3jza s GLU 149 CO -0.02 0.19 -0.12 -0.08 0.95 0.00 0.00 175.26 176.18 3jza s THR 150 N 0.62 1.04 0.00 1.83 -1.32 0.12 -4.95 115.64 112.98 3jza s THR 150 Ca 0.05 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 3jza s THR 150 Cb -0.13 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 3jza s THR 150 CO 0.01 -0.40 0.00 -0.24 -2.21 0.00 0.00 174.62 171.79 3jza n SER 151 N 0.89 0.00 -2.47 8.08 2.88 -1.26 -1.68 113.62 120.06 3jza n SER 151 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3jza n SER 151 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3jza n SER 151 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3jza n ASN 154 N -0.33 -5.78 0.09 -3.46 5.15 -1.26 -4.59 115.26 105.07 3jza n ASN 154 Ca 0.00 0.63 -0.19 0.00 -0.60 0.00 0.00 54.58 54.42 3jza n ASN 154 Cb 0.00 -1.21 -0.11 0.00 -0.53 0.00 0.00 39.78 37.93 3jza n ASN 154 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jza h ALA 155 N 4.04 0.11 -0.83 5.20 0.00 -2.02 -3.41 119.26 122.36 3jza h ALA 155 Ca 0.00 -0.77 0.26 0.00 0.00 0.00 0.00 54.91 54.40 3jza h ALA 155 Cb 0.21 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 3jza h ALA 155 CO 0.00 0.77 0.13 2.41 0.00 0.00 0.00 179.25 182.56 3jza n THR 156 N -3.74 -0.35 0.27 0.00 -1.04 -1.26 -0.92 114.28 107.24 3jza n THR 156 Ca -0.11 1.78 0.13 0.00 -2.04 0.00 0.00 64.05 63.81 3jza n THR 156 Cb 0.95 -2.67 0.31 0.00 -1.82 0.00 0.00 70.33 67.09 3jza n THR 156 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3jza h ASN 157 N 0.00 0.00 -0.17 8.00 -1.07 -1.97 -2.79 115.58 117.57 3jza h ASN 157 Ca 0.55 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.88 3jza h ASN 157 Cb 1.25 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3jza h ASN 157 CO -0.74 0.00 -0.07 0.58 0.07 0.00 0.00 177.43 177.27 3jza h VAL 158 N 0.00 1.30 -0.47 6.14 2.07 -1.32 -1.77 116.25 122.20 3jza h VAL 158 Ca 0.00 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3jza h VAL 158 Cb 0.86 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 3jza h VAL 158 CO 0.00 0.32 0.25 -0.08 0.02 0.00 0.00 177.57 178.08 3jza h GLU 159 N 0.04 0.48 -0.87 1.57 4.57 -1.52 -1.18 114.58 117.67 3jza h GLU 159 Ca 0.04 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 3jza h GLU 159 Cb 0.53 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 3jza h GLU 159 CO 0.02 0.32 0.57 1.96 -1.18 0.00 0.00 179.01 180.70 3jza h GLN 160 N 0.49 0.87 -0.33 1.92 7.50 -1.43 -0.86 115.11 123.28 3jza h GLN 160 Ca 0.20 -0.05 -0.11 0.00 0.50 0.00 0.00 58.65 59.19 3jza h GLN 160 Cb 0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 3jza h GLN 160 CO -0.13 0.58 -0.21 0.00 -1.50 0.00 0.00 178.83 177.58 3jza h ALA 161 N 1.55 0.47 -0.57 3.87 0.00 -0.72 -0.10 119.26 123.75 3jza h ALA 161 Ca 0.40 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3jza h ALA 161 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3jza h ALA 161 CO -0.16 0.42 0.07 0.74 0.00 0.00 0.00 179.25 180.32 3jza h PHE 162 N 0.49 1.03 -0.35 0.00 0.04 -0.82 0.35 116.94 117.68 3jza h PHE 162 Ca 0.07 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3jza h PHE 162 Cb 0.75 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3jza h PHE 162 CO 0.06 0.91 0.11 0.52 -0.60 0.00 0.00 178.31 179.31 3jza h MET 163 N 0.86 0.55 -0.42 1.51 2.86 -1.06 0.18 114.93 119.42 3jza h MET 163 Ca 0.17 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3jza h MET 163 Cb 0.45 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3jza h MET 163 CO 0.02 0.57 0.26 1.15 1.06 0.00 0.00 176.91 179.97 3jza h THR 164 N 0.42 1.12 -0.47 2.22 2.02 -0.88 0.14 112.91 117.49 3jza h THR 164 Ca 0.11 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3jza h THR 164 Cb 0.25 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3jza h THR 164 CO -0.00 0.12 0.29 -0.03 0.37 0.00 0.00 175.52 176.27 3jza h MET 165 N 0.56 0.62 -0.86 6.66 -1.53 -0.68 -0.83 114.93 118.88 3jza h MET 165 Ca 0.15 -0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.40 3jza h MET 165 Cb -0.03 -0.13 -0.05 0.00 -0.55 0.00 0.00 31.60 30.83 3jza h MET 165 CO -0.03 0.44 0.55 0.00 0.14 0.00 0.00 176.91 178.01 3jza h ALA 166 N 1.15 1.13 -0.76 0.39 0.00 -0.39 -0.72 119.26 120.06 3jza h ALA 166 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3jza h ALA 166 Cb -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3jza h ALA 166 CO -0.03 0.38 0.48 0.00 0.00 0.00 0.00 179.25 180.08 3jza h ALA 167 N 1.36 0.99 -0.22 0.00 0.00 -0.56 -1.33 119.26 119.51 3jza h ALA 167 Ca 0.34 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 3jza h ALA 167 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3jza h ALA 167 CO -0.12 0.29 -0.60 0.93 0.00 0.00 0.00 179.25 179.75 3jza h GLU 168 N 0.94 0.72 -0.19 0.00 4.39 -0.53 -2.45 114.58 117.47 3jza h GLU 168 Ca 0.30 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.53 3jza h GLU 168 Cb 0.01 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3jza h GLU 168 CO -0.11 1.11 0.08 0.82 -1.16 0.00 0.00 179.01 179.76 3jza h ILE 169 N 0.54 0.98 -0.79 3.13 2.04 -1.05 -2.94 117.51 119.42 3jza h ILE 169 Ca -0.00 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.91 3jza h ILE 169 Cb 1.19 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3jza h ILE 169 CO 0.12 0.03 0.41 0.50 0.00 0.00 0.00 178.15 179.22 3jza h LYS 170 N 0.18 0.64 -0.50 2.37 3.64 -1.07 -1.71 116.57 120.12 3jza h LYS 170 Ca 0.08 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3jza h LYS 170 Cb 0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3jza h LYS 170 CO -0.07 0.42 0.33 0.87 -2.27 0.00 0.00 179.45 178.74 3jza h LYS 171 N 0.66 0.51 0.00 1.90 1.57 -1.26 -2.66 116.57 117.28 3jza h LYS 171 Ca 0.40 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.03 3jza h LYS 171 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3jza h LYS 171 CO -0.30 0.33 -1.06 0.00 -0.57 0.00 0.00 179.45 177.86 3jza h ARG 172 N 0.52 0.00 -0.01 3.15 3.08 -1.32 -3.52 114.38 116.28 3jza h ARG 172 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3jza h ARG 172 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3jza h ARG 172 CO -0.05 0.31 0.00 -1.33 -1.07 0.00 0.00 179.97 177.83