#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s TYR 3 N 0.00 2.70 0.36 0.00 -0.85 -1.26 -5.07 117.35 113.24 3ag1 s TYR 3 Ca 0.00 -0.22 -0.26 0.00 -0.52 0.00 0.00 57.07 56.07 3ag1 s TYR 3 Cb 0.00 -1.21 -0.12 0.00 0.38 0.00 0.00 41.96 41.01 3ag1 s TYR 3 CO 0.00 0.61 1.08 -2.30 -1.52 0.00 0.00 175.55 173.42 3ag1 n PRO 4 N -0.79 1.55 -1.76 -3.49 -0.02 -1.26 -2.26 135.00 126.96 3ag1 n PRO 4 Ca -0.07 0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 3ag1 n PRO 4 Cb 0.59 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3ag1 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag1 n MET 5 N 0.41 -1.30 -2.01 -0.52 2.81 -1.26 -4.97 117.12 110.27 3ag1 n MET 5 Ca 0.08 1.06 -0.41 0.00 -1.81 0.00 0.00 57.70 56.62 3ag1 n MET 5 Cb 0.36 -5.39 -0.02 0.00 -0.71 0.00 0.00 33.22 27.47 3ag1 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag1 s GLN 6 N -3.92 4.27 -0.20 0.03 0.74 -0.96 -4.95 119.66 114.67 3ag1 s GLN 6 Ca 0.00 2.32 0.05 0.00 0.05 0.00 0.00 55.36 57.78 3ag1 s GLN 6 Cb 0.00 -3.07 -0.21 0.00 1.10 0.00 0.00 33.01 30.83 3ag1 s GLN 6 CO 0.00 -0.37 0.02 1.28 -0.55 0.00 0.00 175.29 175.67 3ag1 n LEU 7 N 1.57 2.07 0.00 3.68 4.77 -1.26 -5.07 117.00 122.76 3ag1 n LEU 7 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ag1 n LEU 7 Cb 0.40 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3ag1 n LEU 7 CO 0.61 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 3ag1 n GLY 8 N 2.04 6.01 3.79 -0.72 0.00 -1.26 -5.11 105.19 109.94 3ag1 n GLY 8 Ca -0.38 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 3ag1 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag1 s PHE 9 N 1.63 3.07 0.57 1.61 0.40 -1.26 -5.02 117.98 118.97 3ag1 s PHE 9 Ca 0.00 1.60 -0.19 0.00 -0.60 0.00 0.00 56.93 57.74 3ag1 s PHE 9 Cb 0.00 -3.10 -0.07 0.00 0.51 0.00 0.00 43.02 40.36 3ag1 s PHE 9 CO 0.00 -0.81 0.85 1.04 0.70 0.00 0.00 175.22 177.00 3ag1 n GLN 10 N -0.66 0.84 -1.81 0.44 6.02 -1.26 -4.93 117.38 116.02 3ag1 n GLN 10 Ca 0.08 0.32 -0.38 0.00 -0.01 0.00 0.00 57.00 57.01 3ag1 n GLN 10 Cb 0.51 -2.02 0.04 0.00 1.02 0.00 0.00 30.24 29.79 3ag1 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ag1 s ASP 11 N -1.16 5.39 0.20 1.08 -0.00 -1.26 -4.88 116.67 116.04 3ag1 s ASP 11 Ca 0.72 2.76 -0.30 0.00 -0.00 0.00 0.00 52.55 55.73 3ag1 s ASP 11 Cb -0.44 -2.64 -0.08 0.00 -0.00 0.00 0.00 42.92 39.76 3ag1 s ASP 11 CO 0.50 -1.49 1.18 0.00 -0.00 0.00 0.00 175.17 175.37 3ag1 s ALA 12 N -1.31 3.43 -0.24 5.23 0.00 -1.26 -4.75 121.76 122.86 3ag1 s ALA 12 Ca 0.70 0.95 0.17 0.00 0.00 0.00 0.00 51.96 53.78 3ag1 s ALA 12 Cb -0.40 -3.40 -0.25 0.00 0.00 0.00 0.00 23.12 19.07 3ag1 s ALA 12 CO 0.48 -0.34 0.48 2.41 0.00 0.00 0.00 175.76 178.78 3ag1 n THR 13 N 2.28 0.00 -4.38 0.00 -1.04 0.12 -4.92 114.28 106.33 3ag1 n THR 13 Ca 0.03 -0.32 -0.22 0.00 -2.04 0.00 0.00 64.05 61.50 3ag1 n THR 13 Cb 0.45 0.35 -0.11 0.00 -1.82 0.00 0.00 70.33 69.20 3ag1 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag1 s SER 14 N -3.63 2.97 0.28 8.00 1.04 -1.23 -1.01 113.70 120.12 3ag1 s SER 14 Ca -0.03 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.44 3ag1 s SER 14 Cb 0.12 -0.20 0.42 0.00 0.10 0.00 0.00 66.02 66.46 3ag1 s SER 14 CO 0.72 -0.03 1.91 -0.65 0.98 0.00 0.00 173.24 176.17 3ag1 h PRO 15 N 2.85 1.13 -0.20 4.02 0.11 -1.93 -1.99 132.00 135.98 3ag1 h PRO 15 Ca -0.41 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3ag1 h PRO 15 Cb 1.22 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3ag1 h PRO 15 CO 0.55 0.75 0.11 0.82 -0.21 0.00 0.00 178.00 180.02 3ag1 h ILE 16 N 1.16 1.01 -0.25 4.15 1.08 -1.93 -1.87 117.51 120.87 3ag1 h ILE 16 Ca 0.40 -0.08 -0.06 0.00 -0.39 0.00 0.00 64.86 64.73 3ag1 h ILE 16 Cb 0.09 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 3ag1 h ILE 16 CO -0.14 0.04 -0.10 -0.03 -0.69 0.00 0.00 178.15 177.24 3ag1 h MET 17 N 0.23 0.40 -0.43 2.37 4.05 -1.67 -2.27 114.93 117.61 3ag1 h MET 17 Ca 0.08 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 3ag1 h MET 17 Cb 0.01 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3ag1 h MET 17 CO -0.05 0.51 0.01 1.49 0.23 0.00 0.00 176.91 179.10 3ag1 h GLU 18 N 0.38 0.75 -0.82 0.39 4.81 -1.15 -2.02 114.58 116.92 3ag1 h GLU 18 Ca 0.08 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3ag1 h GLU 18 Cb 0.41 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 3ag1 h GLU 18 CO 0.02 0.82 0.51 1.49 -0.73 0.00 0.00 179.01 181.12 3ag1 h GLU 19 N 0.59 0.90 -0.83 1.92 4.57 -1.06 -1.96 114.58 118.71 3ag1 h GLU 19 Ca 0.12 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3ag1 h GLU 19 Cb 0.47 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3ag1 h GLU 19 CO 0.02 0.60 0.40 -0.07 -1.18 0.00 0.00 179.01 178.77 3ag1 h LEU 20 N 0.93 1.09 -0.44 1.64 3.38 -1.23 -0.20 115.31 120.48 3ag1 h LEU 20 Ca 0.36 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3ag1 h LEU 20 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ag1 h LEU 20 CO -0.17 0.92 0.22 -0.07 0.09 0.00 0.00 178.44 179.43 3ag1 h LEU 21 N 1.18 0.33 -0.27 1.67 3.38 -0.62 0.39 115.31 121.37 3ag1 h LEU 21 Ca 0.28 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.16 3ag1 h LEU 21 Cb 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ag1 h LEU 21 CO -0.04 0.23 -0.29 0.45 0.09 0.00 0.00 178.44 178.88 3ag1 h HIS 22 N 0.45 0.81 -0.22 1.13 3.86 -1.16 -1.11 115.15 118.91 3ag1 h HIS 22 Ca 0.19 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3ag1 h HIS 22 Cb 0.09 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 3ag1 h HIS 22 CO -0.10 0.99 -0.10 0.35 0.86 0.00 0.00 177.93 179.93 3ag1 h PHE 23 N 0.40 -0.24 -0.83 2.45 3.04 -0.79 -0.97 116.94 119.99 3ag1 h PHE 23 Ca 0.04 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 3ag1 h PHE 23 Cb 0.87 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 3ag1 h PHE 23 CO 0.08 -0.16 0.49 1.25 -2.02 0.00 0.00 178.31 177.94 3ag1 h HIS 24 N -0.08 1.11 -0.29 0.41 2.76 -0.10 -1.48 115.15 117.49 3ag1 h HIS 24 Ca 0.12 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 3ag1 h HIS 24 Cb 0.25 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 3ag1 h HIS 24 CO -0.27 0.76 -0.01 -0.44 -1.30 0.00 0.00 177.93 176.67 3ag1 h ASP 25 N 1.15 -0.13 0.13 3.26 3.32 -0.81 0.19 116.42 123.53 3ag1 h ASP 25 Ca 0.30 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.43 3ag1 h ASP 25 Cb -0.02 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3ag1 h ASP 25 CO -0.05 -0.03 -0.36 -0.74 -1.72 0.00 0.00 179.24 176.34 3ag1 h HIS 26 N 0.08 -0.98 -0.72 4.55 -0.00 -0.76 -2.30 115.15 115.01 3ag1 h HIS 26 Ca 0.14 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 3ag1 h HIS 26 Cb 0.19 0.41 -0.05 0.00 -0.00 0.00 0.00 27.41 27.96 3ag1 h HIS 26 CO -0.22 -0.46 0.43 1.15 -0.00 0.00 0.00 177.93 178.82 3ag1 h THR 27 N -0.59 1.01 -0.40 6.26 2.02 -1.09 -3.08 112.91 117.04 3ag1 h THR 27 Ca 0.03 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3ag1 h THR 27 Cb 0.62 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3ag1 h THR 27 CO -0.20 0.14 0.10 0.25 0.37 0.00 0.00 175.52 176.18 3ag1 h LEU 28 N 0.79 0.54 -0.74 2.58 5.85 -0.42 -0.11 115.31 123.81 3ag1 h LEU 28 Ca 0.32 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3ag1 h LEU 28 Cb 0.16 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ag1 h LEU 28 CO -0.17 0.55 0.40 -0.03 -0.34 0.00 0.00 178.44 178.85 3ag1 h MET 29 N 0.58 1.03 -0.24 1.25 4.05 -1.32 -0.76 114.93 119.52 3ag1 h MET 29 Ca 0.13 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 3ag1 h MET 29 Cb 0.22 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3ag1 h MET 29 CO -0.00 0.77 -0.02 0.82 0.23 0.00 0.00 176.91 178.71 3ag1 h ILE 30 N 1.02 1.26 -0.80 1.77 2.04 -1.19 -1.49 117.51 120.13 3ag1 h ILE 30 Ca 0.26 -0.95 0.16 0.00 1.00 0.00 0.00 64.86 65.33 3ag1 h ILE 30 Cb 0.04 1.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.43 3ag1 h ILE 30 CO -0.04 0.29 0.33 0.58 0.00 0.00 0.00 178.15 179.32 3ag1 h VAL 31 N 0.19 0.63 -0.27 1.67 2.07 -0.66 -2.36 116.25 117.52 3ag1 h VAL 31 Ca 0.07 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3ag1 h VAL 31 Cb 0.44 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ag1 h VAL 31 CO 0.02 0.08 -0.19 -0.26 0.02 0.00 0.00 177.57 177.24 3ag1 h PHE 32 N 0.46 0.71 -0.26 1.57 0.05 -0.83 -0.86 116.94 117.78 3ag1 h PHE 32 Ca 0.45 -0.19 0.04 0.00 3.82 0.00 0.00 57.97 62.09 3ag1 h PHE 32 Cb 0.71 -0.16 -0.07 0.00 2.00 0.00 0.00 35.95 38.43 3ag1 h PHE 32 CO -0.15 0.88 -0.52 -0.07 -0.18 0.00 0.00 178.31 178.27 3ag1 h LEU 33 N 0.33 -1.69 -0.29 1.54 -0.00 -0.98 -1.95 115.31 112.27 3ag1 h LEU 33 Ca 0.05 0.22 -0.06 0.00 -0.00 0.00 0.00 57.88 58.09 3ag1 h LEU 33 Cb 0.73 0.68 -0.01 0.00 -0.00 0.00 0.00 40.66 42.06 3ag1 h LEU 33 CO 0.05 -0.44 -0.04 0.40 -0.00 0.00 0.00 178.44 178.41 3ag1 h ILE 34 N -0.49 1.27 0.00 1.22 2.04 -1.37 0.51 117.51 120.69 3ag1 h ILE 34 Ca 0.06 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 3ag1 h ILE 34 Cb 0.64 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3ag1 h ILE 34 CO -0.50 0.33 -0.28 0.77 0.00 0.00 0.00 178.15 178.47 3ag1 h SER 35 N 0.32 0.00 0.19 1.72 4.64 -1.16 -0.85 113.55 118.41 3ag1 h SER 35 Ca 0.08 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.04 3ag1 h SER 35 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3ag1 h SER 35 CO 0.02 0.28 -1.76 0.77 -0.87 0.00 0.00 176.83 175.27 3ag1 h SER 36 N 0.00 0.62 -0.55 4.97 4.64 -0.50 -2.38 113.55 120.35 3ag1 h SER 36 Ca -0.00 -0.94 0.11 0.00 -0.47 0.00 0.00 61.79 60.49 3ag1 h SER 36 Cb 0.68 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 62.48 3ag1 h SER 36 CO 0.04 1.79 0.00 0.25 -0.87 0.00 0.00 176.83 178.04 3ag1 h LEU 37 N 0.11 -0.23 -0.70 5.97 5.85 0.09 0.12 115.31 126.51 3ag1 h LEU 37 Ca -0.35 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3ag1 h LEU 37 Cb 2.10 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 43.33 3ag1 h LEU 37 CO 0.18 -0.09 0.46 0.58 -0.34 0.00 0.00 178.44 179.23 3ag1 h VAL 38 N 0.12 1.18 -0.47 1.05 2.07 -1.18 0.31 116.25 119.33 3ag1 h VAL 38 Ca 0.28 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 3ag1 h VAL 38 Cb 0.44 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3ag1 h VAL 38 CO -0.46 0.17 -0.24 0.25 0.02 0.00 0.00 177.57 177.31 3ag1 h LEU 39 N 0.95 1.02 0.28 2.57 5.85 -0.86 -1.65 115.31 123.46 3ag1 h LEU 39 Ca 0.26 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ag1 h LEU 39 Cb -0.11 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.64 3ag1 h LEU 39 CO -0.05 1.20 -0.17 0.22 -0.34 0.00 0.00 178.44 179.30 3ag1 h TYR 40 N 0.84 -0.45 -0.49 1.25 3.20 -0.30 -1.93 116.97 119.08 3ag1 h TYR 40 Ca 0.10 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3ag1 h TYR 40 Cb 0.82 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 3ag1 h TYR 40 CO 0.06 -0.27 0.15 0.82 -1.64 0.00 0.00 178.16 177.27 3ag1 h ILE 41 N -0.44 0.79 -0.65 1.81 2.04 -0.79 0.57 117.51 120.84 3ag1 h ILE 41 Ca -0.03 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3ag1 h ILE 41 Cb 0.36 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 3ag1 h ILE 41 CO 0.03 0.06 0.29 0.40 0.00 0.00 0.00 178.15 178.93 3ag1 h ILE 42 N 0.31 0.82 -0.01 -0.67 2.04 -1.25 0.13 117.51 118.88 3ag1 h ILE 42 Ca 0.24 -0.17 -0.23 0.00 1.00 0.00 0.00 64.86 65.70 3ag1 h ILE 42 Cb 0.28 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3ag1 h ILE 42 CO -0.27 0.09 -0.94 0.77 0.00 0.00 0.00 178.15 177.80 3ag1 h SER 43 N 0.50 0.57 -0.56 1.72 4.64 -0.41 -2.76 113.55 117.25 3ag1 h SER 43 Ca 0.32 -0.45 0.11 0.00 -0.47 0.00 0.00 61.79 61.30 3ag1 h SER 43 Cb 0.36 -0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 62.16 3ag1 h SER 43 CO -0.28 1.25 -0.25 0.25 -0.87 0.00 0.00 176.83 176.93 3ag1 h LEU 44 N 0.25 -0.87 -2.43 5.97 5.85 -0.48 -2.40 115.31 121.21 3ag1 h LEU 44 Ca -0.08 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 44 Cb 1.57 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 3ag1 h LEU 44 CO 0.16 -0.26 0.07 0.24 -0.34 0.00 0.00 178.44 178.31 3ag1 h MET 45 N -0.11 0.00 -0.05 1.25 2.86 -0.65 -3.09 114.93 115.15 3ag1 h MET 45 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ag1 h MET 45 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3ag1 h MET 45 CO -0.63 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.62 3ag1 n LEU 46 N -3.76 2.75 -1.74 1.22 4.77 -0.93 -4.51 117.00 114.81 3ag1 n LEU 46 Ca -0.02 -1.03 -0.18 0.00 -0.03 0.00 0.00 56.01 54.75 3ag1 n LEU 46 Cb 0.16 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3ag1 n LEU 46 CO 0.27 0.48 0.44 0.35 -1.33 0.00 0.00 177.39 177.60 3ag1 n THR 47 N 1.17 2.63 -3.90 -5.08 -2.24 -1.07 -4.98 114.28 100.81 3ag1 n THR 47 Ca 0.12 -3.71 -0.11 0.00 -2.27 0.00 0.00 64.05 58.09 3ag1 n THR 47 Cb 0.52 -0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 3ag1 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag1 s THR 48 N -4.24 0.04 -0.92 4.28 -1.32 -1.26 -5.02 115.64 107.19 3ag1 s THR 48 Ca 0.50 -0.34 0.26 0.00 -1.21 0.00 0.00 61.69 60.90 3ag1 s THR 48 Cb 0.42 -0.15 0.07 0.00 -1.51 0.00 0.00 72.50 71.33 3ag1 s THR 48 CO 0.01 -0.19 1.52 0.29 -2.21 0.00 0.00 174.62 174.04 3ag1 n LYS 49 N 2.48 0.07 -2.17 7.08 4.76 -1.26 -4.91 118.16 124.21 3ag1 n LYS 49 Ca -0.17 0.02 -0.36 0.00 -2.87 0.00 0.00 58.31 54.94 3ag1 n LYS 49 Cb 0.58 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 3ag1 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag1 s LEU 50 N -3.29 3.76 0.04 -0.35 1.43 -1.26 -5.05 118.68 113.97 3ag1 s LEU 50 Ca 0.11 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3ag1 s LEU 50 Cb 0.17 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3ag1 s LEU 50 CO 0.67 -1.30 -0.05 0.42 0.23 0.00 0.00 176.35 176.32 3ag1 s THR 51 N -1.67 0.32 -0.37 5.49 -4.23 -1.26 -5.09 115.64 108.83 3ag1 s THR 51 Ca 0.73 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 3ag1 s THR 51 Cb -0.27 -0.88 0.17 0.00 1.34 0.00 0.00 72.50 72.86 3ag1 s THR 51 CO 0.30 -0.66 0.52 -2.28 -0.54 0.00 0.00 174.62 171.97 3ag1 s HIS 52 N -2.41 -1.22 -0.55 3.99 5.04 -1.26 -5.02 115.29 113.87 3ag1 s HIS 52 Ca -0.05 -0.01 0.11 0.00 -1.54 0.00 0.00 55.06 53.58 3ag1 s HIS 52 Cb -0.03 0.04 -0.12 0.00 0.04 0.00 0.00 32.58 32.51 3ag1 s HIS 52 CO -0.04 -1.09 0.48 0.25 -2.34 0.00 0.00 174.74 172.01 3ag1 n THR 53 N 4.55 0.00 -1.31 0.89 -2.24 -1.26 -4.95 114.28 109.95 3ag1 n THR 53 Ca 0.09 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 3ag1 n THR 53 Cb 0.52 1.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.90 3ag1 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag1 s SER 54 N -2.03 3.41 0.15 3.42 1.04 -1.26 -4.97 113.70 113.47 3ag1 s SER 54 Ca 0.04 1.28 -0.34 0.00 0.48 0.00 0.00 55.95 57.42 3ag1 s SER 54 Cb 0.08 -1.95 -0.13 0.00 0.10 0.00 0.00 66.02 64.12 3ag1 s SER 54 CO 0.45 -2.65 1.62 0.41 0.98 0.00 0.00 173.24 174.05 3ag1 n THR 55 N -3.87 0.04 -3.94 2.02 -1.04 -1.26 -5.04 114.28 101.19 3ag1 n THR 55 Ca 0.06 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.75 3ag1 n THR 55 Cb 0.57 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 3ag1 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag1 s MET 56 N 1.15 3.35 -0.12 -2.82 1.00 -1.26 -5.11 119.30 115.48 3ag1 s MET 56 Ca 0.79 -0.44 -0.20 0.00 0.00 0.00 0.00 55.69 55.84 3ag1 s MET 56 Cb -0.65 -3.01 -0.04 0.00 0.00 0.00 0.00 34.83 31.13 3ag1 s MET 56 CO 0.38 0.63 0.56 0.34 0.00 0.00 0.00 175.02 176.93 3ag1 s ASP 57 N -2.27 6.76 -0.22 3.03 2.15 -1.26 -5.02 116.67 119.84 3ag1 s ASP 57 Ca 0.31 0.91 -0.19 0.00 0.43 0.00 0.00 52.55 54.01 3ag1 s ASP 57 Cb -0.13 -2.33 -0.16 0.00 -0.30 0.00 0.00 42.92 40.00 3ag1 s ASP 57 CO 0.23 -0.08 0.04 0.00 -0.17 0.00 0.00 175.17 175.19 3ag1 n ALA 58 N 3.98 0.87 -2.17 3.66 0.00 -1.26 -4.82 120.51 120.78 3ag1 n ALA 58 Ca -0.04 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.44 3ag1 n ALA 58 Cb 0.51 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 3ag1 n ALA 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ag1 s GLN 59 N -2.40 2.79 0.02 0.00 2.00 -1.26 -2.74 119.66 118.06 3ag1 s GLN 59 Ca -0.31 -1.15 0.00 0.00 -2.00 0.00 0.00 55.36 51.90 3ag1 s GLN 59 Cb 0.08 -5.27 0.00 0.00 0.80 0.00 0.00 33.01 28.62 3ag1 s GLN 59 CO 0.55 -3.53 0.00 -0.85 -0.50 0.00 0.00 175.29 170.95 3ag1 n GLU 60 N 8.42 0.00 0.25 1.67 -0.00 -1.26 -4.88 120.64 124.84 3ag1 n GLU 60 Ca 0.44 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.74 3ag1 n GLU 60 Cb 0.47 0.00 0.55 0.00 -0.00 0.00 0.00 31.44 32.46 3ag1 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag1 h VAL 61 N 0.00 0.24 0.00 3.84 3.04 -1.83 -3.13 116.25 118.40 3ag1 h VAL 61 Ca 0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 66.70 64.84 3ag1 h VAL 61 Cb 0.00 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 3ag1 h VAL 61 CO 0.00 0.09 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.10 3ag1 h GLU 62 N 0.00 0.00 0.23 4.17 5.08 -1.87 -1.82 114.58 120.37 3ag1 h GLU 62 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ag1 h GLU 62 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3ag1 h GLU 62 CO 0.01 0.23 -0.22 1.15 -1.00 0.00 0.00 179.01 179.18 3ag1 h THR 63 N 0.00 0.52 -0.17 1.13 2.02 -1.86 -3.08 112.91 111.48 3ag1 h THR 63 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3ag1 h THR 63 Cb 0.78 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3ag1 h THR 63 CO 0.03 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 175.95 3ag1 h ILE 64 N -0.48 0.21 -0.10 3.11 2.04 -1.51 0.26 117.51 121.05 3ag1 h ILE 64 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3ag1 h ILE 64 Cb 0.44 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3ag1 h ILE 64 CO -0.05 0.00 0.06 -2.67 0.00 0.00 0.00 178.15 175.49 3ag1 n TRP 65 N -5.42 0.31 0.05 1.37 2.14 -0.85 -1.95 117.44 113.09 3ag1 n TRP 65 Ca -0.03 -0.55 0.00 0.00 2.07 0.00 0.00 57.50 58.99 3ag1 n TRP 65 Cb 0.34 -0.30 0.00 0.00 -0.81 0.00 0.00 31.31 30.55 3ag1 n TRP 65 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3ag1 n THR 66 N 0.29 0.06 -0.24 -1.67 5.66 -1.03 -4.67 114.28 112.68 3ag1 n THR 66 Ca 0.06 0.02 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 3ag1 n THR 66 Cb 0.58 -0.62 0.04 0.00 -1.55 0.00 0.00 70.33 68.78 3ag1 n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3ag1 h ILE 67 N 0.00 1.26 0.54 1.09 1.08 -0.94 -2.56 117.51 117.98 3ag1 h ILE 67 Ca 0.00 -0.97 -0.02 0.00 -0.39 0.00 0.00 64.86 63.48 3ag1 h ILE 67 Cb 0.07 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3ag1 h ILE 67 CO 0.00 0.37 -0.50 -0.07 -0.69 0.00 0.00 178.15 177.26 3ag1 h LEU 68 N 0.99 -1.36 -2.09 1.44 4.07 -1.60 0.34 115.31 117.10 3ag1 h LEU 68 Ca 0.20 0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.35 3ag1 h LEU 68 Cb 0.39 0.44 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 3ag1 h LEU 68 CO 0.01 -0.68 0.22 -0.65 -1.08 0.00 0.00 178.44 176.26 3ag1 h PRO 69 N -1.03 0.00 0.16 1.13 0.11 -1.78 -2.20 132.00 128.40 3ag1 h PRO 69 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3ag1 h PRO 69 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3ag1 h PRO 69 CO -0.04 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 177.67 3ag1 h ALA 70 N 1.81 -0.21 -0.97 -0.75 0.00 -0.96 -2.00 119.26 116.17 3ag1 h ALA 70 Ca 0.13 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ag1 h ALA 70 Cb 0.56 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3ag1 h ALA 70 CO -0.00 -0.55 0.64 0.82 0.00 0.00 0.00 179.25 180.16 3ag1 h ILE 71 N -0.36 1.14 -0.60 0.00 2.04 -0.54 -2.90 117.51 116.29 3ag1 h ILE 71 Ca -0.02 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3ag1 h ILE 71 Cb 0.28 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3ag1 h ILE 71 CO 0.04 0.22 0.04 0.40 0.00 0.00 0.00 178.15 178.85 3ag1 h ILE 72 N 1.20 1.26 -0.87 -0.67 2.04 -1.11 -1.55 117.51 117.81 3ag1 h ILE 72 Ca 0.40 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3ag1 h ILE 72 Cb 0.06 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3ag1 h ILE 72 CO -0.13 0.40 0.55 -0.07 0.00 0.00 0.00 178.15 178.90 3ag1 h LEU 73 N 0.92 1.03 -0.91 1.44 3.38 -1.30 -2.68 115.31 117.18 3ag1 h LEU 73 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ag1 h LEU 73 Cb 0.50 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ag1 h LEU 73 CO 0.02 0.77 0.36 0.40 0.09 0.00 0.00 178.44 180.08 3ag1 h ILE 74 N 1.19 1.25 0.00 1.22 2.04 -1.22 -0.52 117.51 121.47 3ag1 h ILE 74 Ca 0.32 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3ag1 h ILE 74 Cb -0.09 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3ag1 h ILE 74 CO -0.06 0.31 -0.01 -0.07 0.00 0.00 0.00 178.15 178.32 3ag1 h LEU 75 N 1.13 0.00 0.04 1.44 4.07 -0.98 -2.26 115.31 118.75 3ag1 h LEU 75 Ca 0.27 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.87 3ag1 h LEU 75 Cb 0.14 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3ag1 h LEU 75 CO -0.03 0.01 -2.08 -0.38 -1.08 0.00 0.00 178.44 174.88 3ag1 n ILE 76 N -3.23 1.60 -0.05 1.22 5.41 -0.98 -4.58 119.36 118.76 3ag1 n ILE 76 Ca -0.03 -0.45 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 3ag1 n ILE 76 Cb 0.10 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.25 3ag1 n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ag1 h ALA 77 N -0.27 0.46 -0.32 -1.39 0.00 -0.86 -2.52 119.26 114.37 3ag1 h ALA 77 Ca -0.50 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 53.91 3ag1 h ALA 77 Cb 1.76 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 3ag1 h ALA 77 CO -0.12 0.69 -0.48 -0.07 0.00 0.00 0.00 179.25 179.26 3ag1 h LEU 78 N 0.60 -1.60 -0.91 0.00 4.07 -1.67 0.74 115.31 116.53 3ag1 h LEU 78 Ca -0.00 0.21 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 3ag1 h LEU 78 Cb 1.22 0.65 -0.03 0.00 1.08 0.00 0.00 40.66 43.58 3ag1 h LEU 78 CO 0.13 -0.36 0.18 1.55 -1.08 0.00 0.00 178.44 178.86 3ag1 h PRO 79 N -0.37 0.98 -0.17 1.13 0.13 -1.80 -2.09 132.00 129.80 3ag1 h PRO 79 Ca 0.06 -0.20 0.05 0.00 -0.87 0.00 0.00 66.00 65.03 3ag1 h PRO 79 Cb 0.53 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.46 3ag1 h PRO 79 CO -0.49 0.85 -0.17 1.03 -0.23 0.00 0.00 178.00 178.99 3ag1 h SER 80 N 0.94 -0.53 0.41 1.44 0.87 -0.92 -1.80 113.55 113.96 3ag1 h SER 80 Ca 0.21 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.70 3ag1 h SER 80 Cb 0.29 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3ag1 h SER 80 CO -0.01 -0.21 -0.69 -0.07 -0.53 0.00 0.00 176.83 175.32 3ag1 h LEU 81 N -0.19 0.30 -0.72 2.23 3.38 -0.87 -1.16 115.31 118.27 3ag1 h LEU 81 Ca 0.11 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3ag1 h LEU 81 Cb 0.36 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3ag1 h LEU 81 CO -0.29 0.90 0.33 -0.09 0.09 0.00 0.00 178.44 179.38 3ag1 h ARG 82 N 0.17 0.52 -0.20 1.13 2.43 -1.04 -1.75 114.38 115.64 3ag1 h ARG 82 Ca -0.02 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 3ag1 h ARG 82 Cb 1.24 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3ag1 h ARG 82 CO 0.11 0.34 -0.68 0.82 -1.51 0.00 0.00 179.97 179.05 3ag1 h ILE 83 N 0.53 1.28 -0.37 1.20 2.04 -0.69 -2.32 117.51 119.19 3ag1 h ILE 83 Ca 0.37 -1.88 0.08 0.00 1.00 0.00 0.00 64.86 64.43 3ag1 h ILE 83 Cb 0.47 1.84 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 3ag1 h ILE 83 CO -0.32 0.60 -0.16 0.25 0.00 0.00 0.00 178.15 178.52 3ag1 h LEU 84 N 0.58 -0.54 -0.36 1.44 5.85 -0.94 0.23 115.31 121.56 3ag1 h LEU 84 Ca -0.02 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 3ag1 h LEU 84 Cb 1.30 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3ag1 h LEU 84 CO 0.14 -0.19 -0.37 1.88 -0.34 0.00 0.00 178.44 179.56 3ag1 h TYR 85 N -0.09 1.06 -0.85 1.25 -1.99 -1.29 -2.71 116.97 112.35 3ag1 h TYR 85 Ca 0.18 -0.32 0.07 0.00 2.00 0.00 0.00 58.73 60.67 3ag1 h TYR 85 Cb 0.37 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 38.81 3ag1 h TYR 85 CO -0.39 1.13 0.52 1.98 -0.00 0.00 0.00 178.16 181.40 3ag1 h MET 86 N 0.69 0.89 0.00 4.88 4.05 -1.03 0.18 114.93 124.58 3ag1 h MET 86 Ca 0.06 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ag1 h MET 86 Cb 0.96 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 3ag1 h MET 86 CO 0.09 0.59 0.00 0.52 0.23 0.00 0.00 176.91 178.34 3ag1 h MET 87 N 0.91 0.00 0.00 0.39 2.86 -0.26 -2.14 114.93 116.70 3ag1 h MET 87 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 3ag1 h MET 87 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3ag1 h MET 87 CO -0.20 0.00 -1.28 -3.47 1.06 0.00 0.00 176.91 173.02 3ag1 n ASP 88 N -2.34 0.75 -4.70 1.22 -0.08 0.48 -4.87 116.55 107.00 3ag1 n ASP 88 Ca -0.00 -0.60 -0.39 0.00 -1.51 0.00 0.00 54.79 52.29 3ag1 n ASP 88 Cb 0.11 1.34 0.04 0.00 2.34 0.00 0.00 41.12 44.94 3ag1 n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ag1 n GLU 89 N -1.72 1.59 -1.77 -0.67 1.02 -0.29 -4.91 120.64 113.89 3ag1 n GLU 89 Ca 0.01 0.58 -0.41 0.00 -0.02 0.00 0.00 57.16 57.33 3ag1 n GLU 89 Cb 0.38 -2.43 0.01 0.00 -0.02 0.00 0.00 31.44 29.37 3ag1 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ag1 n ILE 90 N -0.94 2.37 0.00 -3.67 5.41 -1.26 -4.95 119.36 116.32 3ag1 n ILE 90 Ca 0.10 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.35 3ag1 n ILE 90 Cb 0.44 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 3ag1 n ILE 90 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ag1 n ASN 91 N 0.17 4.11 -2.76 4.38 3.02 -1.26 -5.08 115.26 117.84 3ag1 n ASN 91 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 3ag1 n ASN 91 Cb 0.40 0.38 0.02 0.00 -0.61 0.00 0.00 39.78 39.97 3ag1 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ag1 n ASN 92 N -1.81 -4.18 -4.77 6.41 3.02 -1.26 -4.96 115.26 107.70 3ag1 n ASN 92 Ca 0.00 -0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.15 3ag1 n ASN 92 Cb 0.42 -1.16 -0.00 0.00 -0.61 0.00 0.00 39.78 38.42 3ag1 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag1 s PRO 93 N -1.56 3.62 0.02 3.52 0.04 -1.26 -4.84 135.00 134.54 3ag1 s PRO 93 Ca 0.22 1.77 0.24 0.00 0.04 0.00 0.00 61.00 63.28 3ag1 s PRO 93 Cb -0.02 -2.31 0.40 0.00 0.04 0.00 0.00 34.50 32.61 3ag1 s PRO 93 CO 0.50 -0.67 1.33 -1.13 0.04 0.00 0.00 177.00 177.08 3ag1 n SER 94 N -0.71 0.57 -3.73 6.66 3.41 -0.56 -4.94 113.62 114.31 3ag1 n SER 94 Ca 0.08 -0.26 -0.14 0.00 -0.26 0.00 0.00 58.87 58.30 3ag1 n SER 94 Cb 0.48 0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 3ag1 n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ag1 s LEU 95 N -3.20 0.56 -0.13 1.04 2.96 -1.25 -5.07 118.68 113.58 3ag1 s LEU 95 Ca 0.10 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 3ag1 s LEU 95 Cb 0.17 1.42 0.00 0.00 0.50 0.00 0.00 46.19 48.28 3ag1 s LEU 95 CO 0.72 -0.33 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.34 3ag1 s THR 96 N -0.65 2.32 -0.02 3.68 2.01 -1.26 -1.11 115.64 120.60 3ag1 s THR 96 Ca -0.08 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.09 3ag1 s THR 96 Cb -0.04 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3ag1 s THR 96 CO 0.03 0.54 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 3ag1 s VAL 97 N 0.65 1.85 -0.05 3.82 1.01 -0.40 -4.31 120.40 122.98 3ag1 s VAL 97 Ca -0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 3ag1 s VAL 97 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3ag1 s VAL 97 CO 0.02 0.52 0.01 -0.54 0.00 0.00 0.00 175.10 175.12 3ag1 s LYS 98 N -0.48 2.93 0.13 2.72 1.02 -0.01 -1.20 119.74 124.84 3ag1 s LYS 98 Ca 0.07 -0.49 0.11 0.00 0.02 0.00 0.00 55.97 55.68 3ag1 s LYS 98 Cb -0.10 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3ag1 s LYS 98 CO -0.00 0.67 -0.26 -0.08 -0.92 0.00 0.00 175.35 174.76 3ag1 s THR 99 N -1.00 2.17 -0.06 2.17 -1.32 0.56 -1.15 115.64 117.01 3ag1 s THR 99 Ca 0.17 -1.73 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 3ag1 s THR 99 Cb -0.11 -1.93 0.02 0.00 -1.51 0.00 0.00 72.50 68.96 3ag1 s THR 99 CO 0.07 0.06 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.40 3ag1 s MET 100 N -2.05 1.36 0.46 7.08 -1.94 0.12 -2.19 119.30 122.13 3ag1 s MET 100 Ca 0.13 -0.28 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 3ag1 s MET 100 Cb -0.10 -1.21 -0.07 0.00 2.01 0.00 0.00 34.83 35.46 3ag1 s MET 100 CO 0.06 -0.04 0.87 0.20 -0.01 0.00 0.00 175.02 176.10 3ag1 s GLY 101 N 0.85 2.00 0.02 -0.03 0.00 0.16 -1.52 107.32 108.81 3ag1 s GLY 101 Ca -0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 3ag1 s GLY 101 CO 0.01 0.20 0.23 0.30 0.00 0.00 0.00 173.10 173.84 3ag1 s HIS 102 N -2.49 -0.02 -0.41 1.90 3.76 -0.78 -1.26 115.29 115.98 3ag1 s HIS 102 Ca 0.55 -0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 55.08 3ag1 s HIS 102 Cb -0.10 0.01 -0.00 0.00 1.11 0.00 0.00 32.58 33.60 3ag1 s HIS 102 CO 0.32 -0.40 1.61 -0.65 -0.85 0.00 0.00 174.74 174.76 3ag1 s GLN 103 N -2.05 3.36 -0.45 1.40 -0.21 -1.26 -0.67 119.66 119.78 3ag1 s GLN 103 Ca -0.09 1.05 0.03 0.00 0.02 0.00 0.00 55.36 56.37 3ag1 s GLN 103 Cb -0.03 -4.14 0.15 0.00 1.00 0.00 0.00 33.01 29.99 3ag1 s GLN 103 CO -0.01 -1.83 0.31 -1.58 -2.12 0.00 0.00 175.29 170.06 3ag1 s TRP 104 N 6.41 1.68 0.07 0.91 0.51 -1.26 -5.12 118.94 122.14 3ag1 s TRP 104 Ca 0.68 -2.38 -0.28 0.00 -2.12 0.00 0.00 56.10 52.01 3ag1 s TRP 104 Cb -0.17 -1.49 0.09 0.00 -0.81 0.00 0.00 33.47 31.09 3ag1 s TRP 104 CO 0.31 -0.77 1.10 1.52 -0.51 0.00 0.00 176.95 178.60 3ag1 s TYR 105 N 0.11 -0.10 0.07 -1.98 1.13 0.15 -4.68 117.35 112.05 3ag1 s TYR 105 Ca 0.24 -0.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.83 3ag1 s TYR 105 Cb -0.11 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3ag1 s TYR 105 CO -0.09 -0.58 -0.02 -1.58 -2.51 0.00 0.00 175.55 170.76 3ag1 s TRP 106 N -2.91 2.95 0.25 -3.49 0.52 -0.99 -1.86 118.94 113.41 3ag1 s TRP 106 Ca 0.13 -0.03 0.10 0.00 0.02 0.00 0.00 56.10 56.31 3ag1 s TRP 106 Cb 0.01 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 3ag1 s TRP 106 CO -0.01 0.45 -0.09 -1.54 0.02 0.00 0.00 176.95 175.78 3ag1 s SER 107 N -2.08 4.14 0.10 2.95 1.04 -0.57 0.35 113.70 119.63 3ag1 s SER 107 Ca 0.23 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.97 3ag1 s SER 107 Cb -0.11 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 3ag1 s SER 107 CO 0.15 0.04 -0.16 -0.31 0.98 0.00 0.00 173.24 173.95 3ag1 s TYR 108 N -2.19 1.44 -0.05 5.02 2.02 -0.60 0.13 117.35 123.11 3ag1 s TYR 108 Ca 0.29 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.48 3ag1 s TYR 108 Cb -0.07 -0.78 0.04 0.00 -0.40 0.00 0.00 41.96 40.75 3ag1 s TYR 108 CO 0.17 0.14 0.09 -1.21 -1.57 0.00 0.00 175.55 173.17 3ag1 s GLU 109 N -2.21 -0.01 -0.27 -0.62 2.02 -0.30 -2.09 118.70 115.21 3ag1 s GLU 109 Ca 0.05 0.37 -0.00 0.00 0.02 0.00 0.00 54.97 55.41 3ag1 s GLU 109 Cb -0.08 -0.33 0.05 0.00 0.10 0.00 0.00 34.13 33.87 3ag1 s GLU 109 CO 0.03 -0.25 -0.06 0.71 0.02 0.00 0.00 175.26 175.71 3ag1 s TYR 110 N 1.74 3.20 -0.05 1.61 4.12 0.40 -0.83 117.35 127.53 3ag1 s TYR 110 Ca -0.02 -1.92 0.19 0.00 0.02 0.00 0.00 57.07 55.34 3ag1 s TYR 110 Cb -0.12 -2.03 0.36 0.00 -1.52 0.00 0.00 41.96 38.64 3ag1 s TYR 110 CO -0.04 -0.81 1.16 0.25 0.02 0.00 0.00 175.55 176.13 3ag1 n THR 111 N 4.58 0.60 -0.12 -0.71 -2.24 -1.26 -2.28 114.28 112.85 3ag1 n THR 111 Ca -0.15 -1.44 -0.06 0.00 -2.27 0.00 0.00 64.05 60.14 3ag1 n THR 111 Cb 0.44 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3ag1 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag1 h ASP 112 N 0.80 0.14 0.00 3.42 3.32 -1.94 -3.43 116.42 118.74 3ag1 h ASP 112 Ca -0.13 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ag1 h ASP 112 Cb 1.58 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.16 3ag1 h ASP 112 CO 0.06 0.12 -0.18 -1.22 -1.72 0.00 0.00 179.24 176.29 3ag1 n TYR 113 N -5.01 -0.85 -1.55 4.55 4.01 -1.26 -5.10 117.16 111.94 3ag1 n TYR 113 Ca 0.02 0.15 -0.29 0.00 -0.16 0.00 0.00 57.90 57.62 3ag1 n TYR 113 Cb 0.14 0.28 0.14 0.00 -0.31 0.00 0.00 39.34 39.60 3ag1 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag1 s GLU 114 N -2.00 0.97 -0.82 -0.72 0.41 -1.26 -4.99 118.70 110.29 3ag1 s GLU 114 Ca 0.00 0.20 0.02 0.00 -0.41 0.00 0.00 54.97 54.78 3ag1 s GLU 114 Cb 0.00 -1.83 0.27 0.00 -1.78 0.00 0.00 34.13 30.79 3ag1 s GLU 114 CO 0.00 -2.30 1.01 -0.25 -0.49 0.00 0.00 175.26 173.24 3ag1 n ASP 115 N -3.82 4.75 -4.65 -0.19 10.43 -1.26 -4.26 116.55 117.56 3ag1 n ASP 115 Ca 0.08 -3.41 -0.41 0.00 2.57 0.00 0.00 54.79 53.62 3ag1 n ASP 115 Cb 0.59 -0.92 -0.05 0.00 1.84 0.00 0.00 41.12 42.58 3ag1 n ASP 115 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ag1 s LEU 116 N -2.49 4.13 -0.01 0.64 2.96 -0.97 -5.00 118.68 117.95 3ag1 s LEU 116 Ca 0.35 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 54.99 3ag1 s LEU 116 Cb 0.09 -2.99 0.03 0.00 0.50 0.00 0.00 46.19 43.83 3ag1 s LEU 116 CO 0.02 -0.34 0.38 -0.94 -1.32 0.00 0.00 176.35 174.14 3ag1 s SER 117 N 1.25 -0.26 0.18 3.68 1.04 -1.26 -0.45 113.70 117.88 3ag1 s SER 117 Ca 0.31 0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.66 3ag1 s SER 117 Cb -0.16 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.38 3ag1 s SER 117 CO 0.10 -0.52 0.59 0.72 0.98 0.00 0.00 173.24 175.11 3ag1 s PHE 118 N -1.60 -0.42 0.33 5.02 -0.12 -0.89 -5.00 117.98 115.31 3ag1 s PHE 118 Ca -0.11 0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 3ag1 s PHE 118 Cb -0.03 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3ag1 s PHE 118 CO 0.03 -0.90 0.51 -0.51 -0.05 0.00 0.00 175.22 174.31 3ag1 s ASP 119 N -2.79 6.30 -0.25 1.98 1.01 -1.26 -1.56 116.67 120.10 3ag1 s ASP 119 Ca 0.03 0.38 -0.03 0.00 0.71 0.00 0.00 52.55 53.65 3ag1 s ASP 119 Cb -0.01 -2.00 0.08 0.00 1.01 0.00 0.00 42.92 41.99 3ag1 s ASP 119 CO -0.09 -0.25 0.08 -0.55 0.21 0.00 0.00 175.17 174.57 3ag1 s SER 120 N -4.02 3.30 0.02 0.27 0.15 0.16 -4.51 113.70 109.06 3ag1 s SER 120 Ca 0.39 -1.13 0.04 0.00 0.70 0.00 0.00 55.95 55.94 3ag1 s SER 120 Cb -0.09 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 3ag1 s SER 120 CO 0.35 -0.37 -0.06 -0.31 1.20 0.00 0.00 173.24 174.05 3ag1 s TYR 121 N 1.89 2.90 0.45 3.44 2.02 -1.26 -2.33 117.35 124.46 3ag1 s TYR 121 Ca 0.05 -0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.46 3ag1 s TYR 121 Cb -0.17 -1.59 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 3ag1 s TYR 121 CO -0.20 0.40 1.41 1.41 -1.57 0.00 0.00 175.55 177.00 3ag1 s MET 122 N -1.59 3.69 -0.01 -0.62 -2.45 -1.26 -0.25 119.30 116.81 3ag1 s MET 122 Ca 0.19 2.38 -0.30 0.00 -1.25 0.00 0.00 55.69 56.70 3ag1 s MET 122 Cb -0.11 -2.64 -0.04 0.00 1.25 0.00 0.00 34.83 33.29 3ag1 s MET 122 CO 0.09 -0.80 1.16 0.42 1.05 0.00 0.00 175.02 176.94 3ag1 s ILE 123 N -1.22 4.30 0.62 10.11 -1.09 0.62 -4.75 121.20 129.79 3ag1 s ILE 123 Ca 0.61 1.63 -0.18 0.00 -2.23 0.00 0.00 60.65 60.49 3ag1 s ILE 123 Cb -0.43 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.38 3ag1 s ILE 123 CO 0.55 0.06 1.19 -2.84 -1.23 0.00 0.00 174.94 172.67 3ag1 s PRO 124 N 1.68 2.86 0.19 2.79 0.02 -1.26 -4.66 135.00 136.61 3ag1 s PRO 124 Ca 0.56 1.76 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 3ag1 s PRO 124 Cb -0.25 -1.92 0.11 0.00 0.02 0.00 0.00 34.50 32.46 3ag1 s PRO 124 CO 0.25 -1.28 1.78 1.15 -0.33 0.00 0.00 177.00 178.56 3ag1 h THR 125 N 0.64 1.23 0.00 0.99 2.02 -1.98 0.13 112.91 115.94 3ag1 h THR 125 Ca -0.50 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3ag1 h THR 125 Cb 1.29 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3ag1 h THR 125 CO 0.54 0.27 0.05 -1.54 0.37 0.00 0.00 175.52 175.22 3ag1 n SER 126 N -4.45 0.51 -0.23 4.18 3.41 -1.26 -2.83 113.62 112.95 3ag1 n SER 126 Ca 0.05 0.72 0.04 0.00 -0.26 0.00 0.00 58.87 59.42 3ag1 n SER 126 Cb 0.13 -0.77 0.08 0.00 -0.26 0.00 0.00 64.21 63.40 3ag1 n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag1 n GLU 127 N -2.21 2.62 -2.61 4.33 1.02 0.44 -5.02 120.64 119.20 3ag1 n GLU 127 Ca -0.01 -1.95 -0.38 0.00 -0.02 0.00 0.00 57.16 54.79 3ag1 n GLU 127 Cb 0.09 -1.23 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 3ag1 n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ag1 s LEU 128 N -1.54 4.39 0.40 -4.62 1.43 -1.13 -4.89 118.68 112.72 3ag1 s LEU 128 Ca 0.15 2.04 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 3ag1 s LEU 128 Cb 0.11 -3.89 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 3ag1 s LEU 128 CO 0.05 -0.18 0.87 -0.54 0.23 0.00 0.00 176.35 176.78 3ag1 s LYS 129 N -1.87 4.11 0.43 1.70 1.02 -1.26 -4.98 119.74 118.89 3ag1 s LYS 129 Ca 0.49 0.92 -0.26 0.00 0.02 0.00 0.00 55.97 57.14 3ag1 s LYS 129 Cb -0.25 -2.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 3ag1 s LYS 129 CO 0.31 0.02 1.42 -2.14 -0.92 0.00 0.00 175.35 174.04 3ag1 s PRO 130 N -3.21 3.80 0.00 -1.68 0.02 -1.26 -1.26 135.00 131.41 3ag1 s PRO 130 Ca 0.59 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.01 3ag1 s PRO 130 Cb -0.10 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.70 3ag1 s PRO 130 CO 0.17 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 3ag1 n GLY 131 N 0.58 3.22 3.78 0.52 0.00 -1.26 -5.06 105.19 106.97 3ag1 n GLY 131 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ag1 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag1 s GLU 132 N -0.52 4.33 -0.25 1.61 2.02 -0.39 -5.00 118.70 120.49 3ag1 s GLU 132 Ca 0.00 1.46 -0.25 0.00 0.02 0.00 0.00 54.97 56.21 3ag1 s GLU 132 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 3ag1 s GLU 132 CO 0.00 0.01 0.84 -0.51 0.02 0.00 0.00 175.26 175.62 3ag1 s LEU 133 N -2.40 4.08 0.21 1.80 1.43 -1.26 -4.89 118.68 117.65 3ag1 s LEU 133 Ca 0.55 1.00 -0.32 0.00 -1.03 0.00 0.00 54.13 54.32 3ag1 s LEU 133 Cb -0.21 -3.20 -0.14 0.00 0.03 0.00 0.00 46.19 42.67 3ag1 s LEU 133 CO 0.27 -0.55 1.39 -1.14 0.23 0.00 0.00 176.35 176.55 3ag1 n ARG 134 N 6.08 1.87 -0.25 1.70 0.63 -1.26 -2.69 116.66 122.75 3ag1 n ARG 134 Ca 0.06 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3ag1 n ARG 134 Cb 0.47 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.07 3ag1 n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ag1 n LEU 135 N 2.33 0.14 -0.01 6.15 4.77 -1.26 -4.82 117.00 124.30 3ag1 n LEU 135 Ca 0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 3ag1 n LEU 135 Cb 0.29 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3ag1 n LEU 135 CO 0.62 -0.07 -0.65 0.18 -1.33 0.00 0.00 177.39 176.15 3ag1 n LEU 136 N 0.00 0.00 -4.82 2.23 4.77 -1.10 -4.61 117.00 113.48 3ag1 n LEU 136 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3ag1 n LEU 136 Cb 0.00 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3ag1 n LEU 136 CO 0.00 0.03 0.41 -1.61 -1.33 0.00 0.00 177.39 174.89 3ag1 s GLU 137 N -2.65 4.24 0.30 3.23 0.41 -1.24 -4.63 118.70 118.35 3ag1 s GLU 137 Ca -0.04 0.85 0.10 0.00 -0.41 0.00 0.00 54.97 55.47 3ag1 s GLU 137 Cb 0.06 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.48 3ag1 s GLU 137 CO 0.42 0.40 -0.10 0.14 -0.49 0.00 0.00 175.26 175.63 3ag1 s VAL 138 N -1.53 2.68 0.01 2.63 -7.23 -1.26 -0.27 120.40 115.42 3ag1 s VAL 138 Ca 0.43 -2.18 -0.25 0.00 -1.81 0.00 0.00 61.98 58.17 3ag1 s VAL 138 Cb -0.16 -2.58 -0.16 0.00 0.56 0.00 0.00 36.38 34.03 3ag1 s VAL 138 CO 0.21 -0.32 1.22 -2.24 -0.31 0.00 0.00 175.10 173.66 3ag1 h ASP 139 N 2.05 -0.36 -3.62 4.85 -0.00 -0.91 -3.42 116.42 115.01 3ag1 h ASP 139 Ca -0.42 -0.17 -0.70 0.00 -0.00 0.00 0.00 57.03 55.74 3ag1 h ASP 139 Cb 1.25 0.09 -0.26 0.00 -0.00 0.00 0.00 39.33 40.41 3ag1 h ASP 139 CO 0.63 0.01 -0.55 0.20 -0.00 0.00 0.00 179.24 179.53 3ag1 s ASN 140 N -5.07 5.56 0.54 4.15 0.01 -1.26 -5.03 114.94 113.83 3ag1 s ASN 140 Ca -0.14 -1.09 -0.20 0.00 -0.71 0.00 0.00 52.86 50.73 3ag1 s ASN 140 Cb 0.02 -1.96 -0.06 0.00 0.41 0.00 0.00 41.25 39.66 3ag1 s ASN 140 CO 0.54 -0.37 1.12 -0.13 -1.51 0.00 0.00 177.10 176.74 3ag1 s ARG 141 N 1.48 3.41 -0.63 -0.60 0.52 -1.26 -4.67 118.95 117.20 3ag1 s ARG 141 Ca 0.00 1.57 -0.27 0.00 -0.52 0.00 0.00 55.73 56.52 3ag1 s ARG 141 Cb -0.19 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.29 3ag1 s ARG 141 CO 0.05 -0.79 1.17 0.08 0.02 0.00 0.00 175.30 175.83 3ag1 s VAL 142 N -1.81 3.99 -0.12 3.52 1.01 0.38 -4.85 120.40 122.53 3ag1 s VAL 142 Ca 0.72 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.08 3ag1 s VAL 142 Cb -0.23 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 3ag1 s VAL 142 CO 0.26 -1.47 0.70 -0.69 0.00 0.00 0.00 175.10 173.90 3ag1 s VAL 143 N 5.01 5.01 0.02 2.92 1.01 -1.26 0.68 120.40 133.79 3ag1 s VAL 143 Ca 0.38 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 3ag1 s VAL 143 Cb -0.09 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3ag1 s VAL 143 CO 0.21 0.18 -0.01 -0.76 0.00 0.00 0.00 175.10 174.71 3ag1 s LEU 144 N 1.32 2.16 0.05 3.92 1.43 0.05 -4.94 118.68 122.68 3ag1 s LEU 144 Ca 0.35 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 3ag1 s LEU 144 Cb -0.17 0.16 -0.07 0.00 0.03 0.00 0.00 46.19 46.14 3ag1 s LEU 144 CO 0.15 -0.30 1.46 -2.16 0.23 0.00 0.00 176.35 175.73 3ag1 s PRO 145 N -1.41 4.27 0.78 1.29 0.04 -1.26 -0.98 135.00 137.73 3ag1 s PRO 145 Ca -0.15 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 3ag1 s PRO 145 Cb -0.09 -3.47 0.06 0.00 0.04 0.00 0.00 34.50 31.04 3ag1 s PRO 145 CO -0.01 -0.57 1.10 0.00 0.04 0.00 0.00 177.00 177.56 3ag1 s MET 146 N 2.03 2.18 -2.03 4.56 0.23 0.58 -3.86 119.30 122.99 3ag1 s MET 146 Ca 0.67 1.21 0.00 0.00 -1.03 0.00 0.00 55.69 56.54 3ag1 s MET 146 Cb -0.35 -1.89 0.00 0.00 -1.53 0.00 0.00 34.83 31.06 3ag1 s MET 146 CO 0.29 -1.70 0.00 0.39 -2.03 0.00 0.00 175.02 171.97 3ag1 n GLU 147 N -3.52 -1.54 -4.21 3.16 1.02 -0.09 -4.76 120.64 110.70 3ag1 n GLU 147 Ca 0.09 1.14 -0.20 0.00 -0.02 0.00 0.00 57.16 58.18 3ag1 n GLU 147 Cb 0.53 -5.64 -0.12 0.00 -0.02 0.00 0.00 31.44 26.19 3ag1 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag1 s MET 148 N -4.30 0.89 -0.32 3.49 -1.94 -1.25 -5.00 119.30 110.87 3ag1 s MET 148 Ca 0.00 -0.98 -0.29 0.00 -1.71 0.00 0.00 55.69 52.71 3ag1 s MET 148 Cb 0.00 -0.95 0.01 0.00 2.01 0.00 0.00 34.83 35.90 3ag1 s MET 148 CO 0.00 0.21 1.26 0.99 -0.01 0.00 0.00 175.02 177.47 3ag1 s THR 149 N -1.22 4.20 -0.12 2.05 2.01 -1.26 -4.36 115.64 116.94 3ag1 s THR 149 Ca -0.00 1.35 -0.04 0.00 0.31 0.00 0.00 61.69 63.31 3ag1 s THR 149 Cb -0.10 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 3ag1 s THR 149 CO 0.03 -0.52 0.02 -0.63 -0.69 0.00 0.00 174.62 172.82 3ag1 s ILE 150 N 4.30 4.42 -0.31 1.82 1.01 0.24 -1.50 121.20 131.19 3ag1 s ILE 150 Ca 0.54 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 3ag1 s ILE 150 Cb -0.15 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 3ag1 s ILE 150 CO 0.23 0.55 0.69 -0.60 0.00 0.00 0.00 174.94 175.81 3ag1 s ARG 151 N -0.35 3.92 -0.11 2.79 3.52 -0.27 -0.98 118.95 127.46 3ag1 s ARG 151 Ca 0.07 0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 3ag1 s ARG 151 Cb -0.12 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 3ag1 s ARG 151 CO 0.02 -0.62 0.36 -1.64 -0.81 0.00 0.00 175.30 172.61 3ag1 s MET 152 N 2.75 4.16 -0.11 5.12 -1.94 -0.18 -1.27 119.30 127.83 3ag1 s MET 152 Ca 0.28 0.25 0.01 0.00 -1.71 0.00 0.00 55.69 54.52 3ag1 s MET 152 Cb -0.15 -3.37 -0.01 0.00 2.01 0.00 0.00 34.83 33.31 3ag1 s MET 152 CO 0.12 0.34 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.80 3ag1 s LEU 153 N 0.10 2.53 -0.07 -0.03 1.43 -0.34 -1.33 118.68 120.98 3ag1 s LEU 153 Ca 0.21 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3ag1 s LEU 153 Cb -0.14 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3ag1 s LEU 153 CO 0.08 0.18 -0.24 -0.69 0.23 0.00 0.00 176.35 175.91 3ag1 s VAL 154 N 0.25 2.01 0.00 -1.59 1.01 0.11 -0.32 120.40 121.86 3ag1 s VAL 154 Ca -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3ag1 s VAL 154 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3ag1 s VAL 154 CO 0.06 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.48 3ag1 n SER 155 N 3.11 0.00 -3.78 3.32 2.88 -0.93 -1.16 113.62 117.07 3ag1 n SER 155 Ca -0.18 -0.99 -0.11 0.00 -1.33 0.00 0.00 58.87 56.26 3ag1 n SER 155 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 3ag1 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag1 s SER 156 N -0.97 -0.09 0.00 -3.46 0.15 -1.25 -0.66 113.70 107.42 3ag1 s SER 156 Ca 0.00 -0.24 0.13 0.00 0.70 0.00 0.00 55.95 56.54 3ag1 s SER 156 Cb 0.00 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 3ag1 s SER 156 CO 0.00 -0.61 0.67 -0.62 1.20 0.00 0.00 173.24 173.89 3ag1 n GLU 157 N 0.59 2.22 0.00 5.44 1.02 -0.39 -3.95 120.64 125.57 3ag1 n GLU 157 Ca -0.19 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 3ag1 n GLU 157 Cb 0.59 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 3ag1 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag1 n ASP 158 N -0.56 0.00 -3.89 1.62 5.68 -1.26 -5.03 116.55 113.10 3ag1 n ASP 158 Ca 0.04 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.17 3ag1 n ASP 158 Cb 0.25 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 3ag1 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag1 n VAL 159 N -0.60 0.00 -2.60 2.12 0.24 -1.26 -4.74 118.33 111.49 3ag1 n VAL 159 Ca 0.00 -1.42 -0.37 0.00 -2.04 0.00 0.00 64.34 60.51 3ag1 n VAL 159 Cb 0.00 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.04 3ag1 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag1 s LEU 160 N 0.00 4.29 0.41 1.34 1.43 -1.26 -4.61 118.68 120.28 3ag1 s LEU 160 Ca 0.24 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 3ag1 s LEU 160 Cb -0.02 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 3ag1 s LEU 160 CO 0.15 -0.29 0.17 -1.00 0.23 0.00 0.00 176.35 175.62 3ag1 s HIS 161 N -1.53 1.78 -0.11 0.29 3.76 -0.93 -4.36 115.29 114.20 3ag1 s HIS 161 Ca 0.52 -1.41 -0.05 0.00 -0.15 0.00 0.00 55.06 53.97 3ag1 s HIS 161 Cb -0.23 -1.06 0.05 0.00 1.11 0.00 0.00 32.58 32.45 3ag1 s HIS 161 CO 0.29 -0.46 0.25 0.45 -0.85 0.00 0.00 174.74 174.42 3ag1 s SER 162 N -3.58 -0.21 -0.34 1.40 0.15 -1.26 -0.80 113.70 109.05 3ag1 s SER 162 Ca 0.26 0.53 -0.20 0.00 0.70 0.00 0.00 55.95 57.23 3ag1 s SER 162 Cb 0.02 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3ag1 s SER 162 CO 0.18 -0.17 0.64 0.86 1.20 0.00 0.00 173.24 175.94 3ag1 s TRP 163 N 1.37 3.16 -0.02 3.44 -0.00 -0.30 -0.93 118.94 125.66 3ag1 s TRP 163 Ca -0.08 0.40 0.03 0.00 -0.00 0.00 0.00 56.10 56.44 3ag1 s TRP 163 Cb -0.11 -3.11 -0.00 0.00 -0.00 0.00 0.00 33.47 30.26 3ag1 s TRP 163 CO -0.09 -0.59 -0.10 0.00 -0.00 0.00 0.00 176.95 176.17 3ag1 s ALA 164 N 2.69 0.87 -0.37 5.86 0.00 -1.26 -1.34 121.76 128.21 3ag1 s ALA 164 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3ag1 s ALA 164 Cb -0.15 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.82 3ag1 s ALA 164 CO 0.14 0.16 0.21 0.08 0.00 0.00 0.00 175.76 176.35 3ag1 s VAL 165 N 0.06 0.47 0.22 0.00 1.01 -0.68 -3.32 120.40 118.14 3ag1 s VAL 165 Ca -0.01 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.00 3ag1 s VAL 165 Cb -0.07 -1.34 0.25 0.00 0.00 0.00 0.00 36.38 35.22 3ag1 s VAL 165 CO 0.00 -0.94 1.62 -0.65 0.00 0.00 0.00 175.10 175.13 3ag1 h PRO 166 N 7.08 -0.01 -0.13 2.72 0.11 -1.76 -1.84 132.00 138.18 3ag1 h PRO 166 Ca 0.02 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.17 3ag1 h PRO 166 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3ag1 h PRO 166 CO 0.34 -0.01 0.12 0.66 -0.21 0.00 0.00 178.00 178.90 3ag1 h SER 167 N -0.01 0.00 0.08 -2.05 4.64 -1.85 0.11 113.55 114.47 3ag1 h SER 167 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3ag1 h SER 167 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ag1 h SER 167 CO -0.69 0.00 -0.44 0.18 -0.87 0.00 0.00 176.83 175.00 3ag1 n LEU 168 N -4.03 1.60 -2.25 5.97 4.77 -0.72 0.15 117.00 122.50 3ag1 n LEU 168 Ca 0.00 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.31 3ag1 n LEU 168 Cb 0.24 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3ag1 n LEU 168 CO 0.30 0.30 0.09 0.61 -1.33 0.00 0.00 177.39 177.36 3ag1 n GLY 169 N 1.40 0.07 3.23 -0.72 0.00 0.38 -4.28 105.19 105.26 3ag1 n GLY 169 Ca 0.10 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 3ag1 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 170 N -4.36 2.02 -0.30 0.99 1.43 -1.08 -4.89 118.68 112.49 3ag1 s LEU 170 Ca 0.12 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3ag1 s LEU 170 Cb -0.05 -1.15 0.19 0.00 0.03 0.00 0.00 46.19 45.20 3ag1 s LEU 170 CO 0.39 0.24 0.76 -0.75 0.23 0.00 0.00 176.35 177.23 3ag1 s LYS 171 N -0.32 0.43 -0.11 1.70 2.20 -1.26 -1.69 119.74 120.69 3ag1 s LYS 171 Ca 0.03 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 3ag1 s LYS 171 Cb -0.10 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 3ag1 s LYS 171 CO 0.01 -0.49 -0.15 0.99 -0.36 0.00 0.00 175.35 175.36 3ag1 s THR 172 N 2.89 1.47 0.52 3.43 2.01 -0.45 -4.99 115.64 120.53 3ag1 s THR 172 Ca 0.13 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 3ag1 s THR 172 Cb -0.13 -1.36 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 3ag1 s THR 172 CO -0.18 0.44 1.32 -1.81 -0.69 0.00 0.00 174.62 173.70 3ag1 s ASP 173 N 1.09 5.52 -0.33 3.53 1.11 -1.26 -1.15 116.67 125.18 3ag1 s ASP 173 Ca -0.05 2.68 -0.05 0.00 0.18 0.00 0.00 52.55 55.31 3ag1 s ASP 173 Cb -0.14 -2.63 0.04 0.00 1.07 0.00 0.00 42.92 41.26 3ag1 s ASP 173 CO -0.03 -1.40 0.07 0.00 1.18 0.00 0.00 175.17 175.00 3ag1 s ALA 174 N -1.35 2.97 -0.10 5.23 0.00 0.02 -4.75 121.76 123.79 3ag1 s ALA 174 Ca 0.69 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3ag1 s ALA 174 Cb -0.38 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3ag1 s ALA 174 CO 0.46 -1.32 -0.13 0.42 0.00 0.00 0.00 175.76 175.19 3ag1 s ILE 175 N 1.36 1.32 0.42 0.00 1.01 -1.26 -2.19 121.20 121.85 3ag1 s ILE 175 Ca -0.03 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 3ag1 s ILE 175 Cb -0.20 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 3ag1 s ILE 175 CO 0.02 0.40 1.46 -0.81 0.00 0.00 0.00 174.94 176.02 3ag1 n PRO 176 N 4.26 2.47 -0.94 2.79 -0.04 -1.25 -1.79 135.00 140.50 3ag1 n PRO 176 Ca -0.19 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 3ag1 n PRO 176 Cb 0.51 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3ag1 n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ag1 n GLY 177 N 0.51 0.64 3.12 0.55 0.00 -1.26 -4.96 105.19 103.78 3ag1 n GLY 177 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3ag1 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag1 s ARG 178 N -0.29 1.06 -0.37 1.61 3.52 -0.74 -5.11 118.95 118.63 3ag1 s ARG 178 Ca 0.00 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 54.99 3ag1 s ARG 178 Cb 0.00 -1.04 0.08 0.00 -1.56 0.00 0.00 34.95 32.44 3ag1 s ARG 178 CO 0.00 0.28 0.14 -1.17 -0.81 0.00 0.00 175.30 173.74 3ag1 s LEU 179 N -0.57 4.79 -0.08 -0.88 2.96 -1.26 -4.41 118.68 119.22 3ag1 s LEU 179 Ca 0.04 -1.70 -0.19 0.00 -0.22 0.00 0.00 54.13 52.06 3ag1 s LEU 179 Cb -0.06 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3ag1 s LEU 179 CO 0.00 -0.44 0.51 0.20 -1.32 0.00 0.00 176.35 175.29 3ag1 s ASN 180 N 1.64 6.77 -0.10 3.68 0.01 -0.31 -4.89 114.94 121.76 3ag1 s ASN 180 Ca 0.03 0.92 -0.01 0.00 -0.71 0.00 0.00 52.86 53.10 3ag1 s ASN 180 Cb -0.22 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3ag1 s ASN 180 CO -0.02 0.04 -0.06 -1.58 -1.51 0.00 0.00 177.10 173.98 3ag1 s GLN 181 N 0.31 3.06 0.24 -0.60 0.74 -1.26 0.07 119.66 122.21 3ag1 s GLN 181 Ca 0.28 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.17 3ag1 s GLN 181 Cb -0.16 -2.70 -0.05 0.00 1.10 0.00 0.00 33.01 31.20 3ag1 s GLN 181 CO 0.12 0.53 0.05 -0.08 -0.55 0.00 0.00 175.29 175.37 3ag1 s THR 182 N -0.44 0.74 0.08 -0.34 -1.32 -0.44 -5.02 115.64 108.90 3ag1 s THR 182 Ca 0.07 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.63 3ag1 s THR 182 Cb -0.12 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 3ag1 s THR 182 CO 0.02 -0.17 -0.23 0.42 -2.21 0.00 0.00 174.62 172.45 3ag1 s THR 183 N -3.62 1.91 0.05 5.08 -4.23 -1.26 -1.01 115.64 112.55 3ag1 s THR 183 Ca 0.33 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3ag1 s THR 183 Cb 0.07 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3ag1 s THR 183 CO 0.11 0.14 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.93 3ag1 s LEU 184 N -1.60 2.18 -0.30 4.79 0.20 -0.15 -4.96 118.68 118.85 3ag1 s LEU 184 Ca 0.10 -0.51 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 3ag1 s LEU 184 Cb -0.10 -0.77 0.18 0.00 -0.43 0.00 0.00 46.19 45.08 3ag1 s LEU 184 CO 0.03 0.08 0.64 -0.32 -0.29 0.00 0.00 176.35 176.50 3ag1 s MET 185 N -1.24 0.54 -0.16 1.98 1.75 -1.26 -0.59 119.30 120.32 3ag1 s MET 185 Ca 0.04 0.99 -0.11 0.00 -1.25 0.00 0.00 55.69 55.36 3ag1 s MET 185 Cb -0.08 0.56 -0.05 0.00 2.84 0.00 0.00 34.83 38.10 3ag1 s MET 185 CO 0.02 -0.55 0.22 0.45 -0.65 0.00 0.00 175.02 174.51 3ag1 s SER 186 N 2.87 6.37 0.19 1.11 0.15 -1.26 -4.36 113.70 118.77 3ag1 s SER 186 Ca 0.17 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.51 3ag1 s SER 186 Cb -0.14 -2.14 0.86 0.00 -1.71 0.00 0.00 66.02 62.89 3ag1 s SER 186 CO -0.20 0.19 1.78 -1.20 1.20 0.00 0.00 173.24 175.01 3ag1 n SER 187 N 3.21 0.73 -4.06 5.45 7.64 -0.18 -0.91 113.62 125.50 3ag1 n SER 187 Ca -0.15 0.58 -0.11 0.00 1.01 0.00 0.00 58.87 60.20 3ag1 n SER 187 Cb 0.52 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 3ag1 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ag1 s ARG 188 N -3.11 0.53 0.84 1.43 0.52 -1.26 -4.83 118.95 113.08 3ag1 s ARG 188 Ca 0.10 -0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 3ag1 s ARG 188 Cb 0.13 -0.09 0.10 0.00 0.52 0.00 0.00 34.95 35.60 3ag1 s ARG 188 CO 0.57 -0.01 1.12 -1.25 0.02 0.00 0.00 175.30 175.75 3ag1 s PRO 189 N -2.29 1.71 0.00 3.54 0.04 -1.26 -4.86 135.00 131.87 3ag1 s PRO 189 Ca -0.05 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3ag1 s PRO 189 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3ag1 s PRO 189 CO -0.02 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.58 3ag1 n GLY 190 N -2.24 0.65 3.36 0.56 0.00 -0.72 -4.92 105.19 101.89 3ag1 n GLY 190 Ca 0.07 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 3ag1 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 191 N 0.00 2.86 -0.10 0.99 1.43 -1.26 -0.79 118.68 121.82 3ag1 s LEU 191 Ca 0.00 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3ag1 s LEU 191 Cb 0.00 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3ag1 s LEU 191 CO 0.00 0.09 -0.14 -0.31 0.23 0.00 0.00 176.35 176.22 3ag1 s TYR 192 N 0.82 1.83 -0.03 0.29 1.51 -0.27 -4.96 117.35 116.54 3ag1 s TYR 192 Ca -0.03 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 3ag1 s TYR 192 Cb -0.15 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3ag1 s TYR 192 CO 0.01 -0.43 0.08 0.71 -1.11 0.00 0.00 175.55 174.81 3ag1 s TYR 193 N 0.93 3.30 0.35 2.71 2.02 -1.26 -0.54 117.35 124.86 3ag1 s TYR 193 Ca -0.08 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.86 3ag1 s TYR 193 Cb -0.15 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 3ag1 s TYR 193 CO -0.00 0.56 0.44 0.41 -1.57 0.00 0.00 175.55 175.39 3ag1 n GLY 194 N 1.38 2.31 3.17 0.71 0.00 0.01 -4.22 105.19 108.55 3ag1 n GLY 194 Ca -0.14 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 3ag1 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag1 s GLN 195 N -2.96 0.65 0.24 1.61 -0.21 -1.21 0.44 119.66 118.22 3ag1 s GLN 195 Ca 0.32 -0.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.82 3ag1 s GLN 195 Cb -0.00 0.27 -0.11 0.00 1.00 0.00 0.00 33.01 34.16 3ag1 s GLN 195 CO 0.23 -0.18 1.64 0.00 -2.12 0.00 0.00 175.29 174.86 3ag1 n SER 197 N 3.12 1.88 -3.65 0.00 7.64 -0.10 -4.87 113.62 117.64 3ag1 n SER 197 Ca 0.12 -3.86 -0.07 0.00 1.01 0.00 0.00 58.87 56.07 3ag1 n SER 197 Cb 0.37 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 3ag1 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag1 s GLU 198 N -3.23 0.62 -0.10 1.43 2.56 -1.26 -4.60 118.70 114.12 3ag1 s GLU 198 Ca 0.39 1.16 -0.29 0.00 0.00 0.00 0.00 54.97 56.23 3ag1 s GLU 198 Cb 0.38 0.19 -0.06 0.00 2.00 0.00 0.00 34.13 36.64 3ag1 s GLU 198 CO -0.05 -0.16 1.80 -1.50 -0.56 0.00 0.00 175.26 174.79 3ag1 s ILE 199 N 1.75 3.39 -0.08 -3.70 2.07 -1.26 -4.47 121.20 118.90 3ag1 s ILE 199 Ca -0.09 0.45 0.12 0.00 -1.41 0.00 0.00 60.65 59.72 3ag1 s ILE 199 Cb -0.07 -3.35 0.18 0.00 0.13 0.00 0.00 42.46 39.36 3ag1 s ILE 199 CO -0.18 -0.10 1.09 0.00 -1.91 0.00 0.00 174.94 173.84 3ag1 n GLY 201 N -0.90 0.03 0.23 0.00 0.00 -1.26 -4.76 105.19 98.53 3ag1 n GLY 201 Ca 0.10 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 44.07 3ag1 n GLY 201 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ag1 h SER 202 N 0.00 0.00 -0.39 1.61 4.64 -2.03 -2.90 113.55 114.48 3ag1 h SER 202 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3ag1 h SER 202 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3ag1 h SER 202 CO 0.00 0.19 0.03 0.59 -0.87 0.00 0.00 176.83 176.77 3ag1 n ASN 203 N -3.44 3.19 -0.34 4.97 3.02 -1.26 -4.61 115.26 116.79 3ag1 n ASN 203 Ca -0.00 -3.47 0.20 0.00 -0.03 0.00 0.00 54.58 51.27 3ag1 n ASN 203 Cb 0.38 -0.63 0.42 0.00 -0.61 0.00 0.00 39.78 39.34 3ag1 n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3ag1 h HIS 204 N 1.36 0.97 0.00 3.10 -0.00 -1.81 -1.30 115.15 117.47 3ag1 h HIS 204 Ca 0.18 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3ag1 h HIS 204 Cb 1.72 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 3ag1 h HIS 204 CO 0.90 -0.03 0.00 0.43 -0.00 0.00 0.00 177.93 179.23 3ag1 n SER 205 N -4.95 0.20 -2.51 3.26 7.64 -1.26 -4.05 113.62 111.94 3ag1 n SER 205 Ca 0.29 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.58 3ag1 n SER 205 Cb 0.83 -0.59 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 3ag1 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag1 n PHE 206 N -1.72 2.02 -3.26 1.43 3.01 -0.49 -4.83 117.46 113.62 3ag1 n PHE 206 Ca 0.03 -2.46 -0.25 0.00 1.01 0.00 0.00 57.45 55.79 3ag1 n PHE 206 Cb 0.20 -0.27 -0.07 0.00 -0.01 0.00 0.00 39.48 39.33 3ag1 n PHE 206 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ag1 n MET 207 N -0.50 1.59 -1.67 -1.08 0.00 -1.25 -4.60 117.12 109.62 3ag1 n MET 207 Ca 0.23 -3.89 -0.30 0.00 0.00 0.00 0.00 57.70 53.74 3ag1 n MET 207 Cb 0.83 -1.72 0.18 0.00 0.00 0.00 0.00 33.22 32.51 3ag1 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag1 s PRO 208 N -1.94 0.45 -0.10 3.17 0.04 -1.26 -3.44 135.00 131.93 3ag1 s PRO 208 Ca 0.38 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.29 3ag1 s PRO 208 Cb 0.19 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.94 3ag1 s PRO 208 CO -0.07 -2.58 -0.12 0.42 0.04 0.00 0.00 177.00 174.69 3ag1 s ILE 209 N -3.55 1.24 -0.14 0.56 1.09 0.17 -4.80 121.20 115.77 3ag1 s ILE 209 Ca 0.70 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3ag1 s ILE 209 Cb -0.08 -1.16 0.02 0.00 -1.06 0.00 0.00 42.46 40.18 3ag1 s ILE 209 CO 0.53 0.39 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.94 3ag1 s VAL 210 N 1.08 1.48 -0.12 2.92 1.01 -1.26 -0.81 120.40 124.70 3ag1 s VAL 210 Ca -0.06 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3ag1 s VAL 210 Cb -0.15 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3ag1 s VAL 210 CO -0.02 0.43 0.31 -0.76 0.00 0.00 0.00 175.10 175.06 3ag1 s LEU 211 N 1.52 4.31 -0.42 3.92 1.43 0.29 -0.47 118.68 129.26 3ag1 s LEU 211 Ca 0.05 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.67 3ag1 s LEU 211 Cb -0.13 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.78 3ag1 s LEU 211 CO -0.10 0.17 0.26 -0.70 0.23 0.00 0.00 176.35 176.22 3ag1 s GLU 212 N -0.00 2.51 -0.23 1.70 2.12 0.21 -1.12 118.70 123.89 3ag1 s GLU 212 Ca 0.18 -1.55 -0.12 0.00 0.36 0.00 0.00 54.97 53.83 3ag1 s GLU 212 Cb -0.14 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 3ag1 s GLU 212 CO 0.06 -1.01 0.24 -0.51 -0.54 0.00 0.00 175.26 173.51 3ag1 s LEU 213 N 1.38 4.11 0.20 2.70 2.01 0.03 -0.77 118.68 128.34 3ag1 s LEU 213 Ca 0.04 0.23 -0.00 0.00 0.01 0.00 0.00 54.13 54.40 3ag1 s LEU 213 Cb -0.24 -2.24 -0.04 0.00 0.01 0.00 0.00 46.19 43.68 3ag1 s LEU 213 CO 0.01 0.00 0.10 0.68 1.01 0.00 0.00 176.35 178.15 3ag1 s VAL 214 N 1.25 0.17 0.65 -1.59 -7.23 -0.16 -1.76 120.40 111.72 3ag1 s VAL 214 Ca 0.11 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 3ag1 s VAL 214 Cb -0.14 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3ag1 s VAL 214 CO 0.06 -0.12 1.23 -2.84 -0.31 0.00 0.00 175.10 173.12 3ag1 s PRO 215 N -4.10 2.64 0.29 4.82 0.02 -1.26 -0.31 135.00 137.10 3ag1 s PRO 215 Ca 0.35 1.85 0.04 0.00 0.02 0.00 0.00 61.00 63.26 3ag1 s PRO 215 Cb 0.07 -1.88 0.68 0.00 0.02 0.00 0.00 34.50 33.39 3ag1 s PRO 215 CO 0.10 -1.47 1.78 1.25 -0.33 0.00 0.00 177.00 178.32 3ag1 h LEU 216 N 0.45 0.73 -0.74 -5.54 5.85 -1.93 -1.63 115.31 112.49 3ag1 h LEU 216 Ca -0.50 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.44 3ag1 h LEU 216 Cb 1.31 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 3ag1 h LEU 216 CO 0.53 0.27 -0.36 0.11 -0.34 0.00 0.00 178.44 178.66 3ag1 h LYS 217 N 0.75 -0.10 0.00 1.25 1.79 -2.00 0.19 116.57 118.44 3ag1 h LYS 217 Ca 0.55 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.95 3ag1 h LYS 217 Cb 0.82 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 3ag1 h LYS 217 CO -0.37 -0.07 -0.38 1.88 -1.08 0.00 0.00 179.45 179.43 3ag1 h TYR 218 N -0.10 0.00 -0.01 -1.35 0.05 -1.68 -2.48 116.97 111.40 3ag1 h TYR 218 Ca 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 3ag1 h TYR 218 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3ag1 h TYR 218 CO -0.73 0.38 -0.03 0.35 -1.05 0.00 0.00 178.16 177.07 3ag1 h PHE 219 N 0.00 0.05 -0.58 4.88 3.57 -0.78 0.04 116.94 124.12 3ag1 h PHE 219 Ca -0.00 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.59 3ag1 h PHE 219 Cb 1.10 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.72 3ag1 h PHE 219 CO 0.00 0.66 -0.12 0.93 -2.23 0.00 0.00 178.31 177.54 3ag1 h GLU 220 N -0.57 0.01 -0.32 1.11 5.08 -0.95 -1.34 114.58 117.61 3ag1 h GLU 220 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ag1 h GLU 220 Cb 0.66 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ag1 h GLU 220 CO 0.01 0.01 0.16 0.87 -1.00 0.00 0.00 179.01 179.06 3ag1 h LYS 221 N 0.02 0.45 -0.97 2.33 1.57 -1.42 -2.46 116.57 116.08 3ag1 h LYS 221 Ca 0.28 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.15 3ag1 h LYS 221 Cb 0.43 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 3ag1 h LYS 221 CO -0.58 0.40 0.61 2.35 -0.57 0.00 0.00 179.45 181.67 3ag1 h TRP 222 N 0.39 1.02 -0.25 -1.35 7.01 -0.58 -1.90 115.95 120.30 3ag1 h TRP 222 Ca 0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3ag1 h TRP 222 Cb 0.09 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 3ag1 h TRP 222 CO -0.02 0.35 0.09 0.77 -2.79 0.00 0.00 178.44 176.84 3ag1 h SER 223 N 0.84 0.35 0.11 2.65 0.02 -0.81 -2.36 113.55 114.35 3ag1 h SER 223 Ca 0.51 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3ag1 h SER 223 Cb 0.68 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 3ag1 h SER 223 CO -0.28 0.43 -0.07 0.00 -1.14 0.00 0.00 176.83 175.78 3ag1 h ALA 224 N 0.93 -0.16 0.00 3.77 0.00 -1.04 -2.41 119.26 120.34 3ag1 h ALA 224 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ag1 h ALA 224 Cb 0.20 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ag1 h ALA 224 CO -0.01 -0.60 -0.00 0.66 0.00 0.00 0.00 179.25 179.30 3ag1 h SER 225 N -0.18 0.00 0.18 0.00 4.64 -1.30 -2.53 113.55 114.36 3ag1 h SER 225 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ag1 h SER 225 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3ag1 h SER 225 CO 0.01 0.00 -0.28 0.80 -0.87 0.00 0.00 176.83 176.49 3ag1 n MET 226 N -3.17 0.96 0.00 4.77 0.00 -0.89 -5.10 117.12 113.69 3ag1 n MET 226 Ca -0.03 -0.62 0.16 0.00 0.00 0.00 0.00 57.70 57.21 3ag1 n MET 226 Cb 0.11 -1.49 0.90 0.00 0.00 0.00 0.00 33.22 32.74 3ag1 n MET 226 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25