#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s TYR 3 N 0.00 2.29 0.37 0.00 -0.85 -1.26 -5.09 117.35 112.81 3ag3 s TYR 3 Ca 0.00 -0.55 -0.28 0.00 -0.52 0.00 0.00 57.07 55.72 3ag3 s TYR 3 Cb 0.00 -1.31 -0.11 0.00 0.38 0.00 0.00 41.96 40.92 3ag3 s TYR 3 CO 0.00 0.50 1.41 -2.30 -1.52 0.00 0.00 175.55 173.65 3ag3 n PRO 4 N -0.74 2.44 -1.96 -3.49 -0.02 -1.26 -2.37 135.00 127.60 3ag3 n PRO 4 Ca -0.05 0.86 -0.17 0.00 -2.02 0.00 0.00 63.50 62.11 3ag3 n PRO 4 Cb 0.63 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3ag3 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag3 n MET 5 N 0.41 -1.65 -2.10 -0.52 2.81 -1.26 -4.96 117.12 109.85 3ag3 n MET 5 Ca 0.03 0.93 -0.41 0.00 -1.81 0.00 0.00 57.70 56.44 3ag3 n MET 5 Cb 0.38 -5.41 -0.02 0.00 -0.71 0.00 0.00 33.22 27.46 3ag3 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag3 s GLN 6 N -4.26 4.34 -0.20 0.03 0.74 -1.00 -4.93 119.66 114.38 3ag3 s GLN 6 Ca 0.00 2.21 0.10 0.00 0.05 0.00 0.00 55.36 57.72 3ag3 s GLN 6 Cb 0.00 -3.10 -0.22 0.00 1.10 0.00 0.00 33.01 30.79 3ag3 s GLN 6 CO 0.00 -0.25 0.04 1.28 -0.55 0.00 0.00 175.29 175.81 3ag3 n LEU 7 N 1.43 1.36 0.00 3.68 4.77 -1.26 -5.06 117.00 121.92 3ag3 n LEU 7 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3ag3 n LEU 7 Cb 0.42 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3ag3 n LEU 7 CO 0.59 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3ag3 n GLY 8 N 1.93 6.37 3.79 -0.72 0.00 -1.26 -5.13 105.19 110.17 3ag3 n GLY 8 Ca -0.36 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 3ag3 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag3 s PHE 9 N 1.52 2.81 0.61 1.61 0.40 -1.26 -5.00 117.98 118.67 3ag3 s PHE 9 Ca 0.00 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.67 3ag3 s PHE 9 Cb 0.00 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 3ag3 s PHE 9 CO 0.00 -1.40 1.29 -0.65 0.70 0.00 0.00 175.22 175.16 3ag3 s GLN 10 N -4.10 2.76 0.41 0.44 -0.21 -1.26 -4.92 119.66 112.78 3ag3 s GLN 10 Ca 0.65 2.06 -0.25 0.00 0.02 0.00 0.00 55.36 57.84 3ag3 s GLN 10 Cb -0.18 -1.95 -0.11 0.00 1.00 0.00 0.00 33.01 31.77 3ag3 s GLN 10 CO 0.39 -1.43 1.05 -0.25 -2.12 0.00 0.00 175.29 172.93 3ag3 n ASP 11 N -1.65 1.48 -4.72 5.90 10.43 -1.26 -4.88 116.55 121.85 3ag3 n ASP 11 Ca 0.14 1.06 -0.42 0.00 2.57 0.00 0.00 54.79 58.14 3ag3 n ASP 11 Cb 0.48 -1.37 -0.03 0.00 1.84 0.00 0.00 41.12 42.03 3ag3 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ag3 s ALA 12 N -1.25 3.41 -0.20 2.24 0.00 -1.26 -4.79 121.76 119.92 3ag3 s ALA 12 Ca 0.62 0.88 0.22 0.00 0.00 0.00 0.00 51.96 53.68 3ag3 s ALA 12 Cb -0.56 -3.43 -0.29 0.00 0.00 0.00 0.00 23.12 18.84 3ag3 s ALA 12 CO 0.57 -0.40 0.59 2.41 0.00 0.00 0.00 175.76 178.93 3ag3 n THR 13 N 3.41 0.04 -4.40 0.00 -1.04 0.31 -4.89 114.28 107.71 3ag3 n THR 13 Ca 0.07 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.05 61.42 3ag3 n THR 13 Cb 0.46 0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 68.98 3ag3 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag3 s SER 14 N -4.34 3.16 0.36 8.00 1.04 -1.25 -1.32 113.70 119.35 3ag3 s SER 14 Ca -0.05 -0.93 0.09 0.00 0.48 0.00 0.00 55.95 55.53 3ag3 s SER 14 Cb 0.14 -0.23 0.81 0.00 0.10 0.00 0.00 66.02 66.85 3ag3 s SER 14 CO 0.89 0.02 1.89 -0.65 0.98 0.00 0.00 173.24 176.37 3ag3 h PRO 15 N 2.85 0.67 -0.38 4.02 0.11 -1.95 -1.83 132.00 135.50 3ag3 h PRO 15 Ca -0.42 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3ag3 h PRO 15 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3ag3 h PRO 15 CO 0.54 0.44 0.04 0.82 -0.21 0.00 0.00 178.00 179.64 3ag3 h ILE 16 N 0.69 1.25 -0.96 4.15 1.08 -1.93 -1.54 117.51 120.24 3ag3 h ILE 16 Ca 0.42 -0.90 0.08 0.00 -0.39 0.00 0.00 64.86 64.07 3ag3 h ILE 16 Cb 0.64 1.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 3ag3 h ILE 16 CO -0.18 0.30 0.61 -0.03 -0.69 0.00 0.00 178.15 178.16 3ag3 h MET 17 N 0.47 1.03 -0.48 2.37 4.05 -1.64 -0.48 114.93 120.25 3ag3 h MET 17 Ca 0.11 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 3ag3 h MET 17 Cb 0.39 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 3ag3 h MET 17 CO 0.01 0.68 0.10 1.49 0.23 0.00 0.00 176.91 179.42 3ag3 h GLU 18 N 1.06 0.74 -0.53 0.39 4.81 -1.11 -0.56 114.58 119.38 3ag3 h GLU 18 Ca 0.43 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3ag3 h GLU 18 Cb 0.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3ag3 h GLU 18 CO -0.20 0.69 -0.01 0.93 -0.73 0.00 0.00 179.01 179.69 3ag3 h GLU 19 N 0.71 0.91 -0.67 1.92 4.39 -0.32 -2.19 114.58 119.34 3ag3 h GLU 19 Ca 0.16 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3ag3 h GLU 19 Cb 0.30 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3ag3 h GLU 19 CO 0.00 0.91 0.21 -0.07 -1.16 0.00 0.00 179.01 178.90 3ag3 h LEU 20 N 0.84 0.95 -0.26 1.33 3.38 -0.38 -1.22 115.31 119.95 3ag3 h LEU 20 Ca 0.16 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ag3 h LEU 20 Cb 0.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3ag3 h LEU 20 CO 0.03 0.89 0.04 -0.07 0.09 0.00 0.00 178.44 179.42 3ag3 h LEU 21 N 0.98 -0.01 -0.89 1.67 3.38 -0.73 0.29 115.31 120.00 3ag3 h LEU 21 Ca 0.22 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3ag3 h LEU 21 Cb 0.28 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ag3 h LEU 21 CO -0.01 0.03 -0.44 0.45 0.09 0.00 0.00 178.44 178.56 3ag3 h HIS 22 N 0.13 0.30 -0.41 1.13 3.86 -1.18 -0.73 115.15 118.25 3ag3 h HIS 22 Ca 0.12 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 3ag3 h HIS 22 Cb 0.13 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3ag3 h HIS 22 CO -0.17 0.65 -0.06 0.35 0.86 0.00 0.00 177.93 179.57 3ag3 h PHE 23 N 0.21 0.84 -0.36 2.45 3.04 -0.98 -2.25 116.94 119.89 3ag3 h PHE 23 Ca 0.02 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 3ag3 h PHE 23 Cb 0.86 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 3ag3 h PHE 23 CO 0.02 0.86 0.16 1.25 -2.02 0.00 0.00 178.31 178.58 3ag3 h HIS 24 N 0.58 0.53 -0.81 0.41 2.76 -0.18 0.32 115.15 118.75 3ag3 h HIS 24 Ca 0.11 -0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.37 3ag3 h HIS 24 Cb 0.56 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 3ag3 h HIS 24 CO 0.04 0.46 0.42 -0.44 -1.30 0.00 0.00 177.93 177.12 3ag3 h ASP 25 N 0.44 0.54 0.12 3.26 3.32 -1.03 0.30 116.42 123.37 3ag3 h ASP 25 Ca 0.12 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3ag3 h ASP 25 Cb 0.14 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3ag3 h ASP 25 CO -0.01 0.26 -0.06 -0.74 -1.72 0.00 0.00 179.24 176.97 3ag3 h HIS 26 N 0.65 -0.15 -0.67 4.55 -0.00 -0.95 -1.92 115.15 116.66 3ag3 h HIS 26 Ca 0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 3ag3 h HIS 26 Cb 0.52 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 3ag3 h HIS 26 CO -0.09 0.16 0.43 1.15 -0.00 0.00 0.00 177.93 179.58 3ag3 h THR 27 N -0.45 1.18 -0.85 6.26 2.02 -0.61 -2.86 112.91 117.60 3ag3 h THR 27 Ca -0.02 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ag3 h THR 27 Cb 0.37 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3ag3 h THR 27 CO 0.03 0.18 0.52 0.25 0.37 0.00 0.00 175.52 176.87 3ag3 h LEU 28 N 0.92 1.01 -0.35 2.58 5.85 -0.35 0.49 115.31 125.46 3ag3 h LEU 28 Ca 0.25 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3ag3 h LEU 28 Cb -0.08 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 3ag3 h LEU 28 CO -0.05 0.77 0.05 -0.03 -0.34 0.00 0.00 178.44 178.84 3ag3 h MET 29 N 1.17 0.15 -0.45 1.25 4.05 -1.12 0.52 114.93 120.50 3ag3 h MET 29 Ca 0.31 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.67 3ag3 h MET 29 Cb -0.06 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 3ag3 h MET 29 CO -0.06 0.10 0.11 0.82 0.23 0.00 0.00 176.91 178.11 3ag3 h ILE 30 N 0.16 1.23 -0.05 1.77 2.04 -1.27 -0.29 117.51 121.10 3ag3 h ILE 30 Ca 0.17 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3ag3 h ILE 30 Cb 0.21 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3ag3 h ILE 30 CO -0.24 0.29 -0.10 0.58 0.00 0.00 0.00 178.15 178.68 3ag3 h VAL 31 N 0.60 0.73 -0.85 1.67 2.07 -0.65 -0.47 116.25 119.35 3ag3 h VAL 31 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3ag3 h VAL 31 Cb 0.32 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3ag3 h VAL 31 CO 0.00 0.00 0.42 -0.26 0.02 0.00 0.00 177.57 177.75 3ag3 h PHE 32 N -0.15 1.21 -0.32 1.57 0.05 -0.71 -0.71 116.94 117.88 3ag3 h PHE 32 Ca 0.06 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 3ag3 h PHE 32 Cb 0.22 -0.38 -0.01 0.00 2.00 0.00 0.00 35.95 37.78 3ag3 h PHE 32 CO -0.19 0.87 -0.01 -0.07 -0.18 0.00 0.00 178.31 178.73 3ag3 h LEU 33 N 1.21 0.57 -0.23 1.54 -0.00 -0.70 -0.75 115.31 116.95 3ag3 h LEU 33 Ca 0.29 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.88 57.75 3ag3 h LEU 33 Cb 0.10 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.61 3ag3 h LEU 33 CO -0.04 0.75 -0.25 0.40 -0.00 0.00 0.00 178.44 179.30 3ag3 h ILE 34 N 0.38 1.32 -0.92 1.22 2.04 -0.94 -0.25 117.51 120.36 3ag3 h ILE 34 Ca 0.09 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 3ag3 h ILE 34 Cb 0.47 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3ag3 h ILE 34 CO 0.02 0.44 0.57 0.77 0.00 0.00 0.00 178.15 179.95 3ag3 h SER 35 N 0.28 1.09 0.66 1.72 4.64 -1.12 -0.97 113.55 119.85 3ag3 h SER 35 Ca 0.03 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3ag3 h SER 35 Cb 0.81 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3ag3 h SER 35 CO 0.06 0.82 -0.64 0.77 -0.87 0.00 0.00 176.83 176.98 3ag3 h SER 36 N 1.26 0.00 -0.29 4.97 4.64 -1.02 -0.58 113.55 122.53 3ag3 h SER 36 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 3ag3 h SER 36 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3ag3 h SER 36 CO -0.07 0.64 -0.16 0.25 -0.87 0.00 0.00 176.83 176.62 3ag3 h LEU 37 N 0.00 0.64 -0.67 5.97 5.85 -0.77 0.16 115.31 126.50 3ag3 h LEU 37 Ca -0.01 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3ag3 h LEU 37 Cb 1.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3ag3 h LEU 37 CO 0.08 0.92 0.12 0.58 -0.34 0.00 0.00 178.44 179.80 3ag3 h VAL 38 N 0.37 1.26 -0.83 1.05 2.07 -1.05 0.25 116.25 119.37 3ag3 h VAL 38 Ca 0.06 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3ag3 h VAL 38 Cb 0.68 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3ag3 h VAL 38 CO 0.05 0.39 0.43 0.25 0.02 0.00 0.00 177.57 178.70 3ag3 h LEU 39 N 1.02 1.06 -0.26 2.57 5.85 -0.84 -0.34 115.31 124.37 3ag3 h LEU 39 Ca 0.20 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3ag3 h LEU 39 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3ag3 h LEU 39 CO 0.01 0.87 0.09 0.22 -0.34 0.00 0.00 178.44 179.29 3ag3 h TYR 40 N 1.17 0.41 -0.47 1.25 3.20 -0.37 -1.71 116.97 120.44 3ag3 h TYR 40 Ca 0.29 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3ag3 h TYR 40 Cb 0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3ag3 h TYR 40 CO 0.01 0.44 -0.04 0.82 -1.64 0.00 0.00 178.16 177.75 3ag3 h ILE 41 N 0.25 1.25 -0.19 1.81 2.04 -0.30 0.33 117.51 122.70 3ag3 h ILE 41 Ca 0.08 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.92 3ag3 h ILE 41 Cb 0.22 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3ag3 h ILE 41 CO -0.00 0.37 -0.12 0.40 0.00 0.00 0.00 178.15 178.79 3ag3 h ILE 42 N 0.74 0.63 -0.30 -0.67 2.04 -0.77 0.56 117.51 119.74 3ag3 h ILE 42 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3ag3 h ILE 42 Cb 0.51 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3ag3 h ILE 42 CO 0.03 0.00 0.14 0.77 0.00 0.00 0.00 178.15 179.09 3ag3 h SER 43 N -0.12 0.37 -0.53 1.72 4.64 -0.18 -2.66 113.55 116.80 3ag3 h SER 43 Ca 0.11 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3ag3 h SER 43 Cb 0.29 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3ag3 h SER 43 CO -0.27 0.32 0.01 0.25 -0.87 0.00 0.00 176.83 176.27 3ag3 h LEU 44 N 0.42 0.94 -1.07 5.97 5.85 0.13 -2.60 115.31 124.95 3ag3 h LEU 44 Ca 0.11 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3ag3 h LEU 44 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3ag3 h LEU 44 CO -0.01 0.99 -0.38 0.24 -0.34 0.00 0.00 178.44 178.94 3ag3 h MET 45 N 0.89 0.00 -0.11 1.25 2.86 -0.64 -3.13 114.93 116.05 3ag3 h MET 45 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3ag3 h MET 45 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3ag3 h MET 45 CO 0.03 0.38 0.00 1.28 1.06 0.00 0.00 176.91 179.65 3ag3 n LEU 46 N -3.67 2.94 -1.89 1.22 4.77 -1.00 -4.52 117.00 114.85 3ag3 n LEU 46 Ca -0.01 -1.05 -0.21 0.00 -0.03 0.00 0.00 56.01 54.71 3ag3 n LEU 46 Cb 0.48 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3ag3 n LEU 46 CO 0.37 0.53 0.19 0.35 -1.33 0.00 0.00 177.39 177.50 3ag3 n THR 47 N 1.26 2.48 -3.87 -5.08 -2.24 -1.11 -4.99 114.28 100.73 3ag3 n THR 47 Ca 0.16 -4.10 -0.12 0.00 -2.27 0.00 0.00 64.05 57.72 3ag3 n THR 47 Cb 0.58 -1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 67.66 3ag3 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag3 s THR 48 N -4.45 0.02 -1.37 4.28 -1.32 -1.26 -5.00 115.64 106.54 3ag3 s THR 48 Ca 0.49 -0.14 0.29 0.00 -1.21 0.00 0.00 61.69 61.13 3ag3 s THR 48 Cb 0.40 -0.12 0.43 0.00 -1.51 0.00 0.00 72.50 71.70 3ag3 s THR 48 CO 0.03 -0.08 1.96 0.29 -2.21 0.00 0.00 174.62 174.61 3ag3 n LYS 49 N 2.80 0.38 -2.06 7.08 4.76 -1.26 -4.91 118.16 124.95 3ag3 n LYS 49 Ca -0.14 -0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 54.87 3ag3 n LYS 49 Cb 0.59 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.29 3ag3 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag3 s LEU 50 N -2.66 4.02 0.08 -0.35 1.43 -1.26 -5.04 118.68 114.90 3ag3 s LEU 50 Ca 0.25 2.54 0.04 0.00 -1.03 0.00 0.00 54.13 55.92 3ag3 s LEU 50 Cb 0.20 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3ag3 s LEU 50 CO 0.49 -1.10 -0.10 0.42 0.23 0.00 0.00 176.35 176.29 3ag3 s THR 51 N -1.39 0.87 -0.26 5.49 -4.23 -1.26 -5.11 115.64 109.74 3ag3 s THR 51 Ca 0.64 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 3ag3 s THR 51 Cb -0.35 -1.13 0.14 0.00 1.34 0.00 0.00 72.50 72.50 3ag3 s THR 51 CO 0.42 -0.46 0.36 -2.28 -0.54 0.00 0.00 174.62 172.12 3ag3 s HIS 52 N -2.00 -0.78 0.00 3.99 5.04 -1.26 -5.05 115.29 115.23 3ag3 s HIS 52 Ca 0.00 0.47 0.00 0.00 -1.54 0.00 0.00 55.06 53.99 3ag3 s HIS 52 Cb -0.06 -0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.42 3ag3 s HIS 52 CO 0.00 -0.82 0.45 0.25 -2.34 0.00 0.00 174.74 172.28 3ag3 n THR 53 N 5.35 0.00 -1.55 0.89 -2.24 -1.26 -5.01 114.28 110.46 3ag3 n THR 53 Ca -0.02 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 3ag3 n THR 53 Cb 0.49 1.05 0.15 0.00 -2.10 0.00 0.00 70.33 69.92 3ag3 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag3 s SER 54 N -0.06 3.16 0.13 3.42 1.04 -1.26 -4.95 113.70 115.18 3ag3 s SER 54 Ca 0.00 0.82 -0.33 0.00 0.48 0.00 0.00 55.95 56.92 3ag3 s SER 54 Cb 0.00 -1.27 -0.12 0.00 0.10 0.00 0.00 66.02 64.72 3ag3 s SER 54 CO 0.00 -2.75 1.72 0.41 0.98 0.00 0.00 173.24 173.60 3ag3 n THR 55 N -3.88 0.18 -4.09 2.02 -1.04 -1.26 -5.00 114.28 101.21 3ag3 n THR 55 Ca 0.09 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.71 3ag3 n THR 55 Cb 0.59 -1.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 3ag3 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag3 s MET 56 N 1.87 3.44 -0.00 -2.82 1.00 -1.26 -5.09 119.30 116.44 3ag3 s MET 56 Ca 0.81 -0.29 -0.30 0.00 0.00 0.00 0.00 55.69 55.90 3ag3 s MET 56 Cb -0.59 -3.06 -0.05 0.00 0.00 0.00 0.00 34.83 31.14 3ag3 s MET 56 CO 0.38 0.60 1.24 0.34 0.00 0.00 0.00 175.02 177.58 3ag3 s ASP 57 N -0.57 7.02 -0.01 3.03 2.15 -1.26 -4.97 116.67 122.07 3ag3 s ASP 57 Ca 0.11 1.94 0.18 0.00 0.43 0.00 0.00 52.55 55.22 3ag3 s ASP 57 Cb -0.12 -2.57 -0.22 0.00 -0.30 0.00 0.00 42.92 39.71 3ag3 s ASP 57 CO 0.02 -0.57 0.69 0.00 -0.17 0.00 0.00 175.17 175.14 3ag3 n ALA 58 N 4.76 3.98 -3.05 3.66 0.00 -1.26 -4.79 120.51 123.81 3ag3 n ALA 58 Ca 0.11 -0.50 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 3ag3 n ALA 58 Cb 0.46 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3ag3 n ALA 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ag3 s GLN 59 N -2.88 3.71 0.00 0.00 2.00 -1.26 -1.48 119.66 119.76 3ag3 s GLN 59 Ca 0.04 -2.14 0.00 0.00 -2.00 0.00 0.00 55.36 51.26 3ag3 s GLN 59 Cb 0.13 -4.80 0.00 0.00 0.80 0.00 0.00 33.01 29.14 3ag3 s GLN 59 CO 0.76 -1.63 0.00 -0.85 -0.50 0.00 0.00 175.29 173.08 3ag3 n GLU 60 N 5.58 0.00 -0.16 1.67 -0.00 -1.26 -4.86 120.64 121.60 3ag3 n GLU 60 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.35 3ag3 n GLU 60 Cb 0.47 0.00 0.14 0.00 -0.00 0.00 0.00 31.44 32.05 3ag3 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag3 h VAL 61 N 0.00 1.24 0.00 3.84 3.04 -1.85 -2.65 116.25 119.88 3ag3 h VAL 61 Ca 0.00 -0.93 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 3ag3 h VAL 61 Cb 0.00 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 29.96 3ag3 h VAL 61 CO 0.00 0.34 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.44 3ag3 h GLU 62 N 0.87 0.00 -0.63 4.17 5.08 -1.59 -2.00 114.58 120.48 3ag3 h GLU 62 Ca 0.18 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3ag3 h GLU 62 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ag3 h GLU 62 CO 0.01 0.13 0.04 1.15 -1.00 0.00 0.00 179.01 179.33 3ag3 h THR 63 N 0.00 1.26 -0.61 1.13 2.02 -1.75 -2.42 112.91 112.55 3ag3 h THR 63 Ca -0.00 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 3ag3 h THR 63 Cb 0.36 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3ag3 h THR 63 CO 0.02 0.41 0.25 0.40 0.37 0.00 0.00 175.52 176.97 3ag3 h ILE 64 N 1.00 1.23 -0.05 3.11 2.04 -1.33 -0.79 117.51 122.72 3ag3 h ILE 64 Ca 0.18 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3ag3 h ILE 64 Cb 0.51 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ag3 h ILE 64 CO 0.02 0.27 0.00 -2.67 0.00 0.00 0.00 178.15 175.78 3ag3 n TRP 65 N -4.47 0.06 -0.09 1.37 2.14 -0.88 -1.34 117.44 114.23 3ag3 n TRP 65 Ca 0.04 -0.03 -0.17 0.00 2.07 0.00 0.00 57.50 59.40 3ag3 n TRP 65 Cb 0.16 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.59 3ag3 n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3ag3 n THR 66 N -0.33 0.96 -0.14 -1.67 -1.04 -0.92 -4.49 114.28 106.65 3ag3 n THR 66 Ca 0.18 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 3ag3 n THR 66 Cb 0.21 -1.60 -0.01 0.00 -1.82 0.00 0.00 70.33 67.10 3ag3 n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ag3 h ILE 67 N -0.50 1.27 -0.02 12.58 1.08 -1.12 -1.98 117.51 128.82 3ag3 h ILE 67 Ca -0.43 -1.45 -0.01 0.00 -0.39 0.00 0.00 64.86 62.59 3ag3 h ILE 67 Cb 1.43 1.27 -0.00 0.00 -3.07 0.00 0.00 36.82 36.45 3ag3 h ILE 67 CO -0.23 0.49 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.64 3ag3 h LEU 68 N 0.77 0.04 -0.71 1.44 4.07 -1.42 -1.10 115.31 118.39 3ag3 h LEU 68 Ca 0.09 -0.42 0.10 0.00 0.08 0.00 0.00 57.88 57.73 3ag3 h LEU 68 Cb 0.86 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.52 3ag3 h LEU 68 CO 0.08 0.46 0.34 -0.65 -1.08 0.00 0.00 178.44 177.58 3ag3 h PRO 69 N -0.37 0.54 -0.41 1.13 0.11 -1.75 -1.46 132.00 129.80 3ag3 h PRO 69 Ca 0.00 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.15 3ag3 h PRO 69 Cb 0.44 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.37 3ag3 h PRO 69 CO 0.00 0.36 0.06 0.00 -0.21 0.00 0.00 178.00 178.21 3ag3 h ALA 70 N 1.45 0.43 -0.88 -0.75 0.00 -1.18 -0.13 119.26 118.21 3ag3 h ALA 70 Ca 0.36 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3ag3 h ALA 70 Cb 0.42 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3ag3 h ALA 70 CO -0.30 -0.34 0.58 0.82 0.00 0.00 0.00 179.25 180.01 3ag3 h ILE 71 N 0.18 1.21 -0.02 0.00 2.04 -0.62 -2.06 117.51 118.24 3ag3 h ILE 71 Ca 0.20 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3ag3 h ILE 71 Cb 0.25 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3ag3 h ILE 71 CO -0.28 0.21 0.01 0.40 0.00 0.00 0.00 178.15 178.50 3ag3 h ILE 72 N 1.17 1.04 -0.88 -0.67 2.04 -0.78 0.12 117.51 119.55 3ag3 h ILE 72 Ca 0.33 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 66.15 3ag3 h ILE 72 Cb -0.11 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 3ag3 h ILE 72 CO -0.08 0.04 0.53 -0.07 0.00 0.00 0.00 178.15 178.57 3ag3 h LEU 73 N -0.02 0.80 -1.08 1.44 3.38 -0.87 -0.60 115.31 118.37 3ag3 h LEU 73 Ca 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3ag3 h LEU 73 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ag3 h LEU 73 CO -0.00 0.47 0.12 0.40 0.09 0.00 0.00 178.44 179.52 3ag3 h ILE 74 N 0.91 1.22 0.00 1.22 2.04 -0.73 0.31 117.51 122.48 3ag3 h ILE 74 Ca 0.41 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3ag3 h ILE 74 Cb 0.31 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3ag3 h ILE 74 CO -0.22 0.29 0.00 -0.07 0.00 0.00 0.00 178.15 178.15 3ag3 h LEU 75 N 0.75 0.00 0.00 1.44 -0.00 0.69 -0.56 115.31 117.64 3ag3 h LEU 75 Ca 0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.87 3ag3 h LEU 75 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 3ag3 h LEU 75 CO -0.00 0.00 -1.01 0.40 -0.00 0.00 0.00 178.44 177.82 3ag3 h ILE 76 N 0.00 0.93 -0.82 1.22 2.04 -0.57 -3.40 117.51 116.91 3ag3 h ILE 76 Ca 0.00 -2.08 0.10 0.00 1.00 0.00 0.00 64.86 63.88 3ag3 h ILE 76 Cb 0.59 2.14 -0.08 0.00 -0.74 0.00 0.00 36.82 38.73 3ag3 h ILE 76 CO 0.00 0.32 0.45 0.00 0.00 0.00 0.00 178.15 178.92 3ag3 h ALA 77 N -0.48 1.17 0.11 1.87 0.00 -0.25 -2.31 119.26 119.37 3ag3 h ALA 77 Ca -0.27 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ag3 h ALA 77 Cb 1.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3ag3 h ALA 77 CO -0.16 0.06 -0.42 -0.07 0.00 0.00 0.00 179.25 178.65 3ag3 h LEU 78 N 0.75 -1.26 -1.32 0.00 4.07 -1.31 0.41 115.31 116.64 3ag3 h LEU 78 Ca 0.40 0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.43 3ag3 h LEU 78 Cb 0.40 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3ag3 h LEU 78 CO -0.26 -0.45 -0.21 1.55 -1.08 0.00 0.00 178.44 177.99 3ag3 h PRO 79 N -0.61 0.20 0.13 1.13 0.13 -1.78 -2.02 132.00 129.18 3ag3 h PRO 79 Ca -0.01 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3ag3 h PRO 79 Cb 0.61 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3ag3 h PRO 79 CO -0.22 0.40 -0.06 1.03 -0.23 0.00 0.00 178.00 178.92 3ag3 h SER 80 N 0.18 -0.15 1.08 1.44 0.87 -0.99 -2.38 113.55 113.60 3ag3 h SER 80 Ca 0.03 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.36 3ag3 h SER 80 Cb 0.48 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3ag3 h SER 80 CO 0.03 0.03 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.72 3ag3 h LEU 81 N -0.32 0.00 -0.67 2.23 3.38 -0.88 -1.99 115.31 117.06 3ag3 h LEU 81 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ag3 h LEU 81 Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3ag3 h LEU 81 CO 0.03 0.57 0.40 -0.09 0.09 0.00 0.00 178.44 179.44 3ag3 h ARG 82 N 0.00 0.74 -0.46 1.13 2.43 -1.26 -0.57 114.38 116.40 3ag3 h ARG 82 Ca -0.01 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3ag3 h ARG 82 Cb 1.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3ag3 h ARG 82 CO 0.07 0.49 0.04 0.82 -1.51 0.00 0.00 179.97 179.89 3ag3 h ILE 83 N 0.76 1.25 -0.38 1.20 2.04 -1.09 -0.59 117.51 120.71 3ag3 h ILE 83 Ca 0.28 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.24 3ag3 h ILE 83 Cb 0.09 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 3ag3 h ILE 83 CO -0.13 0.34 0.03 0.25 0.00 0.00 0.00 178.15 178.63 3ag3 h LEU 84 N 0.64 -0.09 -0.00 1.44 5.85 -0.91 0.15 115.31 122.38 3ag3 h LEU 84 Ca 0.14 0.08 -0.27 0.00 0.84 0.00 0.00 57.88 58.67 3ag3 h LEU 84 Cb 0.44 0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.61 3ag3 h LEU 84 CO 0.02 -0.01 -1.07 1.88 -0.34 0.00 0.00 178.44 178.91 3ag3 h TYR 85 N 0.14 0.96 -0.51 1.25 -1.99 -0.91 -2.55 116.97 113.36 3ag3 h TYR 85 Ca 0.19 -0.54 0.10 0.00 2.00 0.00 0.00 58.73 60.47 3ag3 h TYR 85 Cb 0.25 -0.10 -0.10 0.00 2.00 0.00 0.00 36.73 38.77 3ag3 h TYR 85 CO -0.23 1.38 -0.32 1.98 -0.00 0.00 0.00 178.16 180.96 3ag3 h MET 86 N 0.34 -0.18 -1.00 4.88 4.05 -0.99 -1.81 114.93 120.21 3ag3 h MET 86 Ca -0.13 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.43 3ag3 h MET 86 Cb 1.73 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 32.48 3ag3 h MET 86 CO 0.21 -0.12 0.63 0.52 0.23 0.00 0.00 176.91 178.37 3ag3 h MET 87 N -0.19 0.93 0.00 0.39 2.86 -0.82 -1.86 114.93 116.24 3ag3 h MET 87 Ca 0.21 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3ag3 h MET 87 Cb 0.54 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3ag3 h MET 87 CO -0.62 0.62 0.00 0.22 1.06 0.00 0.00 176.91 178.19 3ag3 h ASP 88 N 0.96 0.00 -3.64 1.22 1.82 -1.00 -3.47 116.42 112.30 3ag3 h ASP 88 Ca 0.51 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.60 3ag3 h ASP 88 Cb 0.55 0.00 0.11 0.00 0.68 0.00 0.00 39.33 40.67 3ag3 h ASP 88 CO -0.28 0.00 0.68 -0.62 -1.61 0.00 0.00 179.24 177.41 3ag3 n GLU 89 N -2.46 2.47 -1.66 0.28 1.02 -0.70 -4.86 120.64 114.74 3ag3 n GLU 89 Ca 0.04 0.87 -0.56 0.00 -0.02 0.00 0.00 57.16 57.49 3ag3 n GLU 89 Cb 0.41 -2.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.21 3ag3 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ag3 n ILE 90 N 0.52 0.31 -0.11 -3.67 5.41 -1.26 -4.91 119.36 115.64 3ag3 n ILE 90 Ca 0.03 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.56 3ag3 n ILE 90 Cb 0.38 -1.32 -0.14 0.00 -0.71 0.00 0.00 39.64 37.85 3ag3 n ILE 90 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ag3 n ASN 91 N 6.23 0.84 -3.37 4.38 3.02 -1.26 -5.07 115.26 120.03 3ag3 n ASN 91 Ca 0.29 -0.06 -0.23 0.00 -0.03 0.00 0.00 54.58 54.56 3ag3 n ASN 91 Cb 0.15 0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.74 3ag3 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ag3 n ASN 92 N -2.96 -6.22 -4.76 6.41 3.02 -1.26 -5.01 115.26 104.48 3ag3 n ASN 92 Ca -0.38 -0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 53.63 3ag3 n ASN 92 Cb 1.09 -3.03 0.05 0.00 -0.61 0.00 0.00 39.78 37.28 3ag3 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag3 s PRO 93 N -3.20 2.72 0.00 3.52 0.04 -1.26 -4.85 135.00 131.96 3ag3 s PRO 93 Ca 0.20 1.49 0.24 0.00 0.04 0.00 0.00 61.00 62.96 3ag3 s PRO 93 Cb -0.03 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.73 3ag3 s PRO 93 CO 0.84 -1.33 1.21 -1.13 0.04 0.00 0.00 177.00 176.63 3ag3 n SER 94 N -2.37 2.34 -3.72 6.66 3.41 -0.59 -4.94 113.62 114.41 3ag3 n SER 94 Ca 0.11 -1.68 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 3ag3 n SER 94 Cb 0.52 0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 3ag3 n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ag3 s LEU 95 N -2.27 0.26 -0.09 1.04 2.96 -1.26 -5.07 118.68 114.24 3ag3 s LEU 95 Ca 0.23 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 3ag3 s LEU 95 Cb 0.19 1.51 -0.01 0.00 0.50 0.00 0.00 46.19 48.38 3ag3 s LEU 95 CO 0.45 -0.16 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.24 3ag3 s THR 96 N 0.36 2.49 -0.02 3.68 2.01 -1.26 -0.16 115.64 122.75 3ag3 s THR 96 Ca -0.01 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.17 3ag3 s THR 96 Cb -0.04 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3ag3 s THR 96 CO -0.01 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 3ag3 s VAL 97 N 0.10 1.64 0.10 3.82 1.01 0.09 -4.43 120.40 122.73 3ag3 s VAL 97 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3ag3 s VAL 97 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3ag3 s VAL 97 CO 0.06 0.46 0.08 -0.54 0.00 0.00 0.00 175.10 175.16 3ag3 s LYS 98 N -0.49 2.86 -0.01 2.72 1.02 -0.26 -1.19 119.74 124.38 3ag3 s LYS 98 Ca 0.08 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.38 3ag3 s LYS 98 Cb -0.08 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3ag3 s LYS 98 CO -0.01 0.55 -0.14 -0.08 -0.92 0.00 0.00 175.35 174.75 3ag3 s THR 99 N -1.45 1.09 -0.13 2.17 -1.32 -0.10 -0.78 115.64 115.12 3ag3 s THR 99 Ca 0.29 -0.59 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 3ag3 s THR 99 Cb -0.12 -0.91 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3ag3 s THR 99 CO 0.22 0.31 -0.18 -0.04 -2.21 0.00 0.00 174.62 172.72 3ag3 s MET 100 N -0.33 3.19 0.43 7.08 -1.94 0.14 -1.51 119.30 126.36 3ag3 s MET 100 Ca 0.05 -0.78 -0.22 0.00 -1.71 0.00 0.00 55.69 53.03 3ag3 s MET 100 Cb -0.05 -2.50 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 3ag3 s MET 100 CO -0.01 0.12 1.01 0.20 -0.01 0.00 0.00 175.02 176.34 3ag3 s GLY 101 N 0.53 2.58 0.08 -0.03 0.00 0.11 -1.31 107.32 109.27 3ag3 s GLY 101 Ca -0.12 0.58 -0.05 0.00 0.00 0.00 0.00 44.72 45.14 3ag3 s GLY 101 CO 0.04 0.94 0.11 0.30 0.00 0.00 0.00 173.10 174.49 3ag3 s HIS 102 N -1.90 0.37 -0.42 1.90 3.76 -0.32 -1.11 115.29 117.57 3ag3 s HIS 102 Ca 0.62 -0.83 -0.25 0.00 -0.15 0.00 0.00 55.06 54.45 3ag3 s HIS 102 Cb -0.17 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.33 3ag3 s HIS 102 CO 0.21 -0.50 0.87 -0.65 -0.85 0.00 0.00 174.74 173.82 3ag3 s GLN 103 N -3.91 3.63 -0.44 1.40 -0.21 -1.26 -1.85 119.66 117.03 3ag3 s GLN 103 Ca 0.08 0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.73 3ag3 s GLN 103 Cb 0.06 -3.88 0.15 0.00 1.00 0.00 0.00 33.01 30.34 3ag3 s GLN 103 CO -0.09 -1.07 0.28 -1.58 -2.12 0.00 0.00 175.29 170.72 3ag3 s TRP 104 N 3.48 1.59 0.00 0.91 0.51 -1.26 -5.14 118.94 119.04 3ag3 s TRP 104 Ca 0.35 -2.28 -0.30 0.00 -2.12 0.00 0.00 56.10 51.75 3ag3 s TRP 104 Cb -0.11 -1.48 0.11 0.00 -0.81 0.00 0.00 33.47 31.18 3ag3 s TRP 104 CO 0.22 -0.78 1.17 1.52 -0.51 0.00 0.00 176.95 178.57 3ag3 s TYR 105 N 0.28 -0.09 0.11 -1.98 1.13 -0.77 -4.70 117.35 111.32 3ag3 s TYR 105 Ca 0.22 -0.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.90 3ag3 s TYR 105 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 3ag3 s TYR 105 CO -0.06 -0.41 -0.11 -1.58 -2.51 0.00 0.00 175.55 170.88 3ag3 s TRP 106 N -2.67 2.73 0.21 -3.49 0.52 -1.03 -1.17 118.94 114.03 3ag3 s TRP 106 Ca 0.12 -0.16 0.11 0.00 0.02 0.00 0.00 56.10 56.19 3ag3 s TRP 106 Cb 0.02 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.87 3ag3 s TRP 106 CO -0.03 0.43 -0.23 -1.54 0.02 0.00 0.00 176.95 175.60 3ag3 s SER 107 N -2.21 3.41 0.11 2.95 1.04 -0.43 0.90 113.70 119.47 3ag3 s SER 107 Ca 0.21 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.80 3ag3 s SER 107 Cb -0.11 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 3ag3 s SER 107 CO 0.14 0.09 -0.16 -0.31 0.98 0.00 0.00 173.24 173.98 3ag3 s TYR 108 N -1.88 1.45 -0.03 5.02 2.02 -0.43 -0.69 117.35 122.82 3ag3 s TYR 108 Ca 0.22 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3ag3 s TYR 108 Cb -0.07 -0.78 0.03 0.00 -0.40 0.00 0.00 41.96 40.74 3ag3 s TYR 108 CO 0.11 0.14 0.04 -1.21 -1.57 0.00 0.00 175.55 173.06 3ag3 s GLU 109 N -2.26 0.03 -0.43 -0.62 2.02 0.04 -1.65 118.70 115.82 3ag3 s GLU 109 Ca 0.06 0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.31 3ag3 s GLU 109 Cb -0.07 -0.43 0.12 0.00 0.10 0.00 0.00 34.13 33.84 3ag3 s GLU 109 CO 0.03 -0.24 0.18 0.71 0.02 0.00 0.00 175.26 175.97 3ag3 s TYR 110 N 1.57 3.56 -0.13 1.61 4.12 0.84 -1.11 117.35 127.81 3ag3 s TYR 110 Ca -0.03 -2.85 0.15 0.00 0.02 0.00 0.00 57.07 54.37 3ag3 s TYR 110 Cb -0.13 -3.02 0.31 0.00 -1.52 0.00 0.00 41.96 37.60 3ag3 s TYR 110 CO -0.03 -0.90 1.16 0.25 0.02 0.00 0.00 175.55 176.05 3ag3 n THR 111 N 4.01 1.64 0.07 -0.71 -2.24 -1.25 -1.85 114.28 113.95 3ag3 n THR 111 Ca 0.03 -2.25 -0.01 0.00 -2.27 0.00 0.00 64.05 59.55 3ag3 n THR 111 Cb 0.39 -0.06 0.26 0.00 -2.10 0.00 0.00 70.33 68.82 3ag3 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag3 h ASP 112 N 0.42 0.33 0.00 3.42 3.32 -1.93 -3.43 116.42 118.55 3ag3 h ASP 112 Ca -0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3ag3 h ASP 112 Cb 1.12 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3ag3 h ASP 112 CO 0.01 0.61 0.00 -1.22 -1.72 0.00 0.00 179.24 176.92 3ag3 n TYR 113 N -4.12 -0.88 -2.31 4.55 4.01 -1.26 -5.11 117.16 112.04 3ag3 n TYR 113 Ca -0.01 0.16 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 3ag3 n TYR 113 Cb 0.40 0.44 0.06 0.00 -0.31 0.00 0.00 39.34 39.93 3ag3 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag3 s GLU 114 N -1.40 2.34 -1.08 -0.72 0.41 -1.26 -5.01 118.70 111.98 3ag3 s GLU 114 Ca 0.00 -0.32 -0.04 0.00 -0.41 0.00 0.00 54.97 54.20 3ag3 s GLU 114 Cb 0.00 -2.24 0.31 0.00 -1.78 0.00 0.00 34.13 30.42 3ag3 s GLU 114 CO 0.00 -1.08 1.54 -0.25 -0.49 0.00 0.00 175.26 174.98 3ag3 n ASP 115 N -2.78 6.52 -4.71 -0.19 10.43 -1.26 -3.96 116.55 120.61 3ag3 n ASP 115 Ca 0.08 -3.44 -0.40 0.00 2.57 0.00 0.00 54.79 53.60 3ag3 n ASP 115 Cb 0.60 -1.26 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 3ag3 n ASP 115 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ag3 s LEU 116 N -2.92 4.30 0.08 0.64 2.96 -0.77 -4.96 118.68 118.01 3ag3 s LEU 116 Ca 0.32 1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 55.23 3ag3 s LEU 116 Cb 0.07 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.75 3ag3 s LEU 116 CO 0.08 -0.11 0.30 -0.94 -1.32 0.00 0.00 176.35 174.35 3ag3 s SER 117 N 0.80 -0.08 0.24 3.68 1.04 -1.26 -0.11 113.70 118.01 3ag3 s SER 117 Ca 0.36 -0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.18 3ag3 s SER 117 Cb -0.17 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3ag3 s SER 117 CO 0.17 -0.73 0.76 0.72 0.98 0.00 0.00 173.24 175.14 3ag3 s PHE 118 N -3.37 -0.21 0.10 5.02 -0.12 -0.66 -4.98 117.98 113.76 3ag3 s PHE 118 Ca 0.01 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 3ag3 s PHE 118 Cb 0.02 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 3ag3 s PHE 118 CO -0.09 -1.11 0.26 -0.51 -0.05 0.00 0.00 175.22 173.72 3ag3 s ASP 119 N -2.90 6.37 -0.22 1.98 1.01 -1.26 -1.31 116.67 120.33 3ag3 s ASP 119 Ca 0.10 0.28 -0.01 0.00 0.71 0.00 0.00 52.55 53.63 3ag3 s ASP 119 Cb -0.05 -1.96 0.06 0.00 1.01 0.00 0.00 42.92 41.99 3ag3 s ASP 119 CO 0.04 0.11 0.01 -0.55 0.21 0.00 0.00 175.17 174.99 3ag3 s SER 120 N -2.77 3.35 -0.04 0.27 0.15 0.26 -4.51 113.70 110.41 3ag3 s SER 120 Ca 0.36 -1.04 0.01 0.00 0.70 0.00 0.00 55.95 55.98 3ag3 s SER 120 Cb -0.12 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.34 3ag3 s SER 120 CO 0.28 -0.30 -0.04 -0.31 1.20 0.00 0.00 173.24 174.08 3ag3 s TYR 121 N 1.68 3.01 0.24 3.44 2.02 -1.26 -2.46 117.35 124.01 3ag3 s TYR 121 Ca -0.01 0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.45 3ag3 s TYR 121 Cb -0.18 -1.69 -0.15 0.00 -0.40 0.00 0.00 41.96 39.54 3ag3 s TYR 121 CO -0.09 0.40 0.95 -0.12 -1.57 0.00 0.00 175.55 175.12 3ag3 n MET 122 N 1.85 1.00 -2.50 -0.62 0.00 -1.26 -1.28 117.12 114.30 3ag3 n MET 122 Ca -0.17 0.35 -0.43 0.00 -0.00 0.00 0.00 57.70 57.46 3ag3 n MET 122 Cb 0.53 -1.68 -0.02 0.00 0.00 0.00 0.00 33.22 32.05 3ag3 n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ag3 s ILE 123 N -0.80 4.31 0.71 1.12 -1.09 0.26 -4.79 121.20 120.92 3ag3 s ILE 123 Ca 0.64 1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 60.41 3ag3 s ILE 123 Cb -0.80 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 35.87 3ag3 s ILE 123 CO 0.57 -0.40 1.01 -2.65 -1.23 0.00 0.00 174.94 172.25 3ag3 n PRO 124 N 6.99 0.58 -0.06 2.79 -0.02 -1.26 -4.62 135.00 139.41 3ag3 n PRO 124 Ca 0.14 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 3ag3 n PRO 124 Cb 0.46 -2.26 0.36 0.00 -0.02 0.00 0.00 33.50 32.04 3ag3 n PRO 124 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ag3 h THR 125 N -0.16 1.14 0.00 3.45 2.02 -1.98 0.86 112.91 118.24 3ag3 h THR 125 Ca -0.48 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3ag3 h THR 125 Cb 1.33 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3ag3 h THR 125 CO 0.48 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.97 3ag3 n SER 126 N -4.44 0.41 -0.24 4.18 3.41 -1.26 -2.37 113.62 113.31 3ag3 n SER 126 Ca 0.04 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.29 3ag3 n SER 126 Cb 0.07 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.36 3ag3 n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag3 n GLU 127 N -1.95 0.72 -1.73 4.33 1.02 0.26 -5.00 120.64 118.29 3ag3 n GLU 127 Ca 0.03 -0.78 -0.42 0.00 -0.02 0.00 0.00 57.16 55.96 3ag3 n GLU 127 Cb 0.21 -1.08 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 3ag3 n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ag3 n LEU 128 N 0.17 4.16 -4.77 -4.62 4.77 -0.99 -4.96 117.00 110.76 3ag3 n LEU 128 Ca 0.04 1.11 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 3ag3 n LEU 128 Cb 0.16 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 3ag3 n LEU 128 CO 0.06 0.13 0.83 -0.54 -1.33 0.00 0.00 177.39 176.54 3ag3 s LYS 129 N 0.13 3.54 0.22 3.23 1.02 -1.26 -4.93 119.74 121.68 3ag3 s LYS 129 Ca 0.68 1.78 -0.32 0.00 0.02 0.00 0.00 55.97 58.14 3ag3 s LYS 129 Cb -0.51 -2.25 -0.14 0.00 -0.52 0.00 0.00 37.83 34.41 3ag3 s LYS 129 CO 0.42 -0.74 1.31 -2.30 -0.92 0.00 0.00 175.35 173.13 3ag3 n PRO 130 N -0.83 1.73 -0.11 -1.68 -0.02 -1.26 -1.13 135.00 131.69 3ag3 n PRO 130 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3ag3 n PRO 130 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3ag3 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag3 n GLY 131 N 2.06 1.75 3.90 -1.23 0.00 -1.26 -5.05 105.19 105.37 3ag3 n GLY 131 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3ag3 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag3 s GLU 132 N -0.35 2.27 -0.21 1.61 2.02 -0.29 -5.03 118.70 118.73 3ag3 s GLU 132 Ca 0.00 0.15 -0.09 0.00 0.02 0.00 0.00 54.97 55.05 3ag3 s GLU 132 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3ag3 s GLU 132 CO 0.00 -1.36 0.10 -0.51 0.02 0.00 0.00 175.26 173.51 3ag3 s LEU 133 N -5.45 3.95 0.27 1.80 1.43 -1.26 -4.94 118.68 114.48 3ag3 s LEU 133 Ca 0.60 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 3ag3 s LEU 133 Cb -0.11 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.98 3ag3 s LEU 133 CO 0.49 0.13 1.42 -0.60 0.23 0.00 0.00 176.35 178.03 3ag3 s ARG 134 N 0.63 4.27 0.00 1.70 3.52 -1.26 -2.38 118.95 125.42 3ag3 s ARG 134 Ca 0.05 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 3ag3 s ARG 134 Cb -0.13 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3ag3 s ARG 134 CO 0.01 -0.39 0.00 1.28 -0.81 0.00 0.00 175.30 175.39 3ag3 n LEU 135 N 2.01 0.57 -0.03 -0.88 4.77 -1.26 -4.79 117.00 117.40 3ag3 n LEU 135 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3ag3 n LEU 135 Cb 0.40 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 3ag3 n LEU 135 CO 0.61 -0.33 -0.67 0.18 -1.33 0.00 0.00 177.39 175.84 3ag3 n LEU 136 N 0.00 0.36 -4.83 2.23 4.77 -1.00 -4.62 117.00 113.90 3ag3 n LEU 136 Ca 0.00 -0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 3ag3 n LEU 136 Cb 0.04 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3ag3 n LEU 136 CO 0.00 0.18 0.70 -1.61 -1.33 0.00 0.00 177.39 175.33 3ag3 s GLU 137 N -2.12 3.65 0.21 3.23 0.41 -1.20 -4.67 118.70 118.21 3ag3 s GLU 137 Ca -0.03 1.00 0.06 0.00 -0.41 0.00 0.00 54.97 55.58 3ag3 s GLU 137 Cb 0.02 -2.09 -0.05 0.00 -1.78 0.00 0.00 34.13 30.23 3ag3 s GLU 137 CO 0.20 -0.52 -0.09 0.14 -0.49 0.00 0.00 175.26 174.51 3ag3 s VAL 138 N -2.68 1.42 0.07 2.63 -7.23 -1.26 -0.57 120.40 112.77 3ag3 s VAL 138 Ca 0.60 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 3ag3 s VAL 138 Cb -0.12 -2.13 -0.18 0.00 0.56 0.00 0.00 36.38 34.52 3ag3 s VAL 138 CO 0.38 -0.53 1.26 -2.24 -0.31 0.00 0.00 175.10 173.66 3ag3 h ASP 139 N 2.55 0.81 -3.82 4.85 -0.00 -1.50 -3.42 116.42 115.89 3ag3 h ASP 139 Ca -0.38 -0.65 -0.67 0.00 -0.00 0.00 0.00 57.03 55.33 3ag3 h ASP 139 Cb 1.22 -0.24 -0.37 0.00 -0.00 0.00 0.00 39.33 39.93 3ag3 h ASP 139 CO 0.64 1.33 -0.80 0.20 -0.00 0.00 0.00 179.24 180.61 3ag3 s ASN 140 N -6.95 4.37 0.54 4.15 0.01 -1.26 -5.03 114.94 110.76 3ag3 s ASN 140 Ca -0.11 -1.36 -0.07 0.00 -0.71 0.00 0.00 52.86 50.61 3ag3 s ASN 140 Cb 0.07 -1.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.16 3ag3 s ASN 140 CO 0.88 -0.18 0.88 -0.13 -1.51 0.00 0.00 177.10 177.04 3ag3 s ARG 141 N 1.12 3.52 -0.67 -0.60 0.52 -1.26 -4.62 118.95 116.96 3ag3 s ARG 141 Ca -0.08 0.39 -0.25 0.00 -0.52 0.00 0.00 55.73 55.26 3ag3 s ARG 141 Cb -0.20 -2.26 0.05 0.00 0.52 0.00 0.00 34.95 33.06 3ag3 s ARG 141 CO -0.05 -0.37 1.11 0.08 0.02 0.00 0.00 175.30 176.09 3ag3 s VAL 142 N -2.92 4.06 0.07 3.52 1.01 -0.02 -4.87 120.40 121.25 3ag3 s VAL 142 Ca 0.51 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3ag3 s VAL 142 Cb -0.11 -4.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 3ag3 s VAL 142 CO 0.48 -1.55 0.94 -0.69 0.00 0.00 0.00 175.10 174.28 3ag3 s VAL 143 N 4.81 4.64 -0.02 2.92 1.01 -1.26 -0.06 120.40 132.45 3ag3 s VAL 143 Ca 0.31 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 64.16 3ag3 s VAL 143 Cb -0.12 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3ag3 s VAL 143 CO 0.15 0.27 0.31 -0.76 0.00 0.00 0.00 175.10 175.08 3ag3 s LEU 144 N 0.31 0.85 0.06 3.92 1.43 -0.31 -4.92 118.68 120.01 3ag3 s LEU 144 Ca 0.47 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.39 3ag3 s LEU 144 Cb -0.22 1.25 -0.06 0.00 0.03 0.00 0.00 46.19 47.19 3ag3 s LEU 144 CO 0.28 -0.42 1.23 -2.16 0.23 0.00 0.00 176.35 175.51 3ag3 s PRO 145 N -1.22 4.41 0.81 1.29 0.04 -1.26 -1.97 135.00 137.09 3ag3 s PRO 145 Ca -0.13 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 3ag3 s PRO 145 Cb -0.05 -3.35 0.08 0.00 0.04 0.00 0.00 34.50 31.21 3ag3 s PRO 145 CO 0.04 -0.30 1.09 0.00 0.04 0.00 0.00 177.00 177.87 3ag3 s MET 146 N 1.18 1.99 -1.51 4.56 0.23 0.30 -3.93 119.30 122.12 3ag3 s MET 146 Ca 0.59 0.73 0.00 0.00 -1.03 0.00 0.00 55.69 55.98 3ag3 s MET 146 Cb -0.30 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.10 3ag3 s MET 146 CO 0.29 -1.71 0.00 0.39 -2.03 0.00 0.00 175.02 171.96 3ag3 n GLU 147 N -3.50 -1.71 -4.19 3.16 1.02 0.19 -4.72 120.64 110.89 3ag3 n GLU 147 Ca 0.07 0.85 -0.18 0.00 -0.02 0.00 0.00 57.16 57.88 3ag3 n GLU 147 Cb 0.56 -5.33 -0.11 0.00 -0.02 0.00 0.00 31.44 26.54 3ag3 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag3 s MET 148 N -4.28 0.89 -0.22 3.49 -1.94 -1.25 -5.01 119.30 110.97 3ag3 s MET 148 Ca 0.00 -1.08 -0.23 0.00 -1.71 0.00 0.00 55.69 52.67 3ag3 s MET 148 Cb 0.00 -0.80 -0.01 0.00 2.01 0.00 0.00 34.83 36.03 3ag3 s MET 148 CO 0.00 0.16 0.77 0.99 -0.01 0.00 0.00 175.02 176.93 3ag3 s THR 149 N -1.74 4.89 -0.09 2.05 2.01 -1.26 -4.42 115.64 117.09 3ag3 s THR 149 Ca 0.03 1.46 0.04 0.00 0.31 0.00 0.00 61.69 63.52 3ag3 s THR 149 Cb -0.07 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3ag3 s THR 149 CO 0.02 -0.01 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.11 3ag3 s ILE 150 N 2.52 2.44 -0.22 1.82 1.01 -0.20 -1.54 121.20 127.02 3ag3 s ILE 150 Ca 0.33 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 3ag3 s ILE 150 Cb -0.16 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3ag3 s ILE 150 CO 0.09 0.56 0.53 -0.60 0.00 0.00 0.00 174.94 175.52 3ag3 s ARG 151 N 0.02 4.15 -0.15 2.79 3.52 0.78 -0.90 118.95 129.15 3ag3 s ARG 151 Ca -0.07 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.87 3ag3 s ARG 151 Cb -0.15 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3ag3 s ARG 151 CO 0.05 -0.23 0.09 -1.64 -0.81 0.00 0.00 175.30 172.77 3ag3 s MET 152 N 1.89 3.70 -0.05 5.12 -1.94 0.52 -0.73 119.30 127.81 3ag3 s MET 152 Ca 0.24 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 54.01 3ag3 s MET 152 Cb -0.15 -3.19 -0.02 0.00 2.01 0.00 0.00 34.83 33.47 3ag3 s MET 152 CO 0.09 0.51 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.92 3ag3 s LEU 153 N -0.29 2.46 -0.05 -0.03 1.43 -0.34 -0.56 118.68 121.31 3ag3 s LEU 153 Ca 0.10 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3ag3 s LEU 153 Cb -0.12 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3ag3 s LEU 153 CO 0.01 0.32 -0.09 -0.69 0.23 0.00 0.00 176.35 176.12 3ag3 s VAL 154 N -0.56 0.90 0.00 -1.59 1.01 0.51 -0.93 120.40 119.73 3ag3 s VAL 154 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3ag3 s VAL 154 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3ag3 s VAL 154 CO 0.01 0.30 0.00 -0.24 0.00 0.00 0.00 175.10 175.16 3ag3 n SER 155 N 3.79 0.00 -3.81 3.32 2.88 -0.57 -1.32 113.62 117.91 3ag3 n SER 155 Ca -0.23 -0.78 -0.12 0.00 -1.33 0.00 0.00 58.87 56.41 3ag3 n SER 155 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3ag3 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag3 s SER 156 N -0.44 -0.12 -0.00 -3.46 0.15 -1.25 -0.72 113.70 107.86 3ag3 s SER 156 Ca 0.00 0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.90 3ag3 s SER 156 Cb 0.00 0.32 0.52 0.00 -1.71 0.00 0.00 66.02 65.15 3ag3 s SER 156 CO 0.00 -0.34 1.44 -0.62 1.20 0.00 0.00 173.24 174.92 3ag3 n GLU 157 N 1.72 2.80 0.00 5.44 1.02 -0.27 -3.95 120.64 127.40 3ag3 n GLU 157 Ca -0.20 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 3ag3 n GLU 157 Cb 0.56 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3ag3 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag3 n ASP 158 N 1.23 0.00 -3.51 1.62 5.68 -1.26 -5.04 116.55 115.27 3ag3 n ASP 158 Ca 0.20 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.38 3ag3 n ASP 158 Cb 0.55 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.56 3ag3 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag3 n VAL 159 N 0.00 0.00 -2.37 2.12 0.24 -1.26 -4.61 118.33 112.44 3ag3 n VAL 159 Ca 0.00 -1.04 -0.36 0.00 -2.04 0.00 0.00 64.34 60.90 3ag3 n VAL 159 Cb 0.00 -0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 31.74 3ag3 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag3 s LEU 160 N 0.00 3.96 0.00 1.34 1.43 -1.26 -4.62 118.68 119.53 3ag3 s LEU 160 Ca 0.27 2.16 0.04 0.00 -1.03 0.00 0.00 54.13 55.56 3ag3 s LEU 160 Cb -0.02 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 3ag3 s LEU 160 CO 0.17 -0.86 0.13 1.41 0.23 0.00 0.00 176.35 177.43 3ag3 n HIS 161 N -0.63 -0.32 -3.71 0.29 8.25 -0.51 -4.29 115.22 114.30 3ag3 n HIS 161 Ca 0.08 -1.35 -0.12 0.00 -0.26 0.00 0.00 57.72 56.07 3ag3 n HIS 161 Cb 0.50 0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 3ag3 n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ag3 s SER 162 N -2.14 -0.51 -0.33 0.41 0.15 -1.26 -0.21 113.70 109.80 3ag3 s SER 162 Ca 0.18 0.94 -0.11 0.00 0.70 0.00 0.00 55.95 57.67 3ag3 s SER 162 Cb 0.01 0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 65.22 3ag3 s SER 162 CO 0.13 -0.17 0.18 0.86 1.20 0.00 0.00 173.24 175.44 3ag3 s TRP 163 N 0.70 3.20 0.02 3.44 -0.00 -0.32 -0.93 118.94 125.05 3ag3 s TRP 163 Ca -0.04 -0.55 0.05 0.00 -0.00 0.00 0.00 56.10 55.56 3ag3 s TRP 163 Cb -0.05 -2.40 -0.02 0.00 -0.00 0.00 0.00 33.47 31.00 3ag3 s TRP 163 CO -0.05 -0.46 -0.14 0.00 -0.00 0.00 0.00 176.95 176.30 3ag3 s ALA 164 N 1.63 1.13 -0.30 5.86 0.00 -1.26 -1.59 121.76 127.23 3ag3 s ALA 164 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3ag3 s ALA 164 Cb -0.17 -0.20 0.12 0.00 0.00 0.00 0.00 23.12 22.86 3ag3 s ALA 164 CO 0.07 0.23 0.20 0.08 0.00 0.00 0.00 175.76 176.34 3ag3 s VAL 165 N -0.70 -0.13 0.28 0.00 1.01 -0.44 -3.56 120.40 116.86 3ag3 s VAL 165 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3ag3 s VAL 165 Cb -0.07 -0.98 0.27 0.00 0.00 0.00 0.00 36.38 35.59 3ag3 s VAL 165 CO 0.01 -0.70 1.80 -0.65 0.00 0.00 0.00 175.10 175.56 3ag3 h PRO 166 N 8.08 0.80 0.00 2.72 0.11 -1.76 -2.33 132.00 139.62 3ag3 h PRO 166 Ca -0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ag3 h PRO 166 Cb 1.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ag3 h PRO 166 CO 0.37 0.53 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 3ag3 h SER 167 N 0.83 0.00 0.04 -2.05 4.64 -1.86 -1.36 113.55 113.79 3ag3 h SER 167 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3ag3 h SER 167 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3ag3 h SER 167 CO -0.31 0.00 -0.13 0.18 -0.87 0.00 0.00 176.83 175.70 3ag3 n LEU 168 N -2.82 1.82 0.00 5.97 4.77 -0.92 -0.53 117.00 125.30 3ag3 n LEU 168 Ca 0.02 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3ag3 n LEU 168 Cb 0.32 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3ag3 n LEU 168 CO 0.26 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3ag3 n GLY 169 N 1.29 0.50 3.38 -0.72 0.00 -0.51 -4.46 105.19 104.67 3ag3 n GLY 169 Ca 0.15 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3ag3 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 170 N 0.00 2.46 -0.29 0.99 1.43 -0.96 -4.96 118.68 117.35 3ag3 s LEU 170 Ca 0.00 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 3ag3 s LEU 170 Cb 0.00 -1.49 0.13 0.00 0.03 0.00 0.00 46.19 44.86 3ag3 s LEU 170 CO 0.00 0.29 0.62 -0.75 0.23 0.00 0.00 176.35 176.74 3ag3 s LYS 171 N -0.40 0.55 -0.06 1.70 2.20 -1.26 -1.33 119.74 121.15 3ag3 s LYS 171 Ca 0.04 1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 57.04 3ag3 s LYS 171 Cb -0.12 0.81 0.03 0.00 -1.51 0.00 0.00 37.83 37.04 3ag3 s LYS 171 CO 0.02 -0.22 0.00 0.99 -0.36 0.00 0.00 175.35 175.78 3ag3 s THR 172 N 2.87 0.34 0.72 3.43 2.01 -0.62 -4.96 115.64 119.42 3ag3 s THR 172 Ca -0.05 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 3ag3 s THR 172 Cb -0.12 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 71.93 3ag3 s THR 172 CO -0.18 0.24 1.11 -1.81 -0.69 0.00 0.00 174.62 173.29 3ag3 s ASP 173 N 1.85 4.72 -0.28 3.53 1.01 -1.26 -1.17 116.67 125.07 3ag3 s ASP 173 Ca 0.03 1.96 0.03 0.00 0.71 0.00 0.00 52.55 55.28 3ag3 s ASP 173 Cb -0.12 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.33 3ag3 s ASP 173 CO -0.04 -1.89 -0.08 0.00 0.21 0.00 0.00 175.17 173.37 3ag3 s ALA 174 N -2.55 2.63 -0.07 5.23 0.00 0.70 -4.75 121.76 122.95 3ag3 s ALA 174 Ca 0.65 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.74 3ag3 s ALA 174 Cb -0.20 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 3ag3 s ALA 174 CO 0.48 -1.29 -0.20 0.42 0.00 0.00 0.00 175.76 175.17 3ag3 s ILE 175 N 1.06 1.68 0.32 0.00 1.01 -1.26 -1.43 121.20 122.58 3ag3 s ILE 175 Ca -0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3ag3 s ILE 175 Cb -0.20 -1.45 -0.10 0.00 0.01 0.00 0.00 42.46 40.72 3ag3 s ILE 175 CO -0.06 0.47 1.27 -2.16 0.00 0.00 0.00 174.94 174.47 3ag3 s PRO 176 N 0.20 4.40 0.00 2.79 0.04 -1.25 -1.96 135.00 139.21 3ag3 s PRO 176 Ca -0.10 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3ag3 s PRO 176 Cb -0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3ag3 s PRO 176 CO 0.05 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3ag3 n GLY 177 N 0.86 0.77 2.95 0.56 0.00 -1.26 -4.96 105.19 104.11 3ag3 n GLY 177 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3ag3 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag3 s ARG 178 N -0.35 0.31 -0.50 1.61 3.52 -0.83 -5.12 118.95 117.59 3ag3 s ARG 178 Ca 0.00 -0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3ag3 s ARG 178 Cb 0.00 -0.24 0.13 0.00 -1.56 0.00 0.00 34.95 33.28 3ag3 s ARG 178 CO 0.00 0.06 0.28 -1.17 -0.81 0.00 0.00 175.30 173.66 3ag3 s LEU 179 N -0.38 5.01 0.10 -0.88 2.96 -1.26 -4.46 118.68 119.76 3ag3 s LEU 179 Ca -0.02 -2.53 -0.20 0.00 -0.22 0.00 0.00 54.13 51.17 3ag3 s LEU 179 Cb -0.03 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 3ag3 s LEU 179 CO -0.00 -0.40 0.60 0.20 -1.32 0.00 0.00 176.35 175.43 3ag3 s ASN 180 N 0.89 7.08 0.02 3.68 0.01 -0.43 -4.82 114.94 121.38 3ag3 s ASN 180 Ca 0.13 1.30 0.04 0.00 -0.71 0.00 0.00 52.86 53.62 3ag3 s ASN 180 Cb -0.22 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 3ag3 s ASN 180 CO -0.04 0.24 -0.09 -1.58 -1.51 0.00 0.00 177.10 174.12 3ag3 s GLN 181 N -1.25 2.43 0.13 -0.60 0.74 -1.26 -0.37 119.66 119.49 3ag3 s GLN 181 Ca 0.31 -0.80 -0.10 0.00 0.05 0.00 0.00 55.36 54.82 3ag3 s GLN 181 Cb -0.19 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.49 3ag3 s GLN 181 CO 0.20 0.58 0.28 -0.08 -0.55 0.00 0.00 175.29 175.71 3ag3 s THR 182 N -1.02 0.09 0.12 -0.34 -1.32 0.27 -5.01 115.64 108.44 3ag3 s THR 182 Ca 0.17 -1.17 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 3ag3 s THR 182 Cb -0.11 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 3ag3 s THR 182 CO 0.08 -0.43 -0.23 0.42 -2.21 0.00 0.00 174.62 172.26 3ag3 s THR 183 N -3.90 2.55 -0.02 5.08 -4.23 -1.26 -0.36 115.64 113.50 3ag3 s THR 183 Ca 0.10 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 3ag3 s THR 183 Cb 0.03 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 3ag3 s THR 183 CO -0.06 0.10 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.80 3ag3 s LEU 184 N -2.09 1.92 -0.22 4.79 0.20 -0.08 -4.94 118.68 118.26 3ag3 s LEU 184 Ca 0.16 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.74 3ag3 s LEU 184 Cb -0.10 -0.56 0.12 0.00 -0.43 0.00 0.00 46.19 45.21 3ag3 s LEU 184 CO 0.08 0.11 0.38 -0.32 -0.29 0.00 0.00 176.35 176.31 3ag3 s MET 185 N -0.07 0.33 -0.18 1.98 1.75 -1.26 -1.03 119.30 120.81 3ag3 s MET 185 Ca 0.01 0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 55.07 3ag3 s MET 185 Cb -0.06 -0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.36 3ag3 s MET 185 CO 0.00 -0.50 0.08 0.45 -0.65 0.00 0.00 175.02 174.40 3ag3 s SER 186 N 2.56 5.78 0.15 1.11 0.15 -1.26 -4.27 113.70 117.92 3ag3 s SER 186 Ca 0.08 0.13 0.25 0.00 0.70 0.00 0.00 55.95 57.11 3ag3 s SER 186 Cb -0.14 -1.99 0.93 0.00 -1.71 0.00 0.00 66.02 63.11 3ag3 s SER 186 CO -0.14 0.19 1.76 -1.20 1.20 0.00 0.00 173.24 175.05 3ag3 n SER 187 N 3.44 0.49 -4.11 5.45 7.64 -0.44 0.55 113.62 126.65 3ag3 n SER 187 Ca -0.17 0.57 -0.09 0.00 1.01 0.00 0.00 58.87 60.19 3ag3 n SER 187 Cb 0.52 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 3ag3 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ag3 s ARG 188 N -3.11 0.66 0.98 1.43 0.52 -1.26 -4.77 118.95 113.40 3ag3 s ARG 188 Ca 0.10 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 53.98 3ag3 s ARG 188 Cb 0.13 0.01 0.19 0.00 0.52 0.00 0.00 34.95 35.81 3ag3 s ARG 188 CO 0.50 -0.06 1.24 -1.25 0.02 0.00 0.00 175.30 175.75 3ag3 s PRO 189 N -3.50 0.49 0.00 3.54 0.04 -1.26 -4.83 135.00 129.48 3ag3 s PRO 189 Ca 0.05 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3ag3 s PRO 189 Cb 0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3ag3 s PRO 189 CO -0.07 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.84 3ag3 n GLY 190 N -2.94 0.75 3.41 0.56 0.00 -0.68 -4.92 105.19 101.38 3ag3 n GLY 190 Ca 0.13 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 3ag3 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 191 N 0.00 2.90 -0.06 0.99 1.43 -1.26 -1.03 118.68 121.65 3ag3 s LEU 191 Ca 0.00 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3ag3 s LEU 191 Cb 0.00 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.56 3ag3 s LEU 191 CO 0.00 0.17 -0.14 -0.31 0.23 0.00 0.00 176.35 176.30 3ag3 s TYR 192 N 0.36 1.54 0.17 0.29 1.51 -0.67 -4.95 117.35 115.60 3ag3 s TYR 192 Ca -0.09 -0.54 0.10 0.00 -1.01 0.00 0.00 57.07 55.53 3ag3 s TYR 192 Cb -0.15 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 3ag3 s TYR 192 CO 0.05 -0.25 -0.15 0.71 -1.11 0.00 0.00 175.55 174.80 3ag3 s TYR 193 N 0.48 2.53 0.31 2.71 2.02 -1.26 -0.19 117.35 123.95 3ag3 s TYR 193 Ca -0.12 -0.26 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 3ag3 s TYR 193 Cb -0.15 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3ag3 s TYR 193 CO 0.04 0.49 0.68 0.20 -1.57 0.00 0.00 175.55 175.38 3ag3 s GLY 194 N -2.66 0.23 0.02 0.71 0.00 -0.12 -4.16 107.32 101.34 3ag3 s GLY 194 Ca 0.22 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 3ag3 s GLY 194 CO 0.13 -0.29 0.07 1.20 0.00 0.00 0.00 173.10 174.21 3ag3 s GLN 195 N -3.46 0.47 0.35 2.90 -0.21 -1.23 -0.39 119.66 118.09 3ag3 s GLN 195 Ca 0.15 -0.59 -0.28 0.00 0.02 0.00 0.00 55.36 54.66 3ag3 s GLN 195 Cb -0.05 0.19 -0.11 0.00 1.00 0.00 0.00 33.01 34.04 3ag3 s GLN 195 CO 0.09 -0.11 1.46 0.00 -2.12 0.00 0.00 175.29 174.61 3ag3 n SER 197 N 0.80 1.60 -3.70 0.00 7.64 -0.11 -4.88 113.62 114.98 3ag3 n SER 197 Ca 0.02 -3.16 -0.13 0.00 1.01 0.00 0.00 58.87 56.60 3ag3 n SER 197 Cb 0.40 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 63.03 3ag3 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag3 s GLU 198 N -2.12 0.17 -0.24 1.43 2.56 -1.26 -4.67 118.70 114.57 3ag3 s GLU 198 Ca 0.37 0.62 -0.37 0.00 0.00 0.00 0.00 54.97 55.59 3ag3 s GLU 198 Cb 0.38 -0.09 -0.13 0.00 2.00 0.00 0.00 34.13 36.28 3ag3 s GLU 198 CO -0.10 -0.22 1.90 1.51 -0.56 0.00 0.00 175.26 177.79 3ag3 n ILE 199 N 4.77 0.36 -1.68 -3.70 3.06 -1.26 -4.45 119.36 116.46 3ag3 n ILE 199 Ca -0.16 -0.12 0.05 0.00 -2.50 0.00 0.00 62.75 60.02 3ag3 n ILE 199 Cb 0.51 -1.53 0.10 0.00 0.54 0.00 0.00 39.64 39.26 3ag3 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ag3 n GLY 201 N -0.66 -0.83 0.33 0.00 0.00 -1.26 -4.79 105.19 97.97 3ag3 n GLY 201 Ca 0.11 -2.14 0.21 0.00 0.00 0.00 0.00 46.02 44.20 3ag3 n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ag3 h SER 202 N 0.00 0.35 -0.28 1.61 0.02 -2.03 -2.42 113.55 110.79 3ag3 h SER 202 Ca 0.00 0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3ag3 h SER 202 Cb 0.00 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 3ag3 h SER 202 CO 0.00 -0.15 -0.07 0.59 -1.14 0.00 0.00 176.83 176.06 3ag3 n ASN 203 N -5.11 2.78 -0.32 3.07 5.03 -1.26 -4.62 115.26 114.83 3ag3 n ASN 203 Ca 0.29 -3.54 0.17 0.00 0.87 0.00 0.00 54.58 52.37 3ag3 n ASN 203 Cb 0.89 -0.59 0.36 0.00 -1.02 0.00 0.00 39.78 39.42 3ag3 n ASN 203 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3ag3 h HIS 204 N 1.12 0.79 0.00 3.10 -0.00 -1.74 0.10 115.15 118.52 3ag3 h HIS 204 Ca 0.14 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3ag3 h HIS 204 Cb 1.52 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.74 3ag3 h HIS 204 CO 0.80 -0.06 0.00 0.43 -0.00 0.00 0.00 177.93 179.10 3ag3 n SER 205 N -5.02 0.00 -2.54 3.26 7.64 -1.26 -3.98 113.62 111.72 3ag3 n SER 205 Ca 0.26 -0.29 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 3ag3 n SER 205 Cb 0.76 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.82 3ag3 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag3 n PHE 206 N -1.17 1.84 -3.22 1.43 0.99 0.02 -4.86 117.46 112.48 3ag3 n PHE 206 Ca 0.13 -2.23 -0.23 0.00 -0.00 0.00 0.00 57.45 55.11 3ag3 n PHE 206 Cb 0.13 -0.27 -0.07 0.00 -1.00 0.00 0.00 39.48 38.27 3ag3 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag3 n MET 207 N -0.61 0.45 -1.98 -1.08 0.00 -1.25 -4.53 117.12 108.13 3ag3 n MET 207 Ca 0.21 -3.01 -0.29 0.00 0.00 0.00 0.00 57.70 54.61 3ag3 n MET 207 Cb 0.86 -1.47 0.13 0.00 0.00 0.00 0.00 33.22 32.74 3ag3 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag3 s PRO 208 N -0.31 1.38 -0.06 3.17 0.04 -1.26 -3.47 135.00 134.49 3ag3 s PRO 208 Ca 0.33 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.21 3ag3 s PRO 208 Cb 0.10 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 3ag3 s PRO 208 CO -0.16 -1.92 -0.22 0.42 0.04 0.00 0.00 177.00 175.16 3ag3 s ILE 209 N -3.66 1.87 -0.06 0.56 1.01 0.48 -4.82 121.20 116.57 3ag3 s ILE 209 Ca 0.67 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 3ag3 s ILE 209 Cb -0.08 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.82 3ag3 s ILE 209 CO 0.50 0.52 -0.01 -0.69 0.00 0.00 0.00 174.94 175.26 3ag3 s VAL 210 N 0.01 0.40 -0.08 2.92 1.01 -1.26 -0.94 120.40 122.46 3ag3 s VAL 210 Ca -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3ag3 s VAL 210 Cb -0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3ag3 s VAL 210 CO 0.04 0.24 0.14 -0.76 0.00 0.00 0.00 175.10 174.76 3ag3 s LEU 211 N 1.59 4.31 -0.19 3.92 1.43 0.73 -0.84 118.68 129.64 3ag3 s LEU 211 Ca -0.01 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 3ag3 s LEU 211 Cb -0.13 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.88 3ag3 s LEU 211 CO -0.03 0.35 -0.14 -0.70 0.23 0.00 0.00 176.35 176.06 3ag3 s GLU 212 N -1.35 2.38 -0.20 1.70 2.12 0.92 -1.67 118.70 122.59 3ag3 s GLU 212 Ca 0.19 -0.87 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 3ag3 s GLU 212 Cb -0.12 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 3ag3 s GLU 212 CO 0.09 -0.35 0.02 -0.51 -0.54 0.00 0.00 175.26 173.96 3ag3 s LEU 213 N 1.34 3.34 0.13 2.70 2.01 -0.20 -1.16 118.68 126.84 3ag3 s LEU 213 Ca 0.00 -0.17 -0.06 0.00 0.01 0.00 0.00 54.13 53.92 3ag3 s LEU 213 Cb -0.15 -1.85 -0.02 0.00 0.01 0.00 0.00 46.19 44.17 3ag3 s LEU 213 CO -0.10 0.06 0.17 0.68 1.01 0.00 0.00 176.35 178.18 3ag3 s VAL 214 N 1.01 0.10 0.58 -1.59 -7.23 -0.83 -1.68 120.40 110.76 3ag3 s VAL 214 Ca 0.02 -1.56 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 3ag3 s VAL 214 Cb -0.14 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3ag3 s VAL 214 CO 0.02 -0.46 1.17 -2.84 -0.31 0.00 0.00 175.10 172.68 3ag3 s PRO 215 N -3.97 3.08 0.28 4.82 0.02 -1.26 -0.54 135.00 137.43 3ag3 s PRO 215 Ca 0.17 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.93 3ag3 s PRO 215 Cb 0.05 -1.96 0.66 0.00 0.02 0.00 0.00 34.50 33.28 3ag3 s PRO 215 CO -0.02 -1.09 1.72 1.25 -0.33 0.00 0.00 177.00 178.53 3ag3 h LEU 216 N 0.92 0.41 -1.47 -5.54 5.85 -1.93 -0.21 115.31 113.34 3ag3 h LEU 216 Ca -0.50 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3ag3 h LEU 216 Cb 1.28 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 3ag3 h LEU 216 CO 0.56 0.08 0.42 0.11 -0.34 0.00 0.00 178.44 179.26 3ag3 h LYS 217 N 0.48 0.64 -0.01 1.25 1.79 -2.00 0.20 116.57 118.92 3ag3 h LYS 217 Ca 0.53 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.76 3ag3 h LYS 217 Cb 0.92 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 3ag3 h LYS 217 CO -0.47 0.42 -0.84 1.88 -1.08 0.00 0.00 179.45 179.37 3ag3 h TYR 218 N 0.66 0.35 -0.11 -1.35 0.05 -1.51 -1.67 116.97 113.39 3ag3 h TYR 218 Ca 0.27 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3ag3 h TYR 218 Cb 0.22 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 3ag3 h TYR 218 CO -0.00 0.97 0.04 0.35 -1.05 0.00 0.00 178.16 178.47 3ag3 h PHE 219 N 0.14 0.17 -0.83 4.88 3.57 -0.11 -0.20 116.94 124.57 3ag3 h PHE 219 Ca -0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.58 3ag3 h PHE 219 Cb 1.45 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 40.05 3ag3 h PHE 219 CO 0.03 0.28 0.43 0.93 -2.23 0.00 0.00 178.31 177.75 3ag3 h GLU 220 N 0.01 0.62 -0.45 1.11 5.08 -0.62 0.24 114.58 120.57 3ag3 h GLU 220 Ca 0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3ag3 h GLU 220 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3ag3 h GLU 220 CO -0.00 0.41 0.09 0.87 -1.00 0.00 0.00 179.01 179.38 3ag3 h LYS 221 N 0.64 0.74 -0.43 2.33 1.57 -1.13 -1.55 116.57 118.74 3ag3 h LYS 221 Ca 0.44 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ag3 h LYS 221 Cb 0.57 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3ag3 h LYS 221 CO -0.33 0.75 0.26 2.35 -0.57 0.00 0.00 179.45 181.90 3ag3 h TRP 222 N 0.61 0.56 0.47 -1.35 7.01 -0.61 -1.32 115.95 121.32 3ag3 h TRP 222 Ca 0.14 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3ag3 h TRP 222 Cb 0.36 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 3ag3 h TRP 222 CO 0.02 0.40 -0.32 0.77 -2.79 0.00 0.00 178.44 176.52 3ag3 h SER 223 N 0.56 -0.83 -0.62 2.65 0.02 -0.26 -0.48 113.55 114.59 3ag3 h SER 223 Ca 0.15 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3ag3 h SER 223 Cb 0.00 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 3ag3 h SER 223 CO -0.03 -0.49 -0.52 0.00 -1.14 0.00 0.00 176.83 174.65 3ag3 h ALA 224 N -0.33 -0.63 -0.81 3.77 0.00 -1.15 -0.25 119.26 119.86 3ag3 h ALA 224 Ca -0.05 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3ag3 h ALA 224 Cb 0.65 1.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 3ag3 h ALA 224 CO 0.03 -0.94 0.53 0.66 0.00 0.00 0.00 179.25 179.53 3ag3 h SER 225 N -0.19 0.55 -0.25 0.00 4.64 -1.07 -2.69 113.55 114.53 3ag3 h SER 225 Ca 0.10 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ag3 h SER 225 Cb 0.46 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3ag3 h SER 225 CO -0.69 0.29 0.00 0.80 -0.87 0.00 0.00 176.83 176.36 3ag3 n MET 226 N -4.52 1.67 0.00 4.77 0.00 -0.11 -5.10 117.12 113.84 3ag3 n MET 226 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 57.70 56.91 3ag3 n MET 226 Cb 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.43 3ag3 n MET 226 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25