#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s TYR 3 N 0.00 2.00 0.38 0.00 -0.85 -1.26 -5.09 117.35 112.54 3ag4 s TYR 3 Ca 0.00 -0.62 -0.27 0.00 -0.52 0.00 0.00 57.07 55.65 3ag4 s TYR 3 Cb 0.00 -1.09 -0.11 0.00 0.38 0.00 0.00 41.96 41.14 3ag4 s TYR 3 CO 0.00 0.37 1.42 -2.30 -1.52 0.00 0.00 175.55 173.52 3ag4 n PRO 4 N -0.58 2.44 -1.30 -3.49 -0.02 -1.26 -2.19 135.00 128.60 3ag4 n PRO 4 Ca -0.06 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3ag4 n PRO 4 Cb 0.63 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3ag4 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag4 n MET 5 N 0.35 -1.28 -1.82 -0.52 2.81 -1.26 -4.98 117.12 110.43 3ag4 n MET 5 Ca 0.03 0.82 -0.40 0.00 -1.81 0.00 0.00 57.70 56.33 3ag4 n MET 5 Cb 0.39 -4.99 0.01 0.00 -0.71 0.00 0.00 33.22 27.91 3ag4 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag4 s GLN 6 N -2.69 3.91 -0.17 0.03 0.74 -0.93 -4.91 119.66 115.64 3ag4 s GLN 6 Ca 0.00 2.47 0.03 0.00 0.05 0.00 0.00 55.36 57.91 3ag4 s GLN 6 Cb 0.00 -2.81 -0.12 0.00 1.10 0.00 0.00 33.01 31.18 3ag4 s GLN 6 CO 0.00 -0.66 -0.12 1.28 -0.55 0.00 0.00 175.29 175.24 3ag4 n LEU 7 N 0.14 2.56 0.00 3.68 4.77 -1.26 -5.06 117.00 121.84 3ag4 n LEU 7 Ca 0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ag4 n LEU 7 Cb 0.41 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3ag4 n LEU 7 CO 0.61 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 3ag4 n GLY 8 N 2.61 6.33 3.76 -0.72 0.00 -1.26 -5.11 105.19 110.80 3ag4 n GLY 8 Ca -0.29 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 3ag4 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag4 s PHE 9 N 1.46 2.46 0.69 1.61 0.40 -1.26 -5.01 117.98 118.33 3ag4 s PHE 9 Ca 0.00 1.57 -0.17 0.00 -0.60 0.00 0.00 56.93 57.73 3ag4 s PHE 9 Cb 0.00 -3.23 -0.00 0.00 0.51 0.00 0.00 43.02 40.30 3ag4 s PHE 9 CO 0.00 -1.94 1.07 1.04 0.70 0.00 0.00 175.22 176.10 3ag4 n GLN 10 N -2.63 0.71 -1.80 0.44 6.02 -1.26 -4.94 117.38 113.92 3ag4 n GLN 10 Ca 0.11 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 57.01 3ag4 n GLN 10 Cb 0.52 -2.31 0.03 0.00 1.02 0.00 0.00 30.24 29.50 3ag4 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ag4 s ASP 11 N -1.54 5.47 0.28 1.08 -0.00 -1.26 -4.89 116.67 115.81 3ag4 s ASP 11 Ca 0.77 2.80 -0.29 0.00 -0.00 0.00 0.00 52.55 55.83 3ag4 s ASP 11 Cb -0.36 -2.64 -0.10 0.00 -0.00 0.00 0.00 42.92 39.82 3ag4 s ASP 11 CO 0.47 -1.44 1.22 0.00 -0.00 0.00 0.00 175.17 175.41 3ag4 s ALA 12 N -1.28 3.46 -0.02 5.23 0.00 -1.26 -4.78 121.76 123.10 3ag4 s ALA 12 Ca 0.68 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.87 3ag4 s ALA 12 Cb -0.41 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.06 3ag4 s ALA 12 CO 0.50 -0.41 0.33 2.41 0.00 0.00 0.00 175.76 178.59 3ag4 n THR 13 N 1.34 0.03 -4.26 0.00 -1.04 -0.72 -4.92 114.28 104.70 3ag4 n THR 13 Ca 0.01 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.05 61.49 3ag4 n THR 13 Cb 0.43 0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 68.97 3ag4 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag4 s SER 14 N -3.80 2.00 0.53 8.00 1.04 -1.26 -1.30 113.70 118.92 3ag4 s SER 14 Ca -0.06 -0.92 0.21 0.00 0.48 0.00 0.00 55.95 55.67 3ag4 s SER 14 Cb 0.10 -0.06 1.35 0.00 0.10 0.00 0.00 66.02 67.51 3ag4 s SER 14 CO 0.64 -0.22 2.07 -0.65 0.98 0.00 0.00 173.24 176.06 3ag4 h PRO 15 N 3.10 0.00 -0.00 4.02 0.11 -1.94 -1.88 132.00 135.40 3ag4 h PRO 15 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3ag4 h PRO 15 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ag4 h PRO 15 CO 0.57 0.00 -0.04 0.82 -0.21 0.00 0.00 178.00 179.14 3ag4 h ILE 16 N 0.00 1.56 -0.99 4.15 1.08 -1.94 -1.63 117.51 119.75 3ag4 h ILE 16 Ca 0.13 -1.71 0.25 0.00 -0.39 0.00 0.00 64.86 63.14 3ag4 h ILE 16 Cb 0.52 2.70 -0.13 0.00 -3.07 0.00 0.00 36.82 36.84 3ag4 h ILE 16 CO -0.00 0.45 0.56 -0.03 -0.69 0.00 0.00 178.15 178.43 3ag4 h MET 17 N -0.66 0.49 -0.08 2.37 4.05 -1.72 -1.46 114.93 117.92 3ag4 h MET 17 Ca -0.00 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3ag4 h MET 17 Cb 0.76 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3ag4 h MET 17 CO 0.01 0.33 -0.01 0.93 0.23 0.00 0.00 176.91 178.40 3ag4 h GLU 18 N 0.51 0.15 -1.00 0.39 5.08 -0.75 -1.55 114.58 117.42 3ag4 h GLU 18 Ca 0.65 -0.05 0.23 0.00 -1.00 0.00 0.00 59.36 59.18 3ag4 h GLU 18 Cb 1.27 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.32 3ag4 h GLU 18 CO -0.51 0.44 -0.13 0.93 -1.00 0.00 0.00 179.01 178.74 3ag4 h GLU 19 N -0.15 0.00 -0.44 2.33 4.39 -1.10 -2.24 114.58 117.37 3ag4 h GLU 19 Ca 0.02 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3ag4 h GLU 19 Cb 0.38 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3ag4 h GLU 19 CO 0.01 0.00 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.65 3ag4 h LEU 20 N 0.00 0.82 -0.81 1.33 3.38 -0.65 -0.98 115.31 118.41 3ag4 h LEU 20 Ca 0.53 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3ag4 h LEU 20 Cb 0.94 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3ag4 h LEU 20 CO -0.99 0.97 0.35 -0.07 0.09 0.00 0.00 178.44 178.79 3ag4 h LEU 21 N 0.74 1.09 -0.24 1.67 3.38 -0.74 0.25 115.31 121.46 3ag4 h LEU 21 Ca 0.12 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3ag4 h LEU 21 Cb 0.65 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ag4 h LEU 21 CO 0.05 0.94 -0.31 0.45 0.09 0.00 0.00 178.44 179.66 3ag4 h HIS 22 N 1.16 0.76 -0.83 1.13 3.86 -1.10 -0.72 115.15 119.41 3ag4 h HIS 22 Ca 0.27 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3ag4 h HIS 22 Cb 0.17 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3ag4 h HIS 22 CO 0.02 0.98 0.55 0.35 0.86 0.00 0.00 177.93 180.68 3ag4 h PHE 23 N 0.33 1.00 -0.62 2.45 3.04 -1.07 -0.76 116.94 121.31 3ag4 h PHE 23 Ca 0.03 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 3ag4 h PHE 23 Cb 0.88 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 3ag4 h PHE 23 CO 0.08 0.58 0.06 1.25 -2.02 0.00 0.00 178.31 178.26 3ag4 h HIS 24 N 1.04 1.11 -0.19 0.41 2.76 -0.24 -1.63 115.15 118.41 3ag4 h HIS 24 Ca 0.33 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ag4 h HIS 24 Cb 0.02 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 3ag4 h HIS 24 CO -0.00 0.96 0.11 -0.44 -1.30 0.00 0.00 177.93 177.26 3ag4 h ASP 25 N 0.96 0.23 -0.49 3.26 3.32 -0.46 0.72 116.42 123.96 3ag4 h ASP 25 Ca 0.18 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.26 3ag4 h ASP 25 Cb 0.48 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 3ag4 h ASP 25 CO 0.02 0.23 0.02 -0.74 -1.72 0.00 0.00 179.24 177.05 3ag4 h HIS 26 N 0.22 0.01 -0.12 4.55 -0.00 -1.07 -0.76 115.15 117.98 3ag4 h HIS 26 Ca 0.07 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 3ag4 h HIS 26 Cb 0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3ag4 h HIS 26 CO -0.05 -0.09 -0.02 1.15 -0.00 0.00 0.00 177.93 178.92 3ag4 h THR 27 N 0.14 1.28 0.00 6.26 2.02 -1.08 -3.03 112.91 118.51 3ag4 h THR 27 Ca 0.25 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 3ag4 h THR 27 Cb 0.37 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3ag4 h THR 27 CO -0.39 0.27 -0.33 0.25 0.37 0.00 0.00 175.52 175.69 3ag4 h LEU 28 N -0.07 0.00 0.40 2.58 5.85 -0.77 0.03 115.31 123.32 3ag4 h LEU 28 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ag4 h LEU 28 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3ag4 h LEU 28 CO 0.01 0.33 -0.44 -0.03 -0.34 0.00 0.00 178.44 177.97 3ag4 h MET 29 N 0.00 -0.82 -0.70 1.25 4.05 -1.03 -1.09 114.93 116.59 3ag4 h MET 29 Ca -0.00 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.61 3ag4 h MET 29 Cb 0.70 0.19 -0.13 0.00 -0.80 0.00 0.00 31.60 31.55 3ag4 h MET 29 CO 0.04 -0.55 -0.21 0.82 0.23 0.00 0.00 176.91 177.25 3ag4 h ILE 30 N -0.85 0.26 -0.95 1.77 2.04 -1.35 0.33 117.51 118.76 3ag4 h ILE 30 Ca -0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.03 3ag4 h ILE 30 Cb 0.75 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 3ag4 h ILE 30 CO -0.08 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.27 3ag4 h VAL 31 N -0.03 0.65 0.13 1.67 2.07 -0.89 -0.30 116.25 119.55 3ag4 h VAL 31 Ca 0.33 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3ag4 h VAL 31 Cb 0.53 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3ag4 h VAL 31 CO -0.73 0.08 -0.06 -0.26 0.02 0.00 0.00 177.57 176.62 3ag4 h PHE 32 N 0.45 -0.17 0.00 1.57 0.05 0.98 -1.89 116.94 117.94 3ag4 h PHE 32 Ca 0.51 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.30 3ag4 h PHE 32 Cb 1.21 0.06 0.00 0.00 2.00 0.00 0.00 35.95 39.22 3ag4 h PHE 32 CO -0.00 0.13 0.00 1.28 -0.18 0.00 0.00 178.31 179.54 3ag4 n LEU 33 N -4.88 0.00 -0.20 1.54 4.32 -0.83 -0.84 117.00 116.11 3ag4 n LEU 33 Ca -0.05 0.24 0.01 0.00 -0.02 0.00 0.00 56.01 56.18 3ag4 n LEU 33 Cb 0.19 -0.11 0.11 0.00 -1.62 0.00 0.00 43.42 41.99 3ag4 n LEU 33 CO 0.15 -0.11 0.95 0.40 -1.22 0.00 0.00 177.39 177.56 3ag4 h ILE 34 N 0.00 0.69 -0.10 -0.08 2.04 -1.09 0.21 117.51 119.18 3ag4 h ILE 34 Ca 0.00 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 3ag4 h ILE 34 Cb 0.00 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3ag4 h ILE 34 CO 0.00 0.06 -0.54 0.77 0.00 0.00 0.00 178.15 178.44 3ag4 h SER 35 N 0.33 0.31 0.06 1.72 4.64 -0.93 -1.02 113.55 118.65 3ag4 h SER 35 Ca 0.32 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3ag4 h SER 35 Cb 0.45 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ag4 h SER 35 CO -0.36 0.79 -0.03 0.77 -0.87 0.00 0.00 176.83 177.13 3ag4 h SER 36 N 0.22 -0.07 -0.80 4.97 4.64 -0.11 -1.00 113.55 121.40 3ag4 h SER 36 Ca 0.00 -0.44 0.13 0.00 -0.47 0.00 0.00 61.79 61.01 3ag4 h SER 36 Cb 1.02 0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 63.00 3ag4 h SER 36 CO 0.09 0.61 -0.30 -0.11 -0.87 0.00 0.00 176.83 176.25 3ag4 n LEU 37 N -4.78 -0.48 -0.08 5.97 7.94 0.66 -1.14 117.00 125.08 3ag4 n LEU 37 Ca -0.06 1.39 -0.08 0.00 -1.11 0.00 0.00 56.01 56.15 3ag4 n LEU 37 Cb 0.25 -0.33 -0.01 0.00 0.53 0.00 0.00 43.42 43.86 3ag4 n LEU 37 CO 0.20 -1.26 0.97 0.58 -1.11 0.00 0.00 177.39 176.77 3ag4 h VAL 38 N 0.00 1.02 -0.34 1.96 2.07 -1.21 -0.16 116.25 119.59 3ag4 h VAL 38 Ca 0.29 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 3ag4 h VAL 38 Cb 0.49 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3ag4 h VAL 38 CO -0.80 0.06 -0.03 0.25 0.02 0.00 0.00 177.57 177.07 3ag4 h LEU 39 N 0.34 0.50 0.26 2.57 5.85 0.26 -0.11 115.31 124.99 3ag4 h LEU 39 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ag4 h LEU 39 Cb 0.01 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3ag4 h LEU 39 CO -0.06 0.60 -0.13 0.22 -0.34 0.00 0.00 178.44 178.73 3ag4 h TYR 40 N 0.51 -0.33 -0.94 1.25 3.20 -1.10 -1.58 116.97 117.99 3ag4 h TYR 40 Ca 0.11 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.23 3ag4 h TYR 40 Cb 0.38 0.11 -0.17 0.00 1.54 0.00 0.00 36.73 38.59 3ag4 h TYR 40 CO 0.01 -0.20 0.12 0.82 -1.64 0.00 0.00 178.16 177.27 3ag4 h ILE 41 N -0.76 0.13 -0.61 1.81 2.04 -0.99 0.18 117.51 119.31 3ag4 h ILE 41 Ca -0.04 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3ag4 h ILE 41 Cb 0.27 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 3ag4 h ILE 41 CO 0.06 0.01 0.30 0.40 0.00 0.00 0.00 178.15 178.93 3ag4 h ILE 42 N 0.07 0.91 0.00 -0.67 2.04 -0.98 -1.38 117.51 117.50 3ag4 h ILE 42 Ca 0.59 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 66.17 3ag4 h ILE 42 Cb 1.23 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3ag4 h ILE 42 CO -0.82 0.10 -0.41 0.77 0.00 0.00 0.00 178.15 177.79 3ag4 h SER 43 N 0.56 0.00 -0.08 1.72 4.64 0.28 -2.76 113.55 117.91 3ag4 h SER 43 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ag4 h SER 43 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ag4 h SER 43 CO -0.21 0.41 0.04 0.25 -0.87 0.00 0.00 176.83 176.46 3ag4 h LEU 44 N 0.00 0.10 -2.01 5.97 5.85 -0.20 -2.63 115.31 122.38 3ag4 h LEU 44 Ca -0.00 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.79 3ag4 h LEU 44 Cb 1.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3ag4 h LEU 44 CO 0.05 0.14 0.36 0.24 -0.34 0.00 0.00 178.44 178.89 3ag4 h MET 45 N 0.05 0.00 -0.05 1.25 2.86 -1.02 -3.08 114.93 114.94 3ag4 h MET 45 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3ag4 h MET 45 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3ag4 h MET 45 CO -0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 3ag4 n LEU 46 N -4.32 2.67 -0.81 1.22 4.77 -1.07 -4.52 117.00 114.95 3ag4 n LEU 46 Ca 0.09 -1.04 0.02 0.00 -0.03 0.00 0.00 56.01 55.05 3ag4 n LEU 46 Cb 0.57 -0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.85 3ag4 n LEU 46 CO 0.36 0.47 0.50 0.35 -1.33 0.00 0.00 177.39 177.74 3ag4 n THR 47 N 1.11 2.34 -4.32 -5.08 -2.24 -1.01 -5.01 114.28 100.08 3ag4 n THR 47 Ca 0.12 -3.02 -0.18 0.00 -2.27 0.00 0.00 64.05 58.70 3ag4 n THR 47 Cb 0.49 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 3ag4 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag4 s THR 48 N -3.23 0.74 -0.95 4.28 -1.32 -1.26 -5.02 115.64 108.88 3ag4 s THR 48 Ca 0.41 -0.55 0.28 0.00 -1.21 0.00 0.00 61.69 60.61 3ag4 s THR 48 Cb 0.38 -0.65 0.22 0.00 -1.51 0.00 0.00 72.50 70.94 3ag4 s THR 48 CO -0.04 0.10 1.83 0.29 -2.21 0.00 0.00 174.62 174.59 3ag4 n LYS 49 N 2.55 0.05 -2.06 7.08 4.76 -1.26 -4.88 118.16 124.40 3ag4 n LYS 49 Ca -0.15 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.92 3ag4 n LYS 49 Cb 0.56 -1.56 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 3ag4 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag4 s LEU 50 N -3.29 4.40 0.22 -0.35 1.43 -1.26 -5.02 118.68 114.82 3ag4 s LEU 50 Ca 0.13 2.70 0.07 0.00 -1.03 0.00 0.00 54.13 55.99 3ag4 s LEU 50 Cb 0.18 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 3ag4 s LEU 50 CO 0.56 -0.61 -0.10 0.42 0.23 0.00 0.00 176.35 176.85 3ag4 s THR 51 N -0.72 1.57 -0.33 5.49 -4.23 -1.26 -5.10 115.64 111.07 3ag4 s THR 51 Ca 0.53 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 3ag4 s THR 51 Cb -0.41 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 71.45 3ag4 s THR 51 CO 0.50 -0.49 0.63 -2.28 -0.54 0.00 0.00 174.62 172.44 3ag4 s HIS 52 N -3.07 -1.75 -1.11 3.99 5.04 -1.26 -5.05 115.29 112.07 3ag4 s HIS 52 Ca 0.25 0.77 0.10 0.00 -1.54 0.00 0.00 55.06 54.63 3ag4 s HIS 52 Cb 0.02 0.31 0.13 0.00 0.04 0.00 0.00 32.58 33.07 3ag4 s HIS 52 CO 0.08 -1.07 0.92 0.25 -2.34 0.00 0.00 174.74 172.58 3ag4 n THR 53 N 5.05 0.28 -2.00 0.89 -2.24 -1.26 -5.01 114.28 109.98 3ag4 n THR 53 Ca 0.07 -0.64 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 3ag4 n THR 53 Cb 0.55 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.87 3ag4 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag4 s SER 54 N -0.87 4.73 0.11 3.42 1.04 -1.26 -4.96 113.70 115.92 3ag4 s SER 54 Ca 0.14 0.73 -0.35 0.00 0.48 0.00 0.00 55.95 56.95 3ag4 s SER 54 Cb 0.09 -1.31 -0.14 0.00 0.10 0.00 0.00 66.02 64.75 3ag4 s SER 54 CO 0.13 -1.73 1.56 0.41 0.98 0.00 0.00 173.24 174.59 3ag4 n THR 55 N -3.15 0.06 -4.17 2.02 -1.04 -1.26 -4.99 114.28 101.75 3ag4 n THR 55 Ca 0.08 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.73 3ag4 n THR 55 Cb 0.60 -1.40 -0.09 0.00 -1.82 0.00 0.00 70.33 67.62 3ag4 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag4 s MET 56 N 1.16 3.43 0.01 -2.82 1.00 -1.26 -5.10 119.30 115.71 3ag4 s MET 56 Ca 0.82 -0.35 -0.30 0.00 0.00 0.00 0.00 55.69 55.86 3ag4 s MET 56 Cb -0.75 -3.00 -0.04 0.00 0.00 0.00 0.00 34.83 31.03 3ag4 s MET 56 CO 0.42 0.55 1.13 0.34 0.00 0.00 0.00 175.02 177.45 3ag4 s ASP 57 N -0.43 7.16 -0.13 3.03 2.15 -1.26 -4.97 116.67 122.22 3ag4 s ASP 57 Ca 0.09 1.84 0.15 0.00 0.43 0.00 0.00 52.55 55.06 3ag4 s ASP 57 Cb -0.12 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 39.72 3ag4 s ASP 57 CO 0.02 -0.44 0.12 0.00 -0.17 0.00 0.00 175.17 174.70 3ag4 n ALA 58 N 4.30 1.81 -2.72 3.66 0.00 -1.26 -4.76 120.51 121.54 3ag4 n ALA 58 Ca 0.09 -0.93 -0.43 0.00 0.00 0.00 0.00 53.44 52.17 3ag4 n ALA 58 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 3ag4 n ALA 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ag4 s GLN 59 N -2.55 3.87 0.00 0.00 2.00 -1.26 -1.28 119.66 120.44 3ag4 s GLN 59 Ca -0.08 -1.91 0.00 0.00 -2.00 0.00 0.00 55.36 51.38 3ag4 s GLN 59 Cb 0.06 -5.29 0.00 0.00 0.80 0.00 0.00 33.01 28.58 3ag4 s GLN 59 CO 0.67 -2.06 0.00 -0.85 -0.50 0.00 0.00 175.29 172.55 3ag4 n GLU 60 N 7.56 0.00 0.11 1.67 -0.00 -1.26 -4.86 120.64 123.85 3ag4 n GLU 60 Ca 0.39 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.59 3ag4 n GLU 60 Cb 0.47 0.00 0.46 0.00 -0.00 0.00 0.00 31.44 32.37 3ag4 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag4 h VAL 61 N 0.00 1.11 -0.29 3.84 3.04 -1.82 -2.02 116.25 120.12 3ag4 h VAL 61 Ca 0.00 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 3ag4 h VAL 61 Cb 0.00 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 3ag4 h VAL 61 CO 0.00 0.14 0.13 -0.33 -1.01 0.00 0.00 177.57 176.50 3ag4 h GLU 62 N 0.30 0.39 -0.40 4.17 5.08 -1.52 -0.99 114.58 121.61 3ag4 h GLU 62 Ca 0.07 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3ag4 h GLU 62 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3ag4 h GLU 62 CO -0.00 0.31 0.22 1.15 -1.00 0.00 0.00 179.01 179.69 3ag4 h THR 63 N 0.40 1.02 -0.03 1.13 2.02 -1.63 -2.42 112.91 113.39 3ag4 h THR 63 Ca 0.10 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3ag4 h THR 63 Cb 0.05 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3ag4 h THR 63 CO -0.01 0.08 -0.03 0.40 0.37 0.00 0.00 175.52 176.33 3ag4 h ILE 64 N 0.45 1.37 -0.19 3.11 1.08 -1.16 -1.21 117.51 120.95 3ag4 h ILE 64 Ca 0.16 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3ag4 h ILE 64 Cb 0.03 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 3ag4 h ILE 64 CO -0.09 0.30 0.00 -2.67 -0.69 0.00 0.00 178.15 175.00 3ag4 n TRP 65 N -4.80 0.39 -0.07 1.37 2.14 -0.47 -0.95 117.44 115.03 3ag4 n TRP 65 Ca -0.08 -0.16 -0.13 0.00 2.07 0.00 0.00 57.50 59.20 3ag4 n TRP 65 Cb 0.26 -0.08 -0.06 0.00 -0.81 0.00 0.00 31.31 30.63 3ag4 n TRP 65 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 3ag4 n THR 66 N 0.13 0.78 -0.12 -1.67 5.66 -0.92 -4.54 114.28 113.60 3ag4 n THR 66 Ca 0.07 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 3ag4 n THR 66 Cb 0.30 -1.44 -0.02 0.00 -1.55 0.00 0.00 70.33 67.61 3ag4 n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3ag4 h ILE 67 N -0.33 1.28 0.16 1.09 1.08 -1.00 -1.21 117.51 118.58 3ag4 h ILE 67 Ca -0.34 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 62.84 3ag4 h ILE 67 Cb 1.37 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 3ag4 h ILE 67 CO -0.16 0.42 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.58 3ag4 h LEU 68 N 0.56 -0.18 -0.54 1.44 4.07 -1.26 -0.06 115.31 119.34 3ag4 h LEU 68 Ca 0.08 -0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.10 3ag4 h LEU 68 Cb 0.71 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 3ag4 h LEU 68 CO 0.05 -0.07 0.05 -0.65 -1.08 0.00 0.00 178.44 176.74 3ag4 h PRO 69 N -0.28 0.17 -0.84 1.13 0.11 -1.76 0.06 132.00 130.59 3ag4 h PRO 69 Ca -0.02 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.14 3ag4 h PRO 69 Cb 0.22 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.23 3ag4 h PRO 69 CO 0.04 0.11 0.51 0.00 -0.21 0.00 0.00 178.00 178.45 3ag4 h ALA 70 N 1.46 1.16 -0.03 -0.75 0.00 -0.95 -0.53 119.26 119.62 3ag4 h ALA 70 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ag4 h ALA 70 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ag4 h ALA 70 CO -0.41 0.23 0.02 0.82 0.00 0.00 0.00 179.25 179.91 3ag4 h ILE 71 N 0.92 1.06 -0.96 0.00 2.04 -0.22 -1.14 117.51 119.21 3ag4 h ILE 71 Ca 0.37 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 66.13 3ag4 h ILE 71 Cb 0.20 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3ag4 h ILE 71 CO -0.18 0.05 0.62 0.40 0.00 0.00 0.00 178.15 179.03 3ag4 h ILE 72 N -0.01 1.09 -0.39 -0.67 2.04 -0.62 -0.68 117.51 118.28 3ag4 h ILE 72 Ca 0.01 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 3ag4 h ILE 72 Cb 0.06 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 3ag4 h ILE 72 CO -0.00 0.21 -0.11 -0.07 0.00 0.00 0.00 178.15 178.18 3ag4 h LEU 73 N 1.14 0.66 -0.52 1.44 3.38 -0.87 -1.81 115.31 118.73 3ag4 h LEU 73 Ca 0.41 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ag4 h LEU 73 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ag4 h LEU 73 CO -0.16 0.80 0.12 0.40 0.09 0.00 0.00 178.44 179.68 3ag4 h ILE 74 N 0.62 1.25 -0.07 1.22 2.04 -0.22 0.21 117.51 122.56 3ag4 h ILE 74 Ca 0.11 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3ag4 h ILE 74 Cb 0.55 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3ag4 h ILE 74 CO 0.03 0.32 0.22 -0.07 0.00 0.00 0.00 178.15 178.65 3ag4 h LEU 75 N 0.73 0.00 0.10 1.44 4.07 -0.81 -0.99 115.31 119.85 3ag4 h LEU 75 Ca 0.16 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.76 3ag4 h LEU 75 Cb 0.35 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3ag4 h LEU 75 CO 0.00 0.00 -2.00 -0.38 -1.08 0.00 0.00 178.44 174.98 3ag4 n ILE 76 N -3.20 1.74 -0.00 1.22 5.41 -0.71 -4.50 119.36 119.32 3ag4 n ILE 76 Ca -0.01 -0.67 -0.10 0.00 1.00 0.00 0.00 62.75 62.98 3ag4 n ILE 76 Cb 0.30 -1.63 0.05 0.00 -0.71 0.00 0.00 39.64 37.65 3ag4 n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ag4 h ALA 77 N 0.18 0.69 0.40 -1.39 0.00 0.29 -2.25 119.26 117.17 3ag4 h ALA 77 Ca -0.42 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3ag4 h ALA 77 Cb 2.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3ag4 h ALA 77 CO 0.08 0.69 -0.32 -0.07 0.00 0.00 0.00 179.25 179.62 3ag4 h LEU 78 N 0.44 -0.85 -0.84 0.00 4.07 -1.44 0.46 115.31 117.15 3ag4 h LEU 78 Ca 0.01 0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 3ag4 h LEU 78 Cb 1.09 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 3ag4 h LEU 78 CO 0.10 -0.48 -0.51 1.55 -1.08 0.00 0.00 178.44 178.03 3ag4 h PRO 79 N -0.73 0.19 -0.34 1.13 0.13 -1.80 -1.46 132.00 129.13 3ag4 h PRO 79 Ca -0.04 -0.11 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 3ag4 h PRO 79 Cb 0.63 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.72 3ag4 h PRO 79 CO -0.01 0.65 0.05 1.03 -0.23 0.00 0.00 178.00 179.49 3ag4 h SER 80 N 0.15 -0.01 0.76 1.44 0.87 -0.91 -2.14 113.55 113.70 3ag4 h SER 80 Ca 0.00 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 3ag4 h SER 80 Cb 0.95 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 3ag4 h SER 80 CO 0.08 0.03 -0.90 -0.07 -0.53 0.00 0.00 176.83 175.44 3ag4 h LEU 81 N 0.17 0.11 -0.57 2.23 3.38 0.23 -2.08 115.31 118.78 3ag4 h LEU 81 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ag4 h LEU 81 Cb 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3ag4 h LEU 81 CO -0.22 0.95 0.34 -0.09 0.09 0.00 0.00 178.44 179.51 3ag4 h ARG 82 N 0.04 0.78 -0.42 1.13 2.43 -1.10 -1.10 114.38 116.14 3ag4 h ARG 82 Ca -0.03 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3ag4 h ARG 82 Cb 1.56 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 3ag4 h ARG 82 CO 0.13 0.57 0.14 0.82 -1.51 0.00 0.00 179.97 180.12 3ag4 h ILE 83 N 0.77 1.22 -0.02 1.20 2.04 -1.25 0.79 117.51 122.26 3ag4 h ILE 83 Ca 0.20 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3ag4 h ILE 83 Cb -0.00 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3ag4 h ILE 83 CO -0.04 0.25 -0.19 0.25 0.00 0.00 0.00 178.15 178.42 3ag4 h LEU 84 N 0.54 -0.56 -0.48 1.44 5.85 -0.96 -1.03 115.31 120.11 3ag4 h LEU 84 Ca 0.14 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 3ag4 h LEU 84 Cb 0.25 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3ag4 h LEU 84 CO -0.01 -0.25 -0.57 1.88 -0.34 0.00 0.00 178.44 179.15 3ag4 h TYR 85 N -0.30 0.73 -0.22 1.25 -1.99 -1.07 -2.25 116.97 113.12 3ag4 h TYR 85 Ca 0.06 -0.27 0.05 0.00 2.00 0.00 0.00 58.73 60.57 3ag4 h TYR 85 Cb 0.38 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 38.93 3ag4 h TYR 85 CO -0.25 1.01 -0.09 1.98 -0.00 0.00 0.00 178.16 180.82 3ag4 h MET 86 N 0.44 -0.05 -0.15 4.88 1.85 -0.66 -1.33 114.93 119.91 3ag4 h MET 86 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3ag4 h MET 86 Cb 1.12 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 3ag4 h MET 86 CO 0.11 -0.03 -0.05 0.52 -0.40 0.00 0.00 176.91 177.06 3ag4 h MET 87 N -0.05 0.22 0.00 0.39 2.86 -1.17 -2.15 114.93 115.02 3ag4 h MET 87 Ca 0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3ag4 h MET 87 Cb 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3ag4 h MET 87 CO -0.26 0.28 -0.05 0.22 1.06 0.00 0.00 176.91 178.16 3ag4 h ASP 88 N 0.21 0.00 -3.30 1.22 1.82 -0.68 -3.47 116.42 112.23 3ag4 h ASP 88 Ca 0.05 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.12 3ag4 h ASP 88 Cb 0.23 0.00 0.11 0.00 0.68 0.00 0.00 39.33 40.35 3ag4 h ASP 88 CO 0.01 0.05 0.50 -0.62 -1.61 0.00 0.00 179.24 177.57 3ag4 n GLU 89 N -3.16 2.10 -1.68 0.28 1.02 -0.60 -4.93 120.64 113.67 3ag4 n GLU 89 Ca 0.01 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.45 3ag4 n GLU 89 Cb 0.35 -2.32 -0.01 0.00 -0.02 0.00 0.00 31.44 29.44 3ag4 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ag4 n ILE 90 N 0.32 1.68 0.00 -3.67 5.41 -1.26 -4.96 119.36 116.88 3ag4 n ILE 90 Ca 0.05 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3ag4 n ILE 90 Cb 0.36 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 3ag4 n ILE 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3ag4 n ASN 91 N 1.24 0.16 -2.34 4.38 2.04 -1.26 -5.10 115.26 114.37 3ag4 n ASN 91 Ca 0.07 -0.11 -0.02 0.00 -0.44 0.00 0.00 54.58 54.08 3ag4 n ASN 91 Cb 0.34 0.26 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 3ag4 n ASN 91 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3ag4 n ASN 92 N -0.28 -6.03 -4.85 0.53 3.02 -1.26 -4.99 115.26 101.41 3ag4 n ASN 92 Ca 0.00 0.75 -0.32 0.00 -0.03 0.00 0.00 54.58 54.98 3ag4 n ASN 92 Cb 0.00 -3.92 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 3ag4 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag4 s PRO 93 N -1.44 3.68 0.00 3.52 0.04 -1.26 -4.81 135.00 134.72 3ag4 s PRO 93 Ca 0.06 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.23 3ag4 s PRO 93 Cb -0.02 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3ag4 s PRO 93 CO 0.52 -0.49 1.00 0.43 0.04 0.00 0.00 177.00 178.50 3ag4 n SER 94 N -2.14 1.05 -3.70 6.66 7.64 0.17 -4.98 113.62 118.31 3ag4 n SER 94 Ca 0.07 -0.96 -0.14 0.00 1.01 0.00 0.00 58.87 58.85 3ag4 n SER 94 Cb 0.54 0.83 -0.09 0.00 -1.01 0.00 0.00 64.21 64.48 3ag4 n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ag4 s LEU 95 N -2.94 0.15 -0.06 -3.43 2.96 -1.25 -5.08 118.68 109.04 3ag4 s LEU 95 Ca 0.10 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 3ag4 s LEU 95 Cb 0.16 1.69 -0.00 0.00 0.50 0.00 0.00 46.19 48.54 3ag4 s LEU 95 CO 0.81 -0.22 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.54 3ag4 s THR 96 N 0.02 1.61 -0.03 3.68 2.01 -1.26 -0.59 115.64 121.08 3ag4 s THR 96 Ca -0.02 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.24 3ag4 s THR 96 Cb -0.03 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3ag4 s THR 96 CO 0.02 0.46 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.50 3ag4 s VAL 97 N 0.12 1.71 0.00 3.82 1.01 -0.48 -4.37 120.40 122.21 3ag4 s VAL 97 Ca -0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3ag4 s VAL 97 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3ag4 s VAL 97 CO 0.04 0.48 0.13 -0.54 0.00 0.00 0.00 175.10 175.21 3ag4 s LYS 98 N -0.36 3.24 -0.01 2.72 1.02 -0.44 -0.43 119.74 125.48 3ag4 s LYS 98 Ca 0.04 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.66 3ag4 s LYS 98 Cb -0.10 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3ag4 s LYS 98 CO 0.00 0.65 -0.14 -0.08 -0.92 0.00 0.00 175.35 174.87 3ag4 s THR 99 N -1.28 1.13 -0.14 2.17 -1.32 0.30 -0.63 115.64 115.87 3ag4 s THR 99 Ca 0.26 -0.60 0.01 0.00 -1.21 0.00 0.00 61.69 60.14 3ag4 s THR 99 Cb -0.12 -0.95 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 3ag4 s THR 99 CO 0.17 0.32 -0.15 -0.04 -2.21 0.00 0.00 174.62 172.71 3ag4 s MET 100 N -0.27 3.27 0.34 7.08 1.00 -0.14 -1.60 119.30 128.98 3ag4 s MET 100 Ca 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 55.69 54.74 3ag4 s MET 100 Cb -0.06 -2.59 -0.10 0.00 0.00 0.00 0.00 34.83 32.08 3ag4 s MET 100 CO -0.00 0.11 0.95 0.20 0.00 0.00 0.00 175.02 176.28 3ag4 s GLY 101 N 0.58 2.73 0.17 -0.03 0.00 0.03 -0.81 107.32 110.00 3ag4 s GLY 101 Ca -0.09 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.05 3ag4 s GLY 101 CO 0.03 0.93 0.31 0.30 0.00 0.00 0.00 173.10 174.68 3ag4 s HIS 102 N -1.70 0.39 -0.45 1.90 3.76 -0.59 -0.98 115.29 117.62 3ag4 s HIS 102 Ca 0.52 -0.75 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 3ag4 s HIS 102 Cb -0.17 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.51 3ag4 s HIS 102 CO 0.22 -0.75 0.69 -0.65 -0.85 0.00 0.00 174.74 173.40 3ag4 s GLN 103 N -3.97 3.30 -0.36 1.40 -0.21 -1.26 -0.93 119.66 117.63 3ag4 s GLN 103 Ca 0.18 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.23 3ag4 s GLN 103 Cb 0.03 -3.96 0.11 0.00 1.00 0.00 0.00 33.01 30.18 3ag4 s GLN 103 CO 0.01 -1.08 0.13 -1.58 -2.12 0.00 0.00 175.29 170.65 3ag4 s TRP 104 N 2.98 2.39 -0.04 0.91 0.51 -1.26 -5.13 118.94 119.29 3ag4 s TRP 104 Ca 0.24 -2.30 -0.31 0.00 -2.12 0.00 0.00 56.10 51.61 3ag4 s TRP 104 Cb -0.14 -2.14 0.13 0.00 -0.81 0.00 0.00 33.47 30.51 3ag4 s TRP 104 CO 0.19 -0.87 1.30 1.52 -0.51 0.00 0.00 176.95 178.58 3ag4 s TYR 105 N 1.04 -0.04 0.00 -1.98 1.13 -0.10 -4.71 117.35 112.69 3ag4 s TYR 105 Ca 0.12 -0.04 0.03 0.00 -1.41 0.00 0.00 57.07 55.77 3ag4 s TYR 105 Cb -0.20 0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 3ag4 s TYR 105 CO -0.14 -0.24 -0.08 -1.58 -2.51 0.00 0.00 175.55 171.01 3ag4 s TRP 106 N -2.38 2.86 0.12 -3.49 0.52 -0.74 -1.54 118.94 114.30 3ag4 s TRP 106 Ca 0.14 -0.05 0.09 0.00 0.02 0.00 0.00 56.10 56.29 3ag4 s TRP 106 Cb 0.05 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3ag4 s TRP 106 CO -0.04 0.36 -0.16 -1.54 0.02 0.00 0.00 176.95 175.59 3ag4 s SER 107 N -1.37 4.02 0.03 2.95 1.04 0.01 0.01 113.70 120.39 3ag4 s SER 107 Ca 0.16 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.12 3ag4 s SER 107 Cb -0.11 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.37 3ag4 s SER 107 CO 0.07 0.17 -0.19 -0.31 0.98 0.00 0.00 173.24 173.96 3ag4 s TYR 108 N -1.24 1.65 -0.05 5.02 2.02 -0.52 -0.97 117.35 123.26 3ag4 s TYR 108 Ca 0.20 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 3ag4 s TYR 108 Cb -0.10 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3ag4 s TYR 108 CO 0.11 0.05 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.85 3ag4 s GLU 109 N -0.96 1.18 -0.36 -0.62 2.02 0.19 -2.65 118.70 117.50 3ag4 s GLU 109 Ca 0.06 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.80 3ag4 s GLU 109 Cb -0.08 -1.06 0.11 0.00 0.10 0.00 0.00 34.13 33.20 3ag4 s GLU 109 CO 0.01 0.01 0.12 0.71 0.02 0.00 0.00 175.26 176.13 3ag4 s TYR 110 N 0.63 2.65 -0.19 1.61 2.02 0.11 -1.33 117.35 122.86 3ag4 s TYR 110 Ca -0.11 -2.45 0.13 0.00 -0.37 0.00 0.00 57.07 54.27 3ag4 s TYR 110 Cb -0.14 -2.30 0.41 0.00 -0.40 0.00 0.00 41.96 39.54 3ag4 s TYR 110 CO 0.02 -0.88 1.21 0.25 -1.57 0.00 0.00 175.55 174.58 3ag4 n THR 111 N 4.27 1.97 0.14 -0.71 -2.24 -1.26 -2.73 114.28 113.73 3ag4 n THR 111 Ca 0.02 -2.97 0.03 0.00 -2.27 0.00 0.00 64.05 58.87 3ag4 n THR 111 Cb 0.40 -0.12 0.43 0.00 -2.10 0.00 0.00 70.33 68.94 3ag4 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag4 h ASP 112 N 0.95 0.17 0.00 3.42 3.32 -1.93 -3.42 116.42 118.93 3ag4 h ASP 112 Ca -0.02 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ag4 h ASP 112 Cb 1.09 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3ag4 h ASP 112 CO 0.01 0.31 -0.16 -1.22 -1.72 0.00 0.00 179.24 176.46 3ag4 n TYR 113 N -4.31 -0.95 -3.87 4.55 4.01 -1.26 -5.11 117.16 110.21 3ag4 n TYR 113 Ca -0.01 0.17 -0.22 0.00 -0.16 0.00 0.00 57.90 57.68 3ag4 n TYR 113 Cb 0.24 0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.56 3ag4 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag4 s GLU 114 N -2.00 2.45 -1.16 -0.72 0.41 -1.26 -5.06 118.70 111.35 3ag4 s GLU 114 Ca 0.00 -1.58 -0.15 0.00 -0.41 0.00 0.00 54.97 52.83 3ag4 s GLU 114 Cb 0.00 -2.25 0.15 0.00 -1.78 0.00 0.00 34.13 30.25 3ag4 s GLU 114 CO 0.00 -0.06 1.41 -0.51 -0.49 0.00 0.00 175.26 175.61 3ag4 s ASP 115 N -3.99 6.96 -0.22 -0.19 -0.00 -1.26 -4.10 116.67 113.86 3ag4 s ASP 115 Ca 0.43 -2.73 -0.11 0.00 -0.00 0.00 0.00 52.55 50.13 3ag4 s ASP 115 Cb -0.02 -2.42 -0.05 0.00 -0.00 0.00 0.00 42.92 40.43 3ag4 s ASP 115 CO 0.25 -0.86 0.19 -0.22 -0.00 0.00 0.00 175.17 174.53 3ag4 s LEU 116 N 2.12 4.15 -0.05 1.23 2.96 -1.10 -4.92 118.68 123.06 3ag4 s LEU 116 Ca 0.42 0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 54.34 3ag4 s LEU 116 Cb -0.02 -2.17 0.04 0.00 0.50 0.00 0.00 46.19 44.54 3ag4 s LEU 116 CO -0.01 0.07 0.44 -0.94 -1.32 0.00 0.00 176.35 174.59 3ag4 s SER 117 N 0.89 -0.38 0.35 3.68 1.04 -1.26 0.06 113.70 118.08 3ag4 s SER 117 Ca 0.09 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 3ag4 s SER 117 Cb -0.13 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3ag4 s SER 117 CO 0.04 -0.44 0.69 0.72 0.98 0.00 0.00 173.24 175.23 3ag4 s PHE 118 N -1.01 0.27 0.20 5.02 -0.12 -1.08 -5.00 117.98 116.26 3ag4 s PHE 118 Ca -0.10 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.05 3ag4 s PHE 118 Cb -0.03 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 3ag4 s PHE 118 CO 0.05 -1.39 0.00 -0.51 -0.05 0.00 0.00 175.22 173.32 3ag4 s ASP 119 N -3.08 4.73 -0.18 1.98 1.01 -1.26 -1.44 116.67 118.44 3ag4 s ASP 119 Ca 0.18 -0.45 -0.05 0.00 0.71 0.00 0.00 52.55 52.94 3ag4 s ASP 119 Cb -0.04 -0.98 0.07 0.00 1.01 0.00 0.00 42.92 42.97 3ag4 s ASP 119 CO 0.12 0.07 0.11 -0.55 0.21 0.00 0.00 175.17 175.13 3ag4 s SER 120 N -3.13 2.21 0.03 0.27 0.15 0.10 -4.53 113.70 108.79 3ag4 s SER 120 Ca 0.28 -0.56 0.09 0.00 0.70 0.00 0.00 55.95 56.46 3ag4 s SER 120 Cb -0.09 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 3ag4 s SER 120 CO 0.19 -0.35 -0.25 -0.31 1.20 0.00 0.00 173.24 173.72 3ag4 s TYR 121 N 2.17 2.37 0.37 3.44 2.02 -1.26 -1.79 117.35 124.67 3ag4 s TYR 121 Ca 0.03 -0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.08 3ag4 s TYR 121 Cb -0.16 -1.43 -0.12 0.00 -0.40 0.00 0.00 41.96 39.86 3ag4 s TYR 121 CO -0.10 0.11 1.12 -0.12 -1.57 0.00 0.00 175.55 174.99 3ag4 n MET 122 N 1.90 1.64 -2.49 -0.62 0.00 -1.26 -1.59 117.12 114.70 3ag4 n MET 122 Ca -0.17 0.58 -0.43 0.00 -0.00 0.00 0.00 57.70 57.69 3ag4 n MET 122 Cb 0.52 -2.13 -0.02 0.00 0.00 0.00 0.00 33.22 31.58 3ag4 n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ag4 s ILE 123 N -1.17 4.37 0.38 1.12 -1.09 0.30 -4.73 121.20 120.37 3ag4 s ILE 123 Ca 0.60 1.66 -0.28 0.00 -2.23 0.00 0.00 60.65 60.41 3ag4 s ILE 123 Cb -0.58 -4.07 -0.11 0.00 -1.58 0.00 0.00 42.46 36.12 3ag4 s ILE 123 CO 0.59 -0.08 1.41 -2.65 -1.23 0.00 0.00 174.94 172.98 3ag4 n PRO 124 N 5.93 2.42 -0.31 2.79 -0.02 -1.26 -4.61 135.00 139.95 3ag4 n PRO 124 Ca 0.12 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.61 3ag4 n PRO 124 Cb 0.46 -2.54 0.35 0.00 -0.02 0.00 0.00 33.50 31.74 3ag4 n PRO 124 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ag4 h THR 125 N 2.71 0.41 0.00 3.45 2.02 -1.98 0.88 112.91 120.41 3ag4 h THR 125 Ca -0.49 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3ag4 h THR 125 Cb 1.26 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3ag4 h THR 125 CO 0.63 0.07 0.00 -1.54 0.37 0.00 0.00 175.52 175.05 3ag4 n SER 126 N -5.07 0.17 -0.58 4.18 3.41 -1.26 -2.87 113.62 111.60 3ag4 n SER 126 Ca 0.24 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 3ag4 n SER 126 Cb 0.74 -0.57 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3ag4 n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag4 n GLU 127 N -1.68 1.31 -1.69 4.33 1.02 0.25 -5.01 120.64 119.17 3ag4 n GLU 127 Ca 0.04 -1.49 -0.43 0.00 -0.02 0.00 0.00 57.16 55.27 3ag4 n GLU 127 Cb 0.24 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3ag4 n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ag4 n LEU 128 N 0.73 3.42 -4.86 -4.62 4.77 -0.87 -4.91 117.00 110.67 3ag4 n LEU 128 Ca 0.09 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.94 3ag4 n LEU 128 Cb 0.36 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 3ag4 n LEU 128 CO 0.08 -0.59 0.35 -0.54 -1.33 0.00 0.00 177.39 175.36 3ag4 s LYS 129 N -1.88 3.95 0.04 3.23 1.02 -1.26 -4.95 119.74 119.89 3ag4 s LYS 129 Ca 0.56 0.55 -0.36 0.00 0.02 0.00 0.00 55.97 56.74 3ag4 s LYS 129 Cb -0.57 -2.53 -0.15 0.00 -0.52 0.00 0.00 37.83 34.06 3ag4 s LYS 129 CO 0.62 0.22 1.55 -2.30 -0.92 0.00 0.00 175.35 174.52 3ag4 n PRO 130 N -0.23 1.65 -0.20 -1.68 -0.02 -1.26 -0.42 135.00 132.84 3ag4 n PRO 130 Ca 0.02 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3ag4 n PRO 130 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3ag4 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag4 n GLY 131 N 3.31 1.05 3.89 -1.23 0.00 -1.26 -5.05 105.19 105.90 3ag4 n GLY 131 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3ag4 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag4 s GLU 132 N -0.56 3.12 -0.38 1.61 2.02 0.44 -5.03 118.70 119.92 3ag4 s GLU 132 Ca 0.00 0.38 -0.16 0.00 0.02 0.00 0.00 54.97 55.21 3ag4 s GLU 132 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3ag4 s GLU 132 CO 0.00 -0.76 0.41 -0.51 0.02 0.00 0.00 175.26 174.42 3ag4 s LEU 133 N -5.16 4.62 0.01 1.80 1.43 -1.26 -4.91 118.68 115.20 3ag4 s LEU 133 Ca 0.55 -0.41 -0.37 0.00 -1.03 0.00 0.00 54.13 52.86 3ag4 s LEU 133 Cb -0.11 -2.38 -0.16 0.00 0.03 0.00 0.00 46.19 43.56 3ag4 s LEU 133 CO 0.50 -0.46 1.44 -1.14 0.23 0.00 0.00 176.35 176.91 3ag4 n ARG 134 N 5.52 1.18 -0.22 1.70 0.63 -1.26 -2.09 116.66 122.11 3ag4 n ARG 134 Ca -0.08 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 3ag4 n ARG 134 Cb 0.48 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.31 3ag4 n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ag4 n LEU 135 N 3.19 0.06 -0.07 6.15 4.77 -1.26 -4.76 117.00 125.08 3ag4 n LEU 135 Ca 0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 3ag4 n LEU 135 Cb 0.18 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3ag4 n LEU 135 CO 0.66 -0.03 -0.95 0.18 -1.33 0.00 0.00 177.39 175.92 3ag4 n LEU 136 N 0.00 1.50 -4.81 2.23 4.77 -0.89 -4.57 117.00 115.23 3ag4 n LEU 136 Ca 0.00 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 3ag4 n LEU 136 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3ag4 n LEU 136 CO 0.00 0.53 0.70 -1.61 -1.33 0.00 0.00 177.39 175.68 3ag4 s GLU 137 N -2.30 3.82 0.18 3.23 0.41 -1.14 -4.61 118.70 118.29 3ag4 s GLU 137 Ca -0.13 1.26 0.09 0.00 -0.41 0.00 0.00 54.97 55.78 3ag4 s GLU 137 Cb 0.04 -2.10 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 3ag4 s GLU 137 CO 0.42 -0.40 -0.20 0.14 -0.49 0.00 0.00 175.26 174.74 3ag4 s VAL 138 N -2.14 2.00 0.06 2.63 -7.23 -1.26 -0.54 120.40 113.93 3ag4 s VAL 138 Ca 0.65 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.56 3ag4 s VAL 138 Cb -0.14 -1.96 -0.17 0.00 0.56 0.00 0.00 36.38 34.67 3ag4 s VAL 138 CO 0.22 -0.28 1.60 -2.24 -0.31 0.00 0.00 175.10 174.09 3ag4 h ASP 139 N 3.13 -0.30 -3.57 4.85 -0.00 -1.58 -3.43 116.42 115.51 3ag4 h ASP 139 Ca -0.43 -0.05 -0.67 0.00 -0.00 0.00 0.00 57.03 55.88 3ag4 h ASP 139 Cb 1.21 0.08 -0.31 0.00 -0.00 0.00 0.00 39.33 40.31 3ag4 h ASP 139 CO 0.51 -0.15 -0.72 0.20 -0.00 0.00 0.00 179.24 179.09 3ag4 s ASN 140 N -4.95 4.53 0.58 4.15 0.01 -1.26 -5.04 114.94 112.96 3ag4 s ASN 140 Ca -0.15 -0.92 -0.08 0.00 -0.71 0.00 0.00 52.86 50.99 3ag4 s ASN 140 Cb 0.04 -1.70 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 3ag4 s ASN 140 CO 0.63 -0.16 0.94 -0.13 -1.51 0.00 0.00 177.10 176.87 3ag4 s ARG 141 N 1.33 3.33 -0.99 -0.60 0.52 -1.26 -4.63 118.95 116.64 3ag4 s ARG 141 Ca -0.01 0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 55.41 3ag4 s ARG 141 Cb -0.17 -2.20 0.14 0.00 0.52 0.00 0.00 34.95 33.24 3ag4 s ARG 141 CO -0.03 -0.56 1.20 0.08 0.02 0.00 0.00 175.30 176.01 3ag4 s VAL 142 N -3.03 4.79 0.26 3.52 1.01 -0.01 -4.89 120.40 122.04 3ag4 s VAL 142 Ca 0.53 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 3ag4 s VAL 142 Cb -0.11 -4.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.37 3ag4 s VAL 142 CO 0.49 -1.54 1.27 -0.69 0.00 0.00 0.00 175.10 174.64 3ag4 s VAL 143 N 2.46 3.06 0.03 2.92 1.01 -1.26 0.09 120.40 128.71 3ag4 s VAL 143 Ca 0.35 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 3ag4 s VAL 143 Cb -0.04 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3ag4 s VAL 143 CO -0.07 0.19 0.25 -0.76 0.00 0.00 0.00 175.10 174.71 3ag4 s LEU 144 N -0.98 1.13 -0.01 3.92 1.43 0.48 -4.88 118.68 119.77 3ag4 s LEU 144 Ca 0.52 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3ag4 s LEU 144 Cb -0.37 1.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.94 3ag4 s LEU 144 CO 0.44 -0.55 1.00 -2.16 0.23 0.00 0.00 176.35 175.32 3ag4 s PRO 145 N -2.30 4.53 0.84 1.29 0.04 -1.26 -1.22 135.00 136.92 3ag4 s PRO 145 Ca -0.07 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 3ag4 s PRO 145 Cb -0.02 -3.47 0.10 0.00 0.04 0.00 0.00 34.50 31.15 3ag4 s PRO 145 CO -0.02 -0.11 1.11 0.00 0.04 0.00 0.00 177.00 178.01 3ag4 s MET 146 N 1.18 1.68 -1.72 4.56 0.23 0.17 -4.00 119.30 121.41 3ag4 s MET 146 Ca 0.52 1.24 0.00 0.00 -1.03 0.00 0.00 55.69 56.41 3ag4 s MET 146 Cb -0.21 -1.83 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 3ag4 s MET 146 CO 0.26 -2.07 0.00 0.39 -2.03 0.00 0.00 175.02 171.58 3ag4 n GLU 147 N -3.82 -1.73 -4.05 3.16 1.02 0.41 -4.72 120.64 110.91 3ag4 n GLU 147 Ca 0.09 0.97 -0.13 0.00 -0.02 0.00 0.00 57.16 58.08 3ag4 n GLU 147 Cb 0.53 -5.59 -0.12 0.00 -0.02 0.00 0.00 31.44 26.24 3ag4 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag4 s MET 148 N -4.86 0.41 -0.27 3.49 -1.94 -1.26 -5.01 119.30 109.86 3ag4 s MET 148 Ca 0.00 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 3ag4 s MET 148 Cb 0.00 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.64 3ag4 s MET 148 CO 0.00 0.04 1.22 0.99 -0.01 0.00 0.00 175.02 177.26 3ag4 s THR 149 N -0.99 4.30 -0.07 2.05 2.01 -1.26 -4.30 115.64 117.37 3ag4 s THR 149 Ca -0.08 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.45 3ag4 s THR 149 Cb -0.07 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 3ag4 s THR 149 CO -0.00 -0.39 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.78 3ag4 s ILE 150 N 3.93 3.11 -0.27 1.82 1.01 -0.16 -0.65 121.20 129.99 3ag4 s ILE 150 Ca 0.52 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 3ag4 s ILE 150 Cb -0.16 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3ag4 s ILE 150 CO 0.18 0.57 0.51 -0.60 0.00 0.00 0.00 174.94 175.61 3ag4 s ARG 151 N -0.46 4.02 -0.11 2.79 3.52 0.24 -1.14 118.95 127.81 3ag4 s ARG 151 Ca 0.06 0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.79 3ag4 s ARG 151 Cb -0.12 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3ag4 s ARG 151 CO 0.02 -0.38 0.31 -1.64 -0.81 0.00 0.00 175.30 172.80 3ag4 s MET 152 N 2.31 4.05 -0.04 5.12 -1.94 0.42 -1.38 119.30 127.85 3ag4 s MET 152 Ca 0.21 0.16 0.06 0.00 -1.71 0.00 0.00 55.69 54.41 3ag4 s MET 152 Cb -0.16 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 3ag4 s MET 152 CO 0.10 0.43 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.80 3ag4 s LEU 153 N -0.13 2.26 -0.03 -0.03 1.43 0.43 -1.19 118.68 121.42 3ag4 s LEU 153 Ca 0.19 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3ag4 s LEU 153 Cb -0.14 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3ag4 s LEU 153 CO 0.07 0.31 -0.11 -0.69 0.23 0.00 0.00 176.35 176.16 3ag4 s VAL 154 N -0.53 0.91 0.19 -1.59 1.01 0.14 -0.54 120.40 119.99 3ag4 s VAL 154 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ag4 s VAL 154 Cb -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3ag4 s VAL 154 CO 0.00 0.28 0.33 -0.24 0.00 0.00 0.00 175.10 175.47 3ag4 n SER 155 N 3.26 -0.95 -4.02 3.32 2.88 -0.63 -0.01 113.62 117.48 3ag4 n SER 155 Ca -0.18 -1.91 -0.08 0.00 -1.33 0.00 0.00 58.87 55.36 3ag4 n SER 155 Cb 0.54 1.65 -0.10 0.00 -0.75 0.00 0.00 64.21 65.55 3ag4 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag4 s SER 156 N -2.11 0.33 -0.04 -3.46 0.15 -1.25 -0.79 113.70 106.54 3ag4 s SER 156 Ca 0.12 -0.71 0.14 0.00 0.70 0.00 0.00 55.95 56.20 3ag4 s SER 156 Cb -0.02 0.16 0.43 0.00 -1.71 0.00 0.00 66.02 64.88 3ag4 s SER 156 CO 0.09 -0.45 1.36 -0.62 1.20 0.00 0.00 173.24 174.82 3ag4 n GLU 157 N 0.89 2.95 0.00 5.44 1.02 -0.15 -4.08 120.64 126.71 3ag4 n GLU 157 Ca -0.19 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 3ag4 n GLU 157 Cb 0.58 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3ag4 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag4 n ASP 158 N 0.59 0.00 -4.21 1.62 5.68 -1.26 -5.05 116.55 113.92 3ag4 n ASP 158 Ca 0.16 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.27 3ag4 n ASP 158 Cb 0.57 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.64 3ag4 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag4 n VAL 159 N 0.00 0.00 -2.37 2.12 0.24 -1.26 -4.63 118.33 112.43 3ag4 n VAL 159 Ca 0.00 -1.39 -0.36 0.00 -2.04 0.00 0.00 64.34 60.55 3ag4 n VAL 159 Cb 0.00 -0.87 -0.02 0.00 -1.47 0.00 0.00 33.84 31.48 3ag4 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag4 s LEU 160 N 0.00 3.90 0.00 1.34 1.43 -1.26 -4.64 118.68 119.45 3ag4 s LEU 160 Ca 0.54 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.81 3ag4 s LEU 160 Cb -0.03 -4.42 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 3ag4 s LEU 160 CO 0.35 -0.92 0.11 1.41 0.23 0.00 0.00 176.35 177.53 3ag4 n HIS 161 N -0.81 -0.23 -3.69 0.29 8.25 -0.69 -4.33 115.22 114.01 3ag4 n HIS 161 Ca 0.09 -1.23 -0.11 0.00 -0.26 0.00 0.00 57.72 56.21 3ag4 n HIS 161 Cb 0.50 0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 3ag4 n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ag4 s SER 162 N -2.06 -0.56 -0.36 0.41 0.15 -1.26 -0.18 113.70 109.83 3ag4 s SER 162 Ca 0.15 0.99 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 3ag4 s SER 162 Cb 0.01 0.91 -0.00 0.00 -1.71 0.00 0.00 66.02 65.22 3ag4 s SER 162 CO 0.11 -0.19 0.39 0.86 1.20 0.00 0.00 173.24 175.61 3ag4 s TRP 163 N 1.05 3.20 0.00 3.44 -0.00 0.18 -1.08 118.94 125.73 3ag4 s TRP 163 Ca -0.06 -0.09 0.05 0.00 -0.00 0.00 0.00 56.10 56.00 3ag4 s TRP 163 Cb -0.06 -2.73 -0.02 0.00 -0.00 0.00 0.00 33.47 30.66 3ag4 s TRP 163 CO -0.09 -0.50 -0.16 0.00 -0.00 0.00 0.00 176.95 176.20 3ag4 s ALA 164 N 2.07 1.36 -0.32 5.86 0.00 -1.26 -0.96 121.76 128.50 3ag4 s ALA 164 Ca 0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3ag4 s ALA 164 Cb -0.17 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.77 3ag4 s ALA 164 CO 0.12 0.32 0.24 0.08 0.00 0.00 0.00 175.76 176.52 3ag4 s VAL 165 N -0.50 -0.18 0.28 0.00 1.01 -0.05 -3.55 120.40 117.41 3ag4 s VAL 165 Ca 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3ag4 s VAL 165 Cb -0.07 -0.95 0.28 0.00 0.00 0.00 0.00 36.38 35.64 3ag4 s VAL 165 CO -0.00 -0.68 1.88 -0.65 0.00 0.00 0.00 175.10 175.65 3ag4 h PRO 166 N 7.82 1.09 0.00 2.72 0.11 -1.74 -1.53 132.00 140.46 3ag4 h PRO 166 Ca -0.08 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3ag4 h PRO 166 Cb 1.03 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3ag4 h PRO 166 CO 0.32 0.72 0.00 -1.13 -0.21 0.00 0.00 178.00 177.71 3ag4 n SER 167 N -4.51 0.47 -0.73 -2.05 3.41 -1.26 -0.74 113.62 108.21 3ag4 n SER 167 Ca 0.16 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.49 3ag4 n SER 167 Cb 0.21 -0.74 0.14 0.00 -0.26 0.00 0.00 64.21 63.56 3ag4 n SER 167 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ag4 n LEU 168 N -2.06 2.77 -1.15 1.04 4.77 -0.64 -1.76 117.00 119.98 3ag4 n LEU 168 Ca 0.01 -1.56 -0.11 0.00 -0.03 0.00 0.00 56.01 54.32 3ag4 n LEU 168 Cb 0.14 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3ag4 n LEU 168 CO 0.14 0.63 -0.13 0.61 -1.33 0.00 0.00 177.39 177.30 3ag4 n GLY 169 N 0.83 0.42 3.62 -0.72 0.00 0.08 -4.39 105.19 105.03 3ag4 n GLY 169 Ca 0.12 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3ag4 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag4 s LEU 170 N -3.04 3.41 -0.30 0.99 1.43 -0.80 -4.98 118.68 115.40 3ag4 s LEU 170 Ca 0.00 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3ag4 s LEU 170 Cb 0.00 -1.78 0.18 0.00 0.03 0.00 0.00 46.19 44.62 3ag4 s LEU 170 CO 0.00 0.34 0.76 -0.75 0.23 0.00 0.00 176.35 176.93 3ag4 s LYS 171 N -0.65 0.44 -0.07 1.70 2.20 -1.25 -0.87 119.74 121.24 3ag4 s LYS 171 Ca 0.10 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 3ag4 s LYS 171 Cb -0.12 0.46 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 3ag4 s LYS 171 CO 0.02 -0.44 -0.06 0.99 -0.36 0.00 0.00 175.35 175.50 3ag4 s THR 172 N 2.87 0.74 0.62 3.43 2.01 -0.14 -4.97 115.64 120.20 3ag4 s THR 172 Ca 0.11 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 3ag4 s THR 172 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3ag4 s THR 172 CO -0.18 0.29 1.12 -1.81 -0.69 0.00 0.00 174.62 173.35 3ag4 s ASP 173 N 1.18 5.26 -0.36 3.53 1.01 -1.26 -0.64 116.67 125.39 3ag4 s ASP 173 Ca -0.06 2.09 -0.02 0.00 0.71 0.00 0.00 52.55 55.27 3ag4 s ASP 173 Cb -0.14 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.31 3ag4 s ASP 173 CO -0.02 -1.53 0.10 0.00 0.21 0.00 0.00 175.17 173.94 3ag4 s ALA 174 N -2.12 2.99 -0.09 5.23 0.00 0.74 -4.75 121.76 123.76 3ag4 s ALA 174 Ca 0.69 -2.22 0.05 0.00 0.00 0.00 0.00 51.96 50.48 3ag4 s ALA 174 Cb -0.22 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 3ag4 s ALA 174 CO 0.37 -1.57 -0.24 0.42 0.00 0.00 0.00 175.76 174.73 3ag4 s ILE 175 N 1.16 2.06 0.37 0.00 1.01 -1.26 -1.70 121.20 122.84 3ag4 s ILE 175 Ca 0.03 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 3ag4 s ILE 175 Cb -0.21 -1.77 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 3ag4 s ILE 175 CO -0.03 0.56 1.29 -2.16 0.00 0.00 0.00 174.94 174.60 3ag4 s PRO 176 N 0.18 4.17 0.00 2.79 0.04 -1.26 -1.25 135.00 139.68 3ag4 s PRO 176 Ca -0.14 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3ag4 s PRO 176 Cb -0.17 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3ag4 s PRO 176 CO 0.07 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3ag4 n GLY 177 N 0.73 1.21 3.20 0.56 0.00 -1.26 -4.96 105.19 104.68 3ag4 n GLY 177 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3ag4 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag4 s ARG 178 N -0.28 0.92 -0.40 1.61 3.52 -0.38 -5.11 118.95 118.83 3ag4 s ARG 178 Ca 0.00 -1.26 0.02 0.00 -0.13 0.00 0.00 55.73 54.36 3ag4 s ARG 178 Cb 0.00 -0.56 0.12 0.00 -1.56 0.00 0.00 34.95 32.95 3ag4 s ARG 178 CO 0.00 0.08 0.17 -1.17 -0.81 0.00 0.00 175.30 173.57 3ag4 s LEU 179 N -2.70 3.12 -0.00 -0.88 2.96 -1.26 -4.43 118.68 115.48 3ag4 s LEU 179 Ca 0.09 -2.34 -0.19 0.00 -0.22 0.00 0.00 54.13 51.47 3ag4 s LEU 179 Cb -0.01 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 3ag4 s LEU 179 CO 0.00 -0.32 0.56 0.20 -1.32 0.00 0.00 176.35 175.47 3ag4 s ASN 180 N 0.70 6.94 -0.06 3.68 0.01 0.99 -4.79 114.94 122.41 3ag4 s ASN 180 Ca 0.14 1.12 -0.04 0.00 -0.71 0.00 0.00 52.86 53.38 3ag4 s ASN 180 Cb -0.22 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 3ag4 s ASN 180 CO -0.08 0.15 0.11 -1.58 -1.51 0.00 0.00 177.10 174.19 3ag4 s GLN 181 N -0.37 3.27 0.06 -0.60 0.74 -1.26 -0.68 119.66 120.82 3ag4 s GLN 181 Ca 0.29 -0.30 -0.11 0.00 0.05 0.00 0.00 55.36 55.29 3ag4 s GLN 181 Cb -0.18 -3.02 0.01 0.00 1.10 0.00 0.00 33.01 30.92 3ag4 s GLN 181 CO 0.16 0.71 0.24 -0.08 -0.55 0.00 0.00 175.29 175.78 3ag4 s THR 182 N -1.11 0.11 0.27 -0.34 -1.32 -0.33 -5.02 115.64 107.90 3ag4 s THR 182 Ca 0.19 -0.89 0.11 0.00 -1.21 0.00 0.00 61.69 59.89 3ag4 s THR 182 Cb -0.12 -1.07 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 3ag4 s THR 182 CO 0.09 -0.49 -0.13 0.42 -2.21 0.00 0.00 174.62 172.30 3ag4 s THR 183 N -3.06 2.84 -0.04 5.08 -4.23 -1.26 -0.44 115.64 114.53 3ag4 s THR 183 Ca -0.01 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.28 3ag4 s THR 183 Cb 0.01 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3ag4 s THR 183 CO -0.07 -0.37 0.10 -0.22 -0.54 0.00 0.00 174.62 173.53 3ag4 s LEU 184 N -3.50 1.27 -0.15 4.79 0.20 -0.29 -4.93 118.68 116.07 3ag4 s LEU 184 Ca 0.30 0.20 -0.04 0.00 0.69 0.00 0.00 54.13 55.28 3ag4 s LEU 184 Cb -0.06 0.28 0.07 0.00 -0.43 0.00 0.00 46.19 46.06 3ag4 s LEU 184 CO 0.16 -0.08 0.24 -0.32 -0.29 0.00 0.00 176.35 176.07 3ag4 s MET 185 N 0.55 0.15 -0.20 1.98 1.75 -1.26 -0.99 119.30 121.28 3ag4 s MET 185 Ca -0.04 0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 54.86 3ag4 s MET 185 Cb -0.06 -0.39 -0.05 0.00 2.84 0.00 0.00 34.83 37.18 3ag4 s MET 185 CO -0.02 -0.40 0.19 0.45 -0.65 0.00 0.00 175.02 174.59 3ag4 s SER 186 N 2.39 6.26 0.00 1.11 0.15 -1.26 -4.44 113.70 117.90 3ag4 s SER 186 Ca 0.04 0.29 0.21 0.00 0.70 0.00 0.00 55.95 57.18 3ag4 s SER 186 Cb -0.13 -2.12 1.00 0.00 -1.71 0.00 0.00 66.02 63.05 3ag4 s SER 186 CO -0.09 0.12 1.69 -1.20 1.20 0.00 0.00 173.24 174.95 3ag4 n SER 187 N 3.79 0.00 -4.12 5.45 7.64 -0.42 -0.45 113.62 125.51 3ag4 n SER 187 Ca -0.14 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 59.88 3ag4 n SER 187 Cb 0.52 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 63.23 3ag4 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ag4 s ARG 188 N -2.78 0.70 0.91 1.43 0.52 -1.26 -4.80 118.95 113.66 3ag4 s ARG 188 Ca 0.15 -1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 54.01 3ag4 s ARG 188 Cb 0.14 -0.03 0.16 0.00 0.52 0.00 0.00 34.95 35.73 3ag4 s ARG 188 CO 0.36 -0.05 1.27 -1.25 0.02 0.00 0.00 175.30 175.64 3ag4 s PRO 189 N -3.59 1.12 0.00 3.54 0.04 -1.26 -4.82 135.00 130.03 3ag4 s PRO 189 Ca 0.07 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3ag4 s PRO 189 Cb 0.04 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3ag4 s PRO 189 CO -0.06 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3ag4 n GLY 190 N -3.55 0.85 3.13 0.56 0.00 -0.75 -4.92 105.19 100.51 3ag4 n GLY 190 Ca 0.12 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3ag4 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag4 s LEU 191 N 0.00 2.01 -0.10 0.99 1.43 -1.26 -0.84 118.68 120.90 3ag4 s LEU 191 Ca 0.00 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3ag4 s LEU 191 Cb 0.00 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3ag4 s LEU 191 CO 0.00 0.05 -0.13 -0.31 0.23 0.00 0.00 176.35 176.19 3ag4 s TYR 192 N 0.92 1.82 0.05 0.29 1.51 -0.08 -4.96 117.35 116.90 3ag4 s TYR 192 Ca -0.05 -0.85 0.05 0.00 -1.01 0.00 0.00 57.07 55.20 3ag4 s TYR 192 Cb -0.15 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3ag4 s TYR 192 CO -0.03 -0.46 -0.06 0.71 -1.11 0.00 0.00 175.55 174.59 3ag4 s TYR 193 N 1.09 2.86 0.36 2.71 2.02 -1.26 0.01 117.35 125.13 3ag4 s TYR 193 Ca -0.05 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 3ag4 s TYR 193 Cb -0.14 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3ag4 s TYR 193 CO -0.02 0.41 0.52 0.41 -1.57 0.00 0.00 175.55 175.29 3ag4 n GLY 194 N 1.12 1.98 3.06 0.71 0.00 -0.01 -4.17 105.19 107.88 3ag4 n GLY 194 Ca -0.14 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3ag4 n GLY 194 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag4 s GLN 195 N -2.72 0.37 0.10 1.61 -0.21 -1.23 -0.33 119.66 117.24 3ag4 s GLN 195 Ca 0.28 -0.26 -0.36 0.00 0.02 0.00 0.00 55.36 55.04 3ag4 s GLN 195 Cb -0.01 0.15 -0.16 0.00 1.00 0.00 0.00 33.01 33.99 3ag4 s GLN 195 CO 0.20 -0.08 1.45 0.00 -2.12 0.00 0.00 175.29 174.74 3ag4 n SER 197 N 3.01 1.75 -3.70 0.00 7.64 -0.24 -4.89 113.62 117.20 3ag4 n SER 197 Ca 0.18 -3.29 -0.14 0.00 1.01 0.00 0.00 58.87 56.63 3ag4 n SER 197 Cb 0.23 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 3ag4 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag4 s GLU 198 N -2.57 0.12 -0.08 1.43 2.56 -1.26 -4.67 118.70 114.24 3ag4 s GLU 198 Ca 0.33 0.56 -0.36 0.00 0.00 0.00 0.00 54.97 55.50 3ag4 s GLU 198 Cb 0.31 -0.15 -0.13 0.00 2.00 0.00 0.00 34.13 36.16 3ag4 s GLU 198 CO -0.04 -0.23 1.77 1.51 -0.56 0.00 0.00 175.26 177.71 3ag4 n ILE 199 N 4.79 0.40 -1.45 -3.70 3.06 -1.26 -4.46 119.36 116.73 3ag4 n ILE 199 Ca -0.16 -0.07 0.02 0.00 -2.50 0.00 0.00 62.75 60.05 3ag4 n ILE 199 Cb 0.51 -1.62 0.03 0.00 0.54 0.00 0.00 39.64 39.10 3ag4 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ag4 n GLY 201 N -0.38 0.41 0.33 0.00 0.00 -1.26 -4.75 105.19 99.54 3ag4 n GLY 201 Ca 0.04 -2.29 0.27 0.00 0.00 0.00 0.00 46.02 44.04 3ag4 n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ag4 h SER 202 N 0.00 0.30 -0.09 1.61 0.02 -2.03 -2.70 113.55 110.66 3ag4 h SER 202 Ca 0.00 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3ag4 h SER 202 Cb 0.00 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ag4 h SER 202 CO 0.00 -0.32 -0.11 0.59 -1.14 0.00 0.00 176.83 175.85 3ag4 n ASN 203 N -5.21 2.53 -0.33 3.07 3.02 -1.26 -4.67 115.26 112.42 3ag4 n ASN 203 Ca 0.34 -3.31 0.25 0.00 -0.03 0.00 0.00 54.58 51.83 3ag4 n ASN 203 Cb 1.12 -0.49 0.49 0.00 -0.61 0.00 0.00 39.78 40.28 3ag4 n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3ag4 h HIS 204 N 0.65 0.74 0.00 3.10 -0.00 -1.77 -0.46 115.15 117.41 3ag4 h HIS 204 Ca 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3ag4 h HIS 204 Cb 1.16 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3ag4 h HIS 204 CO 0.35 -0.33 0.00 0.43 -0.00 0.00 0.00 177.93 178.39 3ag4 n SER 205 N -5.19 0.00 -2.51 3.26 7.64 -1.26 -4.18 113.62 111.38 3ag4 n SER 205 Ca 0.32 0.48 -0.13 0.00 1.01 0.00 0.00 58.87 60.55 3ag4 n SER 205 Cb 1.06 -0.49 0.03 0.00 -1.01 0.00 0.00 64.21 63.80 3ag4 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag4 n PHE 206 N -1.49 2.03 -3.34 1.43 3.01 -0.18 -4.86 117.46 114.07 3ag4 n PHE 206 Ca 0.05 -2.47 -0.26 0.00 1.01 0.00 0.00 57.45 55.78 3ag4 n PHE 206 Cb 0.21 -0.27 -0.09 0.00 -0.01 0.00 0.00 39.48 39.32 3ag4 n PHE 206 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ag4 n MET 207 N -0.50 0.58 -1.70 -1.08 0.00 -1.25 -4.47 117.12 108.71 3ag4 n MET 207 Ca 0.23 -3.32 -0.29 0.00 0.00 0.00 0.00 57.70 54.32 3ag4 n MET 207 Cb 0.83 -1.54 0.11 0.00 0.00 0.00 0.00 33.22 32.62 3ag4 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag4 s PRO 208 N -0.63 1.51 -0.09 3.17 0.04 -1.26 -3.34 135.00 134.41 3ag4 s PRO 208 Ca 0.34 0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.62 3ag4 s PRO 208 Cb 0.09 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3ag4 s PRO 208 CO -0.15 -1.93 -0.21 0.42 0.04 0.00 0.00 177.00 175.17 3ag4 s ILE 209 N -3.41 1.81 -0.15 0.56 1.01 0.55 -4.83 121.20 116.73 3ag4 s ILE 209 Ca 0.63 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3ag4 s ILE 209 Cb -0.13 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3ag4 s ILE 209 CO 0.51 0.50 -0.03 -0.69 0.00 0.00 0.00 174.94 175.23 3ag4 s VAL 210 N 0.48 0.92 -0.07 2.92 1.01 -1.26 -0.83 120.40 123.57 3ag4 s VAL 210 Ca -0.17 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3ag4 s VAL 210 Cb -0.17 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3ag4 s VAL 210 CO 0.07 0.12 0.35 -0.76 0.00 0.00 0.00 175.10 174.88 3ag4 s LEU 211 N 1.72 4.39 -0.30 3.92 1.43 0.10 -0.83 118.68 129.10 3ag4 s LEU 211 Ca 0.01 0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3ag4 s LEU 211 Cb -0.15 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.65 3ag4 s LEU 211 CO -0.07 0.25 -0.01 -0.70 0.23 0.00 0.00 176.35 176.05 3ag4 s GLU 212 N -0.52 2.29 -0.27 1.70 2.12 0.11 -0.90 118.70 123.23 3ag4 s GLU 212 Ca 0.21 -1.37 -0.11 0.00 0.36 0.00 0.00 54.97 54.06 3ag4 s GLU 212 Cb -0.15 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3ag4 s GLU 212 CO 0.10 -0.67 0.19 -0.51 -0.54 0.00 0.00 175.26 173.83 3ag4 s LEU 213 N 1.18 4.04 0.21 2.70 2.01 -0.02 -0.39 118.68 128.42 3ag4 s LEU 213 Ca -0.04 0.02 -0.01 0.00 0.01 0.00 0.00 54.13 54.11 3ag4 s LEU 213 Cb -0.20 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.84 3ag4 s LEU 213 CO -0.03 -0.03 0.15 0.68 1.01 0.00 0.00 176.35 178.14 3ag4 s VAL 214 N 1.61 0.00 0.49 -1.59 -7.23 -0.36 -1.81 120.40 111.51 3ag4 s VAL 214 Ca 0.07 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 3ag4 s VAL 214 Cb -0.15 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 3ag4 s VAL 214 CO 0.10 0.00 1.36 -2.65 -0.31 0.00 0.00 175.10 173.60 3ag4 n PRO 215 N -0.29 1.95 -0.34 4.82 -0.02 -1.26 0.42 135.00 140.28 3ag4 n PRO 215 Ca 0.02 0.70 0.20 0.00 -2.02 0.00 0.00 63.50 62.40 3ag4 n PRO 215 Cb 0.66 -2.55 0.38 0.00 -0.02 0.00 0.00 33.50 31.97 3ag4 n PRO 215 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag4 h LEU 216 N 1.89 -0.25 -0.81 2.45 5.85 -1.93 -1.15 115.31 121.36 3ag4 h LEU 216 Ca -0.50 0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 3ag4 h LEU 216 Cb 1.29 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3ag4 h LEU 216 CO 0.59 -0.39 -0.45 0.11 -0.34 0.00 0.00 178.44 177.96 3ag4 h LYS 217 N 0.00 0.32 -0.22 1.25 1.79 -2.00 0.16 116.57 117.88 3ag4 h LYS 217 Ca 0.68 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.83 3ag4 h LYS 217 Cb 1.54 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 3ag4 h LYS 217 CO -0.89 0.72 -0.48 1.88 -1.08 0.00 0.00 179.45 179.61 3ag4 h TYR 218 N 0.26 0.70 -0.94 -1.35 0.05 -1.59 -2.73 116.97 111.37 3ag4 h TYR 218 Ca 0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.57 3ag4 h TYR 218 Cb 0.91 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 3ag4 h TYR 218 CO 0.02 0.94 0.57 0.35 -1.05 0.00 0.00 178.16 178.99 3ag4 h PHE 219 N 0.46 1.23 -0.38 4.88 3.57 -0.56 -0.84 116.94 125.29 3ag4 h PHE 219 Ca 0.02 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 3ag4 h PHE 219 Cb 1.00 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3ag4 h PHE 219 CO 0.04 0.81 -0.34 0.93 -2.23 0.00 0.00 178.31 177.52 3ag4 h GLU 220 N 1.30 0.87 -0.14 1.11 5.08 -0.66 0.11 114.58 122.24 3ag4 h GLU 220 Ca 0.34 -0.43 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 3ag4 h GLU 220 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3ag4 h GLU 220 CO -0.06 1.07 -0.63 0.87 -1.00 0.00 0.00 179.01 179.26 3ag4 h LYS 221 N 0.72 0.50 -0.73 2.33 1.57 -1.35 -1.12 116.57 118.51 3ag4 h LYS 221 Ca 0.07 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3ag4 h LYS 221 Cb 0.91 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 3ag4 h LYS 221 CO 0.08 0.97 0.45 2.35 -0.57 0.00 0.00 179.45 182.74 3ag4 h TRP 222 N 0.37 0.84 -0.20 -1.35 7.01 -1.04 -1.48 115.95 120.10 3ag4 h TRP 222 Ca -0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3ag4 h TRP 222 Cb 1.18 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 3ag4 h TRP 222 CO 0.05 0.47 0.13 0.77 -2.79 0.00 0.00 178.44 177.07 3ag4 h SER 223 N 0.87 0.23 -0.87 2.65 0.02 -0.41 -2.30 113.55 113.75 3ag4 h SER 223 Ca 0.30 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 3ag4 h SER 223 Cb 0.05 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 3ag4 h SER 223 CO -0.12 0.18 0.54 0.00 -1.14 0.00 0.00 176.83 176.29 3ag4 h ALA 224 N 1.06 1.18 0.00 3.77 0.00 -0.98 -2.30 119.26 121.99 3ag4 h ALA 224 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ag4 h ALA 224 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ag4 h ALA 224 CO -0.02 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 3ag4 n SER 225 N -4.60 0.02 -0.59 0.00 3.41 -0.58 -2.85 113.62 108.43 3ag4 n SER 225 Ca 0.12 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3ag4 n SER 225 Cb 0.16 -0.51 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 3ag4 n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ag4 n MET 226 N -1.52 1.43 0.00 4.33 2.81 -0.87 -5.09 117.12 118.22 3ag4 n MET 226 Ca 0.05 -1.18 0.09 0.00 -1.81 0.00 0.00 57.70 54.85 3ag4 n MET 226 Cb 0.25 -1.48 0.50 0.00 -0.71 0.00 0.00 33.22 31.79 3ag4 n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76