#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 h ILE 3 N 0.00 1.35 -0.89 -2.13 2.04 -2.01 -0.23 117.51 115.63 3ag1 h ILE 3 Ca 0.00 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.46 3ag1 h ILE 3 Cb 0.00 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3ag1 h ILE 3 CO 0.00 0.43 0.58 0.78 0.00 0.00 0.00 178.15 179.94 3ag1 h ASN 4 N 0.09 0.97 -0.04 1.72 4.21 -1.95 0.19 115.58 120.77 3ag1 h ASN 4 Ca 0.02 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.41 3ag1 h ASN 4 Cb 0.79 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.78 3ag1 h ASN 4 CO 0.05 0.67 -0.41 -0.09 -1.29 0.00 0.00 177.43 176.36 3ag1 h ARG 5 N 1.13 0.35 0.00 0.81 2.43 -1.88 -3.20 114.38 114.02 3ag1 h ARG 5 Ca 0.36 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ag1 h ARG 5 Cb -0.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3ag1 h ARG 5 CO -0.12 0.98 -1.68 0.91 -1.51 0.00 0.00 179.97 178.55 3ag1 n TRP 6 N -4.36 0.00 -0.04 2.20 7.02 -0.11 -3.55 117.44 118.61 3ag1 n TRP 6 Ca -0.09 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.38 3ag1 n TRP 6 Cb 0.56 -0.35 -0.09 0.00 -2.42 0.00 0.00 31.31 29.01 3ag1 n TRP 6 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ag1 n LEU 7 N -2.02 0.00 -1.23 -0.99 4.32 0.58 -4.60 117.00 113.05 3ag1 n LEU 7 Ca -0.03 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.98 3ag1 n LEU 7 Cb 0.42 0.17 0.25 0.00 -1.62 0.00 0.00 43.42 42.64 3ag1 n LEU 7 CO 0.35 0.17 0.79 0.49 -1.22 0.00 0.00 177.39 177.97 3ag1 n PHE 8 N -2.22 1.35 -1.71 -1.77 3.72 -0.65 -5.02 117.46 111.17 3ag1 n PHE 8 Ca -0.12 -1.18 -0.41 0.00 -0.05 0.00 0.00 57.45 55.69 3ag1 n PHE 8 Cb 0.65 -0.46 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3ag1 n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ag1 n SER 9 N -0.63 2.69 -0.88 4.37 2.88 -1.23 -4.90 113.62 115.91 3ag1 n SER 9 Ca 0.30 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 59.02 3ag1 n SER 9 Cb 1.06 -1.51 0.11 0.00 -0.75 0.00 0.00 64.21 63.12 3ag1 n SER 9 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ag1 n THR 10 N -0.07 1.08 -4.11 2.46 -2.24 -1.26 -4.60 114.28 105.53 3ag1 n THR 10 Ca 0.06 -1.92 -0.34 0.00 -2.27 0.00 0.00 64.05 59.58 3ag1 n THR 10 Cb 0.39 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 3ag1 n THR 10 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ag1 s ASN 11 N -2.48 3.71 0.50 3.42 3.84 -1.26 -4.82 114.94 117.85 3ag1 s ASN 11 Ca 0.32 -0.51 0.16 0.00 0.21 0.00 0.00 52.86 53.03 3ag1 s ASN 11 Cb 0.33 -1.60 1.21 0.00 -0.55 0.00 0.00 41.25 40.64 3ag1 s ASN 11 CO -0.09 0.01 2.12 1.12 -2.79 0.00 0.00 177.10 177.46 3ag1 h HIS 12 N 7.88 0.01 0.03 0.43 2.07 -1.91 -1.97 115.15 121.69 3ag1 h HIS 12 Ca -0.42 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.10 3ag1 h HIS 12 Cb 1.16 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3ag1 h HIS 12 CO 0.52 0.04 -0.02 0.87 -3.07 0.00 0.00 177.93 176.28 3ag1 h LYS 13 N 0.01 -0.04 -0.68 5.12 1.57 -1.90 -1.04 116.57 119.60 3ag1 h LYS 13 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3ag1 h LYS 13 Cb 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3ag1 h LYS 13 CO 0.00 0.53 0.33 -0.44 -0.57 0.00 0.00 179.45 179.31 3ag1 h ASP 14 N -0.66 0.87 -0.67 0.86 3.45 -1.92 -0.68 116.42 117.66 3ag1 h ASP 14 Ca -0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.33 3ag1 h ASP 14 Cb 0.60 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 3ag1 h ASP 14 CO 0.01 0.74 0.28 0.40 -1.57 0.00 0.00 179.24 179.10 3ag1 h ILE 15 N 0.96 1.24 -0.91 0.35 2.04 -1.40 -1.12 117.51 118.68 3ag1 h ILE 15 Ca 0.24 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3ag1 h ILE 15 Cb 0.10 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 3ag1 h ILE 15 CO -0.03 0.29 0.60 1.23 0.00 0.00 0.00 178.15 180.24 3ag1 h GLY 16 N 0.94 1.29 0.83 5.37 0.00 -0.80 -2.05 103.07 108.65 3ag1 h GLY 16 Ca 0.22 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3ag1 h GLY 16 CO -0.02 0.44 0.37 -0.84 0.00 0.00 0.00 176.54 176.49 3ag1 h THR 17 N 1.20 1.05 -0.81 4.70 2.02 -0.75 -1.31 112.91 119.01 3ag1 h THR 17 Ca 0.34 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3ag1 h THR 17 Cb -0.09 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.54 3ag1 h THR 17 CO -0.09 0.13 0.52 -0.07 0.37 0.00 0.00 175.52 176.38 3ag1 h LEU 18 N 0.72 0.86 -0.49 2.58 3.38 -0.83 -1.13 115.31 120.41 3ag1 h LEU 18 Ca 0.25 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3ag1 h LEU 18 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3ag1 h LEU 18 CO -0.12 0.59 0.17 1.88 0.09 0.00 0.00 178.44 181.06 3ag1 h TYR 19 N 1.01 0.76 -0.75 1.13 0.05 -1.17 0.11 116.97 118.10 3ag1 h TYR 19 Ca 0.32 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 59.07 3ag1 h TYR 19 Cb 0.01 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3ag1 h TYR 19 CO -0.03 0.65 0.48 -0.07 -1.05 0.00 0.00 178.16 178.14 3ag1 h LEU 20 N 0.65 0.79 -0.11 3.88 3.38 -0.73 -0.76 115.31 122.42 3ag1 h LEU 20 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ag1 h LEU 20 Cb 0.23 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ag1 h LEU 20 CO -0.01 0.55 0.04 -0.07 0.09 0.00 0.00 178.44 179.05 3ag1 h LEU 21 N 0.94 0.15 0.02 1.67 3.38 -0.86 -2.12 115.31 118.49 3ag1 h LEU 21 Ca 0.30 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3ag1 h LEU 21 Cb 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3ag1 h LEU 21 CO -0.11 0.27 -0.27 0.15 0.09 0.00 0.00 178.44 178.58 3ag1 h PHE 22 N 0.02 -0.72 -0.16 1.13 3.57 -0.61 -2.46 116.94 117.70 3ag1 h PHE 22 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3ag1 h PHE 22 Cb 0.17 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3ag1 h PHE 22 CO -0.02 -0.36 0.01 0.78 -2.23 0.00 0.00 178.31 176.49 3ag1 h GLY 23 N -0.42 0.25 1.00 2.40 0.00 -1.12 -0.44 103.07 104.73 3ag1 h GLY 23 Ca 0.06 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 3ag1 h GLY 23 CO -0.22 0.11 -0.56 0.00 0.00 0.00 0.00 176.54 175.87 3ag1 h ALA 24 N 1.79 0.27 -0.35 3.60 0.00 -1.28 0.24 119.26 123.53 3ag1 h ALA 24 Ca 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3ag1 h ALA 24 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ag1 h ALA 24 CO 0.00 0.50 0.05 2.35 0.00 0.00 0.00 179.25 182.15 3ag1 h TRP 25 N 0.32 0.61 -1.00 0.00 7.01 -1.18 -2.56 115.95 119.16 3ag1 h TRP 25 Ca -0.03 -0.09 0.09 0.00 2.11 0.00 0.00 58.89 60.97 3ag1 h TRP 25 Cb 1.19 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 3ag1 h TRP 25 CO 0.10 0.64 0.64 0.00 -2.79 0.00 0.00 178.44 177.03 3ag1 h ALA 26 N 0.90 1.43 -0.92 2.65 0.00 -1.03 -1.48 119.26 120.80 3ag1 h ALA 26 Ca 0.10 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.19 3ag1 h ALA 26 Cb 0.36 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 3ag1 h ALA 26 CO 0.01 0.35 0.50 0.78 0.00 0.00 0.00 179.25 180.89 3ag1 h GLY 27 N 1.10 1.58 0.94 0.00 0.00 -0.17 0.21 103.07 106.73 3ag1 h GLY 27 Ca 0.45 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 3ag1 h GLY 27 CO -0.21 -0.09 -0.17 -0.33 0.00 0.00 0.00 176.54 175.73 3ag1 h MET 28 N 0.64 0.68 -0.34 4.80 2.07 -0.89 -1.48 114.93 120.42 3ag1 h MET 28 Ca 0.53 -0.31 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 3ag1 h MET 28 Cb 0.83 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.53 3ag1 h MET 28 CO -0.40 0.90 0.11 0.28 1.07 0.00 0.00 176.91 178.88 3ag1 h VAL 29 N 0.44 1.20 -0.32 -2.22 2.07 -1.00 -1.06 116.25 115.37 3ag1 h VAL 29 Ca 0.07 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3ag1 h VAL 29 Cb 0.71 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ag1 h VAL 29 CO 0.05 0.22 -0.12 1.23 0.02 0.00 0.00 177.57 178.97 3ag1 h GLY 30 N 0.39 0.59 0.99 2.17 0.00 -0.55 -2.31 103.07 104.35 3ag1 h GLY 30 Ca 0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3ag1 h GLY 30 CO -0.01 0.38 -0.26 -0.84 0.00 0.00 0.00 176.54 175.81 3ag1 h THR 31 N 0.50 1.29 -0.49 4.70 2.02 -1.00 -2.03 112.91 117.91 3ag1 h THR 31 Ca 0.09 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 3ag1 h THR 31 Cb 0.51 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3ag1 h THR 31 CO 0.03 0.46 -0.04 0.00 0.37 0.00 0.00 175.52 176.35 3ag1 h ALA 32 N 0.74 1.02 -0.76 6.16 0.00 -0.92 -1.34 119.26 124.16 3ag1 h ALA 32 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ag1 h ALA 32 Cb 0.83 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3ag1 h ALA 32 CO 0.07 0.60 0.42 -0.07 0.00 0.00 0.00 179.25 180.27 3ag1 h LEU 33 N 0.77 0.94 -1.08 0.00 3.38 -1.37 -1.73 115.31 116.22 3ag1 h LEU 33 Ca 0.14 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3ag1 h LEU 33 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ag1 h LEU 33 CO 0.03 0.76 -0.42 0.77 0.09 0.00 0.00 178.44 179.67 3ag1 h SER 34 N 1.04 0.09 -0.01 -0.43 4.64 -0.63 -1.62 113.55 116.62 3ag1 h SER 34 Ca 0.27 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 3ag1 h SER 34 Cb 0.02 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3ag1 h SER 34 CO -0.04 0.50 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.91 3ag1 h LEU 35 N 0.07 0.58 -0.62 5.97 3.38 -0.75 -2.58 115.31 121.36 3ag1 h LEU 35 Ca 0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3ag1 h LEU 35 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ag1 h LEU 35 CO 0.06 0.94 -0.03 -0.07 0.09 0.00 0.00 178.44 179.42 3ag1 h LEU 36 N 0.44 1.04 -0.57 1.67 3.38 -0.80 0.41 115.31 120.88 3ag1 h LEU 36 Ca 0.03 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3ag1 h LEU 36 Cb 0.93 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3ag1 h LEU 36 CO 0.08 1.10 0.36 0.40 0.09 0.00 0.00 178.44 180.48 3ag1 h ILE 37 N 0.95 1.09 0.00 1.22 2.04 -1.26 -2.32 117.51 119.24 3ag1 h ILE 37 Ca 0.16 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3ag1 h ILE 37 Cb 0.59 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3ag1 h ILE 37 CO 0.04 0.13 -0.17 0.03 0.00 0.00 0.00 178.15 178.17 3ag1 h ARG 38 N 0.72 0.00 -0.21 2.37 2.47 -1.19 -2.91 114.38 115.63 3ag1 h ARG 38 Ca 0.22 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.81 3ag1 h ARG 38 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3ag1 h ARG 38 CO -0.08 0.17 -0.38 0.00 0.56 0.00 0.00 179.97 180.24 3ag1 h ALA 39 N 1.83 0.33 -0.34 0.04 0.00 -0.70 -1.02 119.26 119.41 3ag1 h ALA 39 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3ag1 h ALA 39 Cb 1.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3ag1 h ALA 39 CO 0.02 0.42 0.18 1.49 0.00 0.00 0.00 179.25 181.36 3ag1 h GLU 40 N 0.32 0.45 -0.02 0.00 4.57 -1.28 -2.90 114.58 115.73 3ag1 h GLU 40 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3ag1 h GLU 40 Cb 0.98 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3ag1 h GLU 40 CO 0.09 0.34 -0.27 1.28 -1.18 0.00 0.00 179.01 179.27 3ag1 n LEU 41 N -4.45 2.08 -0.02 1.64 4.77 -1.11 -4.48 117.00 115.43 3ag1 n LEU 41 Ca 0.02 -0.72 0.14 0.00 -0.03 0.00 0.00 56.01 55.42 3ag1 n LEU 41 Cb 0.10 -0.02 0.66 0.00 -2.33 0.00 0.00 43.42 41.82 3ag1 n LEU 41 CO 0.36 0.37 0.94 0.61 -1.33 0.00 0.00 177.39 178.34 3ag1 n GLY 42 N 1.36 -1.31 3.26 -0.72 0.00 -0.39 -4.50 105.19 102.90 3ag1 n GLY 42 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3ag1 n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ag1 s GLN 43 N -2.73 0.90 0.72 1.61 -2.07 -1.26 -4.45 119.66 112.37 3ag1 s GLN 43 Ca 0.22 -0.65 -0.15 0.00 -1.82 0.00 0.00 55.36 52.96 3ag1 s GLN 43 Cb 0.20 0.39 0.03 0.00 -1.09 0.00 0.00 33.01 32.53 3ag1 s GLN 43 CO 0.50 -0.31 1.18 -2.14 -1.32 0.00 0.00 175.29 173.20 3ag1 s PRO 44 N -3.18 2.26 0.00 9.60 0.02 -1.26 -4.80 135.00 137.64 3ag1 s PRO 44 Ca -0.01 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3ag1 s PRO 44 Cb 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3ag1 s PRO 44 CO -0.07 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.29 3ag1 n GLY 45 N 0.15 -2.59 3.56 0.52 0.00 -1.26 -5.02 105.19 100.55 3ag1 n GLY 45 Ca 0.13 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 3ag1 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag1 s THR 46 N -0.56 3.54 -0.11 2.61 -1.32 -1.26 -4.71 115.64 113.82 3ag1 s THR 46 Ca 0.00 -0.54 -0.05 0.00 -1.21 0.00 0.00 61.69 59.89 3ag1 s THR 46 Cb 0.00 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 3ag1 s THR 46 CO 0.00 0.60 -0.14 -0.11 -2.21 0.00 0.00 174.62 172.76 3ag1 n LEU 47 N 2.24 1.09 0.24 9.08 7.94 -1.26 -4.67 117.00 131.66 3ag1 n LEU 47 Ca -0.18 0.11 0.13 0.00 -1.11 0.00 0.00 56.01 54.96 3ag1 n LEU 47 Cb 0.53 -0.33 0.48 0.00 0.53 0.00 0.00 43.42 44.63 3ag1 n LEU 47 CO 0.26 0.29 0.87 -0.07 -1.11 0.00 0.00 177.39 177.64 3ag1 h LEU 48 N -0.35 0.00 0.00 -1.96 3.38 -1.95 -3.46 115.31 110.97 3ag1 h LEU 48 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ag1 h LEU 48 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ag1 h LEU 48 CO -0.15 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3ag1 n GLY 49 N 0.32 2.99 2.67 0.83 0.00 -1.26 -4.89 105.19 105.85 3ag1 n GLY 49 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3ag1 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 50 N -1.62 2.87 0.28 1.61 -1.08 -1.26 -4.98 116.67 112.48 3ag1 s ASP 50 Ca 0.00 -0.86 0.22 0.00 -0.52 0.00 0.00 52.55 51.39 3ag1 s ASP 50 Cb 0.00 -0.47 0.10 0.00 -1.46 0.00 0.00 42.92 41.10 3ag1 s ASP 50 CO 0.00 -0.34 1.22 0.44 0.52 0.00 0.00 175.17 177.01 3ag1 h ASP 51 N 8.31 0.00 -0.32 -0.34 3.32 -2.00 -1.35 116.42 124.04 3ag1 h ASP 51 Ca -0.16 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3ag1 h ASP 51 Cb 1.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3ag1 h ASP 51 CO 0.34 0.02 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.21 3ag1 h GLN 52 N 0.00 0.72 -0.54 3.56 5.75 -1.96 -2.37 115.11 120.27 3ag1 h GLN 52 Ca -0.00 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 3ag1 h GLN 52 Cb 1.02 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 3ag1 h GLN 52 CO 0.00 0.77 -0.06 0.82 -2.65 0.00 0.00 178.83 177.72 3ag1 h ILE 53 N 0.66 1.26 -0.45 2.39 2.04 -1.59 -1.76 117.51 120.06 3ag1 h ILE 53 Ca 0.12 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.85 3ag1 h ILE 53 Cb 0.50 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3ag1 h ILE 53 CO 0.03 0.42 0.19 0.22 0.00 0.00 0.00 178.15 179.01 3ag1 h TYR 54 N 0.88 0.34 -0.10 1.37 5.03 -1.33 -1.61 116.97 121.54 3ag1 h TYR 54 Ca 0.15 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 3ag1 h TYR 54 Cb 0.59 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 3ag1 h TYR 54 CO 0.04 0.15 -0.53 -0.91 -1.32 0.00 0.00 178.16 175.58 3ag1 h ASN 55 N 0.38 0.32 -0.86 -2.11 2.35 -0.93 -0.89 115.58 113.83 3ag1 h ASN 55 Ca 0.21 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3ag1 h ASN 55 Cb 0.17 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3ag1 h ASN 55 CO -0.18 0.79 0.57 0.58 -1.65 0.00 0.00 177.43 177.54 3ag1 h VAL 56 N 0.23 1.22 -0.10 2.81 2.07 -1.00 -2.09 116.25 119.40 3ag1 h VAL 56 Ca 0.01 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3ag1 h VAL 56 Cb 1.01 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3ag1 h VAL 56 CO 0.09 0.21 -0.18 0.58 0.02 0.00 0.00 177.57 178.29 3ag1 h VAL 57 N 1.17 1.39 -0.27 2.57 2.07 -0.70 -1.18 116.25 121.30 3ag1 h VAL 57 Ca 0.32 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.41 3ag1 h VAL 57 Cb -0.14 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3ag1 h VAL 57 CO -0.07 0.42 0.04 0.58 0.02 0.00 0.00 177.57 178.56 3ag1 h VAL 58 N -0.15 0.86 -0.32 2.57 2.07 -1.20 -0.24 116.25 119.85 3ag1 h VAL 58 Ca 0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3ag1 h VAL 58 Cb 0.76 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ag1 h VAL 58 CO 0.04 0.03 0.19 0.74 0.02 0.00 0.00 177.57 178.59 3ag1 h THR 59 N 0.14 1.05 -0.37 2.57 2.02 -1.30 -2.95 112.91 114.07 3ag1 h THR 59 Ca 0.13 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3ag1 h THR 59 Cb 0.14 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3ag1 h THR 59 CO -0.17 0.07 -0.28 0.00 0.37 0.00 0.00 175.52 175.51 3ag1 h ALA 60 N 1.13 0.82 -0.36 6.16 0.00 -1.09 -2.39 119.26 123.53 3ag1 h ALA 60 Ca 0.12 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ag1 h ALA 60 Cb -0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 3ag1 h ALA 60 CO -0.05 0.64 -0.10 1.25 0.00 0.00 0.00 179.25 180.99 3ag1 h HIS 61 N 0.66 -0.22 0.02 0.00 6.17 -0.87 -1.02 115.15 119.89 3ag1 h HIS 61 Ca 0.08 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 3ag1 h HIS 61 Cb 0.80 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.89 3ag1 h HIS 61 CO 0.04 -0.17 -0.01 0.00 0.71 0.00 0.00 177.93 178.50 3ag1 h ALA 62 N 1.34 -0.03 -0.73 5.26 0.00 -1.41 -1.00 119.26 122.69 3ag1 h ALA 62 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ag1 h ALA 62 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ag1 h ALA 62 CO -0.38 -0.42 0.34 0.74 0.00 0.00 0.00 179.25 179.53 3ag1 h PHE 63 N -0.23 1.04 -0.32 0.00 0.04 -1.11 -1.30 116.94 115.07 3ag1 h PHE 63 Ca -0.00 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 3ag1 h PHE 63 Cb 0.21 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3ag1 h PHE 63 CO -0.01 0.76 -0.13 0.28 -0.60 0.00 0.00 178.31 178.61 3ag1 h VAL 64 N 1.03 1.29 -0.32 -0.55 2.07 -1.06 -0.44 116.25 118.27 3ag1 h VAL 64 Ca 0.25 -1.23 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 3ag1 h VAL 64 Cb 0.12 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3ag1 h VAL 64 CO -0.03 0.40 -0.43 0.24 0.02 0.00 0.00 177.57 177.76 3ag1 h MET 65 N 0.42 0.82 0.00 1.57 2.86 -0.86 -1.73 114.93 118.01 3ag1 h MET 65 Ca 0.07 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3ag1 h MET 65 Cb 0.66 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3ag1 h MET 65 CO 0.04 1.08 -0.07 0.82 1.06 0.00 0.00 176.91 179.85 3ag1 h ILE 66 N 0.66 0.53 0.02 -1.22 2.04 -1.25 0.49 117.51 118.77 3ag1 h ILE 66 Ca 0.04 -1.41 -0.23 0.00 1.00 0.00 0.00 64.86 64.26 3ag1 h ILE 66 Cb 1.01 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3ag1 h ILE 66 CO 0.10 0.18 -1.11 -0.26 0.00 0.00 0.00 178.15 177.06 3ag1 h PHE 67 N -1.00 0.06 0.00 1.37 0.04 -1.19 -2.66 116.94 113.57 3ag1 h PHE 67 Ca -0.01 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3ag1 h PHE 67 Cb 0.35 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3ag1 h PHE 67 CO 0.07 1.04 -0.73 1.19 -0.60 0.00 0.00 178.31 179.27 3ag1 n PHE 68 N -3.34 0.00 0.00 -0.55 3.72 -0.82 -4.34 117.46 112.13 3ag1 n PHE 68 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3ag1 n PHE 68 Cb 0.96 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3ag1 n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3ag1 n MET 69 N -1.39 0.02 0.07 -1.08 1.56 -0.71 -4.16 117.12 111.42 3ag1 n MET 69 Ca 0.01 0.01 -0.13 0.00 -0.27 0.00 0.00 57.70 57.33 3ag1 n MET 69 Cb 0.21 -0.23 -0.07 0.00 2.15 0.00 0.00 33.22 35.27 3ag1 n MET 69 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ag1 h VAL 70 N -0.04 0.93 -0.13 1.12 2.07 -0.96 -2.53 116.25 116.71 3ag1 h VAL 70 Ca 0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 3ag1 h VAL 70 Cb 0.04 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ag1 h VAL 70 CO 0.00 0.00 -0.78 0.24 0.02 0.00 0.00 177.57 177.05 3ag1 h MET 71 N -0.09 0.76 -0.71 1.57 2.86 -1.71 -2.01 114.93 115.59 3ag1 h MET 71 Ca -0.01 -0.64 0.03 0.00 -2.06 0.00 0.00 59.70 57.02 3ag1 h MET 71 Cb 0.07 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3ag1 h MET 71 CO 0.01 1.25 0.44 -1.35 1.06 0.00 0.00 176.91 178.32 3ag1 h PRO 72 N 0.48 0.84 -0.22 -0.22 0.11 -1.75 -1.41 132.00 129.82 3ag1 h PRO 72 Ca -0.06 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 3ag1 h PRO 72 Cb 1.42 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ag1 h PRO 72 CO 0.16 0.55 -0.25 0.82 -0.21 0.00 0.00 178.00 179.08 3ag1 h ILE 73 N 0.86 1.32 0.01 4.15 2.04 -1.27 0.21 117.51 124.84 3ag1 h ILE 73 Ca 0.29 -1.42 -0.19 0.00 1.00 0.00 0.00 64.86 64.54 3ag1 h ILE 73 Cb 0.03 1.73 0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3ag1 h ILE 73 CO -0.11 0.44 -0.75 0.24 0.00 0.00 0.00 178.15 177.97 3ag1 h MET 74 N 0.25 0.48 0.00 2.37 2.86 -1.30 -0.36 114.93 119.23 3ag1 h MET 74 Ca 0.03 -0.54 -0.14 0.00 -2.06 0.00 0.00 59.70 56.99 3ag1 h MET 74 Cb 0.81 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3ag1 h MET 74 CO 0.06 1.18 -1.04 -0.89 1.06 0.00 0.00 176.91 177.28 3ag1 n ILE 75 N -4.11 1.48 -0.03 -1.22 5.41 -0.54 -2.35 119.36 118.01 3ag1 n ILE 75 Ca -0.11 0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 3ag1 n ILE 75 Cb 0.75 -2.19 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 3ag1 n ILE 75 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3ag1 h GLY 76 N -1.00 0.81 0.00 7.39 0.00 -1.36 -1.66 103.07 107.25 3ag1 h GLY 76 Ca -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.11 3ag1 h GLY 76 CO -0.13 0.90 0.00 0.61 0.00 0.00 0.00 176.54 177.92 3ag1 n GLY 77 N 0.43 -0.24 0.34 4.60 0.00 0.66 -3.03 105.19 107.95 3ag1 n GLY 77 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3ag1 n GLY 77 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ag1 h PHE 78 N 0.00 1.14 0.19 1.61 -1.00 -1.15 -1.85 116.94 115.88 3ag1 h PHE 78 Ca 0.00 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3ag1 h PHE 78 Cb 0.00 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.19 3ag1 h PHE 78 CO 0.00 0.78 -0.09 0.78 -1.61 0.00 0.00 178.31 178.17 3ag1 h GLY 79 N 1.17 -0.26 0.66 -1.45 0.00 -0.90 0.22 103.07 102.51 3ag1 h GLY 79 Ca 0.30 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.77 3ag1 h GLY 79 CO -0.05 -0.09 0.11 3.43 0.00 0.00 0.00 176.54 179.93 3ag1 h ASN 80 N -0.38 0.10 -0.04 0.19 2.35 -1.46 -1.33 115.58 115.02 3ag1 h ASN 80 Ca -0.03 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ag1 h ASN 80 Cb 0.30 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3ag1 h ASN 80 CO 0.04 0.09 0.01 -0.50 -1.65 0.00 0.00 177.43 175.43 3ag1 h TRP 81 N 0.25 0.06 0.04 1.19 4.06 -1.31 -3.39 115.95 116.85 3ag1 h TRP 81 Ca 0.16 -0.01 -0.36 0.00 2.06 0.00 0.00 58.89 60.75 3ag1 h TRP 81 Cb 0.15 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.25 3ag1 h TRP 81 CO -0.15 0.23 -2.15 1.28 -3.56 0.00 0.00 178.44 174.08 3ag1 n LEU 82 N -4.96 1.87 -0.00 -4.49 4.77 0.06 -4.18 117.00 110.06 3ag1 n LEU 82 Ca -0.07 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 3ag1 n LEU 82 Cb 0.12 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 3ag1 n LEU 82 CO 0.34 0.72 0.91 0.58 -1.33 0.00 0.00 177.39 178.60 3ag1 h VAL 83 N 0.02 1.03 -0.41 4.08 2.07 -1.39 0.15 116.25 121.80 3ag1 h VAL 83 Ca -0.47 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3ag1 h VAL 83 Cb 2.03 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3ag1 h VAL 83 CO 0.02 0.03 0.16 -0.65 0.02 0.00 0.00 177.57 177.15 3ag1 h PRO 84 N 0.13 0.58 0.00 1.57 0.11 -1.78 -2.57 132.00 130.04 3ag1 h PRO 84 Ca 0.04 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3ag1 h PRO 84 Cb -0.01 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3ag1 h PRO 84 CO -0.01 0.49 -0.55 -0.07 -0.21 0.00 0.00 178.00 177.65 3ag1 h LEU 85 N 0.58 0.00 -0.49 2.35 3.38 -1.47 -0.84 115.31 118.82 3ag1 h LEU 85 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ag1 h LEU 85 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ag1 h LEU 85 CO -0.01 0.55 0.00 0.24 0.09 0.00 0.00 178.44 179.30 3ag1 h MET 86 N 0.00 0.00 -0.02 1.13 2.86 -0.33 -3.30 114.93 115.27 3ag1 h MET 86 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ag1 h MET 86 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3ag1 h MET 86 CO 0.07 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.48 3ag1 n ILE 87 N -3.06 0.96 -2.72 -1.22 -5.35 -1.14 -4.75 119.36 102.08 3ag1 n ILE 87 Ca 0.03 -0.98 -0.12 0.00 -0.27 0.00 0.00 62.75 61.41 3ag1 n ILE 87 Cb 0.45 0.52 0.02 0.00 -1.74 0.00 0.00 39.64 38.89 3ag1 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag1 n GLY 88 N -0.42 0.03 3.89 3.28 0.00 -0.62 -4.10 105.19 107.25 3ag1 n GLY 88 Ca 0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3ag1 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s ALA 89 N -2.91 3.92 -0.42 4.61 0.00 -0.42 -4.63 121.76 121.90 3ag1 s ALA 89 Ca 0.18 -0.83 0.25 0.00 0.00 0.00 0.00 51.96 51.56 3ag1 s ALA 89 Cb -0.08 -1.79 0.59 0.00 0.00 0.00 0.00 23.12 21.83 3ag1 s ALA 89 CO 0.22 0.78 1.70 -1.00 0.00 0.00 0.00 175.76 177.46 3ag1 h PRO 90 N 3.46 0.00 0.00 0.00 0.13 -1.79 -3.42 132.00 130.37 3ag1 h PRO 90 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ag1 h PRO 90 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ag1 h PRO 90 CO 0.71 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.01 3ag1 n ASP 91 N -2.91 0.00 -4.85 1.44 -0.08 -1.26 -4.58 116.55 104.31 3ag1 n ASP 91 Ca 0.04 -0.76 -0.31 0.00 -1.51 0.00 0.00 54.79 52.25 3ag1 n ASP 91 Cb 0.47 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.96 3ag1 n ASP 91 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3ag1 s MET 92 N -1.29 3.25 0.24 -0.67 -1.94 -1.26 -4.88 119.30 112.75 3ag1 s MET 92 Ca 0.00 0.80 -0.06 0.00 -1.71 0.00 0.00 55.69 54.73 3ag1 s MET 92 Cb 0.00 -2.04 0.33 0.00 2.01 0.00 0.00 34.83 35.13 3ag1 s MET 92 CO 0.00 -0.84 1.84 0.00 -0.01 0.00 0.00 175.02 176.01 3ag1 h ALA 93 N -0.52 1.14 -2.69 3.03 0.00 -1.92 -3.33 119.26 114.97 3ag1 h ALA 93 Ca -0.44 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.86 3ag1 h ALA 93 Cb 1.20 -0.21 -0.41 0.00 0.00 0.00 0.00 17.79 18.37 3ag1 h ALA 93 CO 0.60 0.22 -0.64 1.19 0.00 0.00 0.00 179.25 180.62 3ag1 n PHE 94 N -4.66 2.78 0.25 0.00 3.72 -1.26 -4.96 117.46 113.34 3ag1 n PHE 94 Ca 0.12 -4.13 0.15 0.00 -0.05 0.00 0.00 57.45 53.54 3ag1 n PHE 94 Cb 0.19 -0.51 0.53 0.00 -0.94 0.00 0.00 39.48 38.75 3ag1 n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ag1 h PRO 95 N 4.98 0.00 0.12 -1.08 0.11 -1.89 -1.70 132.00 132.53 3ag1 h PRO 95 Ca 0.17 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 3ag1 h PRO 95 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3ag1 h PRO 95 CO 0.71 0.05 -1.43 -0.09 -0.21 0.00 0.00 178.00 177.02 3ag1 h ARG 96 N 0.00 0.26 -0.68 1.05 2.43 -1.87 -3.27 114.38 112.29 3ag1 h ARG 96 Ca -0.00 -0.44 0.14 0.00 -0.81 0.00 0.00 59.98 58.87 3ag1 h ARG 96 Cb 0.67 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3ag1 h ARG 96 CO 0.01 1.21 0.46 1.98 -1.51 0.00 0.00 179.97 182.12 3ag1 h MET 97 N -0.27 0.33 -0.62 0.20 4.05 -1.91 -1.35 114.93 115.36 3ag1 h MET 97 Ca -0.30 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 3ag1 h MET 97 Cb 1.79 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.48 3ag1 h MET 97 CO 0.07 0.22 0.41 -0.97 0.23 0.00 0.00 176.91 176.87 3ag1 h ASN 98 N 0.34 0.68 0.60 1.39 -1.24 -1.38 -1.28 115.58 114.69 3ag1 h ASN 98 Ca 0.33 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.20 3ag1 h ASN 98 Cb 0.82 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3ag1 h ASN 98 CO -0.09 0.49 -0.61 -1.13 -1.29 0.00 0.00 177.43 174.80 3ag1 h ASN 99 N 0.80 0.01 0.25 1.15 -1.24 -1.30 -2.58 115.58 112.67 3ag1 h ASN 99 Ca 0.23 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.14 3ag1 h ASN 99 Cb -0.04 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3ag1 h ASN 99 CO -0.06 0.62 -0.41 -0.03 -1.29 0.00 0.00 177.43 176.27 3ag1 h MET 100 N 0.01 0.21 -0.66 6.67 4.05 -1.16 -1.51 114.93 122.53 3ag1 h MET 100 Ca -0.01 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.33 3ag1 h MET 100 Cb 1.08 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.84 3ag1 h MET 100 CO 0.08 0.59 0.43 0.77 0.23 0.00 0.00 176.91 179.01 3ag1 h SER 101 N 0.18 0.74 -0.12 1.39 0.02 -0.99 -1.60 113.55 113.17 3ag1 h SER 101 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ag1 h SER 101 Cb 0.80 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3ag1 h SER 101 CO 0.06 0.53 0.04 0.15 -1.14 0.00 0.00 176.83 176.48 3ag1 h PHE 102 N 0.88 0.19 0.00 3.45 3.57 -1.27 -3.32 116.94 120.44 3ag1 h PHE 102 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3ag1 h PHE 102 Cb -0.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3ag1 h PHE 102 CO -0.03 0.31 0.00 0.91 -2.23 0.00 0.00 178.31 177.26 3ag1 n TRP 103 N -4.88 0.88 0.24 0.41 7.02 -0.59 -1.94 117.44 118.57 3ag1 n TRP 103 Ca -0.05 0.31 0.11 0.00 -1.02 0.00 0.00 57.50 56.85 3ag1 n TRP 103 Cb 0.13 -1.01 0.53 0.00 -2.42 0.00 0.00 31.31 28.55 3ag1 n TRP 103 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3ag1 h LEU 104 N 0.00 0.00 0.03 -0.99 3.38 -1.40 -3.35 115.31 112.97 3ag1 h LEU 104 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3ag1 h LEU 104 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 3ag1 h LEU 104 CO 0.00 0.18 -0.85 -0.07 0.09 0.00 0.00 178.44 177.79 3ag1 h LEU 105 N 0.00 0.70 -0.03 1.67 3.38 -1.55 -2.03 115.31 117.45 3ag1 h LEU 105 Ca -0.00 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.20 3ag1 h LEU 105 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ag1 h LEU 105 CO 0.02 1.39 -0.02 -0.65 0.09 0.00 0.00 178.44 179.27 3ag1 h PRO 106 N 0.09 -0.03 -0.98 1.13 0.11 -1.73 -0.21 132.00 130.39 3ag1 h PRO 106 Ca -0.11 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.14 3ag1 h PRO 106 Cb 1.55 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.58 3ag1 h PRO 106 CO 0.17 -0.02 0.61 -1.35 -0.21 0.00 0.00 178.00 177.20 3ag1 h PRO 107 N -0.03 0.83 -0.68 1.05 0.11 -1.73 0.99 132.00 132.53 3ag1 h PRO 107 Ca 0.02 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3ag1 h PRO 107 Cb 0.06 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3ag1 h PRO 107 CO -0.04 0.55 0.18 1.03 -0.21 0.00 0.00 178.00 179.51 3ag1 h SER 108 N 0.86 1.03 -0.36 -2.05 0.87 -1.11 -1.25 113.55 111.53 3ag1 h SER 108 Ca 0.50 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3ag1 h SER 108 Cb 0.66 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3ag1 h SER 108 CO -0.27 0.99 -0.27 0.15 -0.53 0.00 0.00 176.83 176.89 3ag1 h PHE 109 N 1.02 0.98 -0.45 2.24 -0.00 -0.33 -2.79 116.94 117.60 3ag1 h PHE 109 Ca 0.22 -0.27 0.06 0.00 -0.00 0.00 0.00 57.97 57.98 3ag1 h PHE 109 Cb 0.35 -0.21 -0.06 0.00 -0.00 0.00 0.00 35.95 36.03 3ag1 h PHE 109 CO 0.03 1.05 0.13 1.25 -0.00 0.00 0.00 178.31 180.77 3ag1 h LEU 110 N 0.62 0.11 -1.19 0.59 5.85 -0.39 -0.80 115.31 120.09 3ag1 h LEU 110 Ca 0.07 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3ag1 h LEU 110 Cb 0.85 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3ag1 h LEU 110 CO 0.07 0.09 0.57 -0.07 -0.34 0.00 0.00 178.44 178.77 3ag1 h LEU 111 N 0.29 0.83 -0.33 2.25 3.38 -1.12 0.87 115.31 121.48 3ag1 h LEU 111 Ca 0.22 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3ag1 h LEU 111 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ag1 h LEU 111 CO -0.25 0.51 -0.27 0.25 0.09 0.00 0.00 178.44 178.78 3ag1 h LEU 112 N 0.93 0.80 -0.63 1.67 5.85 -1.10 -2.03 115.31 120.81 3ag1 h LEU 112 Ca 0.39 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3ag1 h LEU 112 Cb 0.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3ag1 h LEU 112 CO -0.16 1.08 0.13 -0.07 -0.34 0.00 0.00 178.44 179.08 3ag1 h LEU 113 N 0.53 0.98 -1.57 2.25 3.38 -0.70 -2.40 115.31 117.78 3ag1 h LEU 113 Ca 0.06 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3ag1 h LEU 113 Cb 0.83 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3ag1 h LEU 113 CO 0.07 0.98 0.41 0.00 0.09 0.00 0.00 178.44 179.99 3ag1 h ALA 114 N 1.04 1.92 -0.04 1.53 0.00 -0.76 -2.23 119.26 120.71 3ag1 h ALA 114 Ca 0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3ag1 h ALA 114 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ag1 h ALA 114 CO 0.01 -0.04 -0.52 0.66 0.00 0.00 0.00 179.25 179.35 3ag1 h SER 115 N 0.50 0.12 1.07 0.00 4.64 -0.84 -1.59 113.55 117.45 3ag1 h SER 115 Ca 0.28 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ag1 h SER 115 Cb 0.44 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ag1 h SER 115 CO -0.08 0.62 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.88 3ag1 n SER 116 N -3.93 0.28 0.04 4.97 3.41 -0.86 -3.85 113.62 113.68 3ag1 n SER 116 Ca -0.02 0.43 -0.22 0.00 -0.26 0.00 0.00 58.87 58.80 3ag1 n SER 116 Cb 0.54 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 3ag1 n SER 116 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3ag1 h MET 117 N 0.00 0.33 -6.70 4.33 2.86 -1.12 -3.41 114.93 111.22 3ag1 h MET 117 Ca 0.00 -0.56 -0.50 0.00 -2.06 0.00 0.00 59.70 56.58 3ag1 h MET 117 Cb 0.57 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 3ag1 h MET 117 CO 0.00 1.27 0.02 0.14 1.06 0.00 0.00 176.91 179.39 3ag1 s VAL 118 N -2.56 4.87 0.00 -2.22 -7.23 -0.67 -4.91 120.40 107.68 3ag1 s VAL 118 Ca -0.19 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 3ag1 s VAL 118 Cb 0.06 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.27 3ag1 s VAL 118 CO 0.81 -0.42 0.00 -0.62 -0.31 0.00 0.00 175.10 174.56 3ag1 n GLU 119 N -1.10 0.00 -0.74 4.82 -0.58 -1.26 -1.92 120.64 119.87 3ag1 n GLU 119 Ca 0.01 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.80 3ag1 n GLU 119 Cb 0.54 0.00 0.33 0.00 -0.57 0.00 0.00 31.44 31.74 3ag1 n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ag1 n ALA 120 N 7.14 3.65 -0.46 0.62 0.00 -1.26 -5.09 120.51 125.11 3ag1 n ALA 120 Ca 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 53.44 51.31 3ag1 n ALA 120 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 3ag1 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag1 n GLY 121 N -0.01 -1.86 3.30 0.00 0.00 -0.81 -4.71 105.19 101.11 3ag1 n GLY 121 Ca 0.27 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 3ag1 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s ALA 122 N -1.96 3.55 -0.88 4.61 0.00 -1.26 -4.82 121.76 121.01 3ag1 s ALA 122 Ca 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 51.96 49.56 3ag1 s ALA 122 Cb 0.00 -3.08 0.33 0.00 0.00 0.00 0.00 23.12 20.37 3ag1 s ALA 122 CO 0.00 -1.90 1.55 0.41 0.00 0.00 0.00 175.76 175.82 3ag1 n GLY 123 N 5.14 5.97 0.00 0.00 0.00 -1.26 -4.24 105.19 110.80 3ag1 n GLY 123 Ca -0.12 -2.65 0.05 0.00 0.00 0.00 0.00 46.02 43.30 3ag1 n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag1 n THR 124 N -0.14 0.00 0.00 2.61 -2.24 -1.26 -4.77 114.28 108.48 3ag1 n THR 124 Ca 0.42 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3ag1 n THR 124 Cb 0.30 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3ag1 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag1 n GLY 125 N 1.49 -2.63 0.00 3.38 0.00 -1.26 -3.94 105.19 102.22 3ag1 n GLY 125 Ca 0.00 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.73 3ag1 n GLY 125 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ag1 n TRP 126 N -1.79 0.00 0.17 1.61 4.27 -1.26 -1.70 117.44 118.73 3ag1 n TRP 126 Ca 0.00 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.69 3ag1 n TRP 126 Cb 0.00 -0.40 0.08 0.00 -1.36 0.00 0.00 31.31 29.63 3ag1 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3ag1 h THR 127 N 0.00 0.32 -6.38 -1.67 1.35 -1.98 -3.48 112.91 101.07 3ag1 h THR 127 Ca 0.00 -1.47 -0.48 0.00 -0.55 0.00 0.00 66.41 63.91 3ag1 h THR 127 Cb 0.30 2.09 -0.05 0.00 -1.73 0.00 0.00 68.15 68.75 3ag1 h THR 127 CO 0.00 0.18 -0.83 0.52 -0.25 0.00 0.00 175.52 175.14 3ag1 n VAL 128 N -3.08 -2.85 -1.84 6.82 0.31 -0.69 -4.92 118.33 112.08 3ag1 n VAL 128 Ca 0.02 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.63 3ag1 n VAL 128 Cb 0.62 -2.84 -0.02 0.00 -0.91 0.00 0.00 33.84 30.69 3ag1 n VAL 128 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag1 s TYR 129 N -3.62 2.87 0.54 3.52 4.12 -1.26 -4.71 117.35 118.81 3ag1 s TYR 129 Ca 0.28 0.76 -0.16 0.00 0.02 0.00 0.00 57.07 57.97 3ag1 s TYR 129 Cb -0.15 -4.01 -0.07 0.00 -1.52 0.00 0.00 41.96 36.22 3ag1 s TYR 129 CO 0.86 -3.47 1.00 -1.25 0.02 0.00 0.00 175.55 172.72 3ag1 s PRO 130 N -0.05 3.78 0.01 -1.71 0.04 -1.26 -0.44 135.00 135.36 3ag1 s PRO 130 Ca 0.65 1.01 0.29 0.00 0.04 0.00 0.00 61.00 62.99 3ag1 s PRO 130 Cb -0.46 -2.11 1.23 0.00 0.04 0.00 0.00 34.50 33.19 3ag1 s PRO 130 CO 0.43 -0.41 1.92 -2.30 0.04 0.00 0.00 177.00 176.68 3ag1 n PRO 131 N -1.72 0.01 -0.29 0.56 -0.02 -1.26 -4.82 135.00 127.46 3ag1 n PRO 131 Ca 0.07 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3ag1 n PRO 131 Cb 0.54 -1.51 0.39 0.00 -0.02 0.00 0.00 33.50 32.89 3ag1 n PRO 131 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag1 h LEU 132 N 0.00 0.65 -0.13 2.45 5.85 -1.91 0.85 115.31 123.08 3ag1 h LEU 132 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ag1 h LEU 132 Cb 0.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ag1 h LEU 132 CO 0.00 0.29 -0.02 0.00 -0.34 0.00 0.00 178.44 178.37 3ag1 n ALA 133 N -2.42 2.64 -1.94 1.25 0.00 0.42 -3.65 120.51 116.80 3ag1 n ALA 133 Ca 0.19 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 3ag1 n ALA 133 Cb 0.54 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.71 3ag1 n ALA 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ag1 s GLY 134 N -2.23 1.77 0.00 0.00 0.00 0.29 -4.74 107.32 102.41 3ag1 s GLY 134 Ca 0.39 -1.28 0.24 0.00 0.00 0.00 0.00 44.72 44.06 3ag1 s GLY 134 CO 0.41 -0.56 1.83 1.16 0.00 0.00 0.00 173.10 175.94 3ag1 n ASN 135 N -3.57 0.00 -0.10 1.64 0.23 -1.26 -0.77 115.26 111.43 3ag1 n ASN 135 Ca 0.15 -0.99 -0.20 0.00 -0.53 0.00 0.00 54.58 53.01 3ag1 n ASN 135 Cb 0.60 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.23 3ag1 n ASN 135 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3ag1 n LEU 136 N -0.93 1.68 0.27 -4.53 7.94 -1.26 -3.49 117.00 116.68 3ag1 n LEU 136 Ca 0.18 0.29 0.16 0.00 -1.11 0.00 0.00 56.01 55.53 3ag1 n LEU 136 Cb 0.08 -0.68 0.62 0.00 0.53 0.00 0.00 43.42 43.98 3ag1 n LEU 136 CO 0.13 0.24 0.96 0.00 -1.11 0.00 0.00 177.39 177.61 3ag1 h ALA 137 N -0.83 1.00 -1.84 1.96 0.00 -1.74 -3.33 119.26 114.47 3ag1 h ALA 137 Ca -0.42 -0.02 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 3ag1 h ALA 137 Cb 1.31 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.70 3ag1 h ALA 137 CO -0.25 0.03 -1.15 0.72 0.00 0.00 0.00 179.25 178.60 3ag1 n HIS 138 N -3.12 0.72 -1.87 0.00 8.25 0.05 -4.97 115.22 114.28 3ag1 n HIS 138 Ca 0.01 -3.65 -0.39 0.00 -0.26 0.00 0.00 57.72 53.43 3ag1 n HIS 138 Cb 0.33 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.05 3ag1 n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ag1 s ALA 139 N -2.65 3.03 0.00 -1.41 0.00 -1.23 -4.54 121.76 114.96 3ag1 s ALA 139 Ca 0.39 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3ag1 s ALA 139 Cb 0.36 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3ag1 s ALA 139 CO -0.07 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3ag1 n GLY 140 N 0.64 -1.37 0.06 0.00 0.00 -1.26 -4.81 105.19 98.46 3ag1 n GLY 140 Ca 0.07 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.11 3ag1 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 n ALA 141 N -0.17 2.94 -0.10 4.61 0.00 -1.26 -4.35 120.51 122.17 3ag1 n ALA 141 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 3ag1 n ALA 141 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3ag1 n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ag1 h SER 142 N 0.00 -0.22 0.46 0.00 0.02 -1.85 -0.54 113.55 111.41 3ag1 h SER 142 Ca 0.00 0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 3ag1 h SER 142 Cb 0.86 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3ag1 h SER 142 CO 0.00 -0.07 -0.57 0.58 -1.14 0.00 0.00 176.83 175.63 3ag1 h VAL 143 N 0.05 1.39 -0.43 2.27 2.07 -1.86 -2.13 116.25 117.61 3ag1 h VAL 143 Ca 0.17 -1.93 -0.11 0.00 0.82 0.00 0.00 66.70 65.65 3ag1 h VAL 143 Cb 0.25 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3ag1 h VAL 143 CO -0.32 0.56 -0.17 0.44 0.02 0.00 0.00 177.57 178.10 3ag1 h ASP 144 N 0.09 0.84 -0.19 0.57 3.45 -1.57 -0.39 116.42 119.22 3ag1 h ASP 144 Ca -0.00 -0.29 -0.07 0.00 0.43 0.00 0.00 57.03 57.10 3ag1 h ASP 144 Cb 1.03 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 3ag1 h ASP 144 CO 0.08 1.00 -0.08 -0.07 -1.57 0.00 0.00 179.24 178.60 3ag1 h LEU 145 N 0.74 0.51 -0.17 1.55 3.38 -0.90 -0.98 115.31 119.44 3ag1 h LEU 145 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3ag1 h LEU 145 Cb 0.69 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ag1 h LEU 145 CO 0.05 0.64 -0.16 0.74 0.09 0.00 0.00 178.44 179.80 3ag1 h THR 146 N 0.50 1.34 -0.53 0.22 2.02 -0.92 0.83 112.91 116.36 3ag1 h THR 146 Ca 0.10 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3ag1 h THR 146 Cb 0.45 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3ag1 h THR 146 CO 0.02 0.39 0.31 0.40 0.37 0.00 0.00 175.52 177.02 3ag1 h ILE 147 N 0.04 1.17 -0.46 3.11 2.04 -0.66 -2.19 117.51 120.56 3ag1 h ILE 147 Ca 0.03 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3ag1 h ILE 147 Cb 0.69 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3ag1 h ILE 147 CO 0.04 0.17 0.00 -0.26 0.00 0.00 0.00 178.15 178.10 3ag1 h PHE 148 N 0.71 0.79 -0.75 1.37 0.04 -1.08 0.04 116.94 118.06 3ag1 h PHE 148 Ca 0.19 -0.11 0.10 0.00 2.80 0.00 0.00 57.97 60.96 3ag1 h PHE 148 Cb 0.00 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 37.86 3ag1 h PHE 148 CO -0.02 0.74 0.38 1.03 -0.60 0.00 0.00 178.31 179.84 3ag1 h SER 149 N 0.70 0.49 0.16 2.17 0.87 -0.38 -2.17 113.55 115.38 3ag1 h SER 149 Ca 0.14 0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 3ag1 h SER 149 Cb 0.43 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3ag1 h SER 149 CO 0.02 0.26 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.87 3ag1 h LEU 150 N 0.62 0.53 -0.24 2.23 3.38 -0.97 -2.43 115.31 118.44 3ag1 h LEU 150 Ca 0.38 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3ag1 h LEU 150 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3ag1 h LEU 150 CO -0.29 1.04 0.02 0.45 0.09 0.00 0.00 178.44 179.74 3ag1 h HIS 151 N 0.34 0.02 -0.18 1.13 3.86 -0.42 -0.57 115.15 119.33 3ag1 h HIS 151 Ca -0.01 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 3ag1 h HIS 151 Cb 1.20 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 3ag1 h HIS 151 CO 0.04 -0.01 -0.35 -0.07 0.86 0.00 0.00 177.93 178.39 3ag1 h LEU 152 N 0.10 0.38 -0.58 2.43 3.38 -1.27 -1.18 115.31 118.57 3ag1 h LEU 152 Ca 0.11 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3ag1 h LEU 152 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ag1 h LEU 152 CO -0.17 0.71 -0.64 0.00 0.09 0.00 0.00 178.44 178.43 3ag1 h ALA 153 N 1.31 0.78 -0.20 1.53 0.00 -1.36 -1.19 119.26 120.14 3ag1 h ALA 153 Ca 0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 3ag1 h ALA 153 Cb 0.78 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ag1 h ALA 153 CO 0.06 0.74 -0.69 0.78 0.00 0.00 0.00 179.25 180.14 3ag1 h GLY 154 N 1.44 0.88 0.93 0.00 0.00 -0.67 -2.49 103.07 103.16 3ag1 h GLY 154 Ca -0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 47.33 46.11 3ag1 h GLY 154 CO 0.10 1.03 0.03 -2.08 0.00 0.00 0.00 176.54 175.62 3ag1 h VAL 155 N 0.57 1.25 -0.45 4.60 2.07 -1.17 -0.80 116.25 122.32 3ag1 h VAL 155 Ca -0.03 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.65 3ag1 h VAL 155 Cb 1.31 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 3ag1 h VAL 155 CO 0.14 0.31 -0.03 -1.28 0.02 0.00 0.00 177.57 176.74 3ag1 h SER 156 N 0.48 -0.25 0.21 0.57 0.87 -1.17 -1.64 113.55 112.62 3ag1 h SER 156 Ca 0.11 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3ag1 h SER 156 Cb 0.42 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 3ag1 h SER 156 CO 0.01 -0.08 -0.47 0.28 -0.53 0.00 0.00 176.83 176.04 3ag1 h SER 157 N 0.08 0.33 -0.26 6.23 0.02 -1.31 -1.03 113.55 117.60 3ag1 h SER 157 Ca 0.22 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 3ag1 h SER 157 Cb 0.33 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ag1 h SER 157 CO -0.40 0.75 -0.48 0.40 -1.14 0.00 0.00 176.83 175.96 3ag1 h ILE 158 N 0.25 1.29 -0.38 3.27 2.04 -0.90 -0.13 117.51 122.95 3ag1 h ILE 158 Ca 0.02 -1.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.07 3ag1 h ILE 158 Cb 0.92 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3ag1 h ILE 158 CO 0.08 0.54 -0.30 -0.07 0.00 0.00 0.00 178.15 178.40 3ag1 h LEU 159 N 0.54 0.85 -1.04 1.44 3.38 -1.19 -1.56 115.31 117.73 3ag1 h LEU 159 Ca 0.01 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ag1 h LEU 159 Cb 1.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3ag1 h LEU 159 CO 0.11 1.08 0.64 1.23 0.09 0.00 0.00 178.44 181.60 3ag1 h GLY 160 N 0.92 1.41 1.00 0.83 0.00 -1.01 -1.96 103.07 104.27 3ag1 h GLY 160 Ca 0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3ag1 h GLY 160 CO 0.07 0.44 -0.18 0.00 0.00 0.00 0.00 176.54 176.87 3ag1 h ALA 161 N 1.42 0.53 -0.50 3.60 0.00 -0.72 0.19 119.26 123.78 3ag1 h ALA 161 Ca 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 161 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ag1 h ALA 161 CO -0.11 0.47 0.23 0.82 0.00 0.00 0.00 179.25 180.66 3ag1 h ILE 162 N 0.59 1.20 -0.13 0.00 2.04 -1.15 -0.29 117.51 119.76 3ag1 h ILE 162 Ca 0.08 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3ag1 h ILE 162 Cb 0.73 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3ag1 h ILE 162 CO 0.06 0.22 -0.13 -1.13 0.00 0.00 0.00 178.15 177.16 3ag1 h ASN 163 N 0.67 -0.42 -0.36 1.72 -0.73 -0.81 -1.84 115.58 113.81 3ag1 h ASN 163 Ca 0.17 0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.34 3ag1 h ASN 163 Cb 0.14 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 3ag1 h ASN 163 CO -0.02 -0.18 -0.12 -0.26 -0.37 0.00 0.00 177.43 176.49 3ag1 h PHE 164 N -0.16 0.80 -0.56 0.67 -1.00 -0.75 -0.40 116.94 115.55 3ag1 h PHE 164 Ca 0.09 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 3ag1 h PHE 164 Cb 0.29 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3ag1 h PHE 164 CO -0.26 0.88 0.23 0.82 -1.61 0.00 0.00 178.31 178.37 3ag1 h ILE 165 N 0.50 1.22 -0.56 -0.55 2.04 -1.03 -2.15 117.51 116.97 3ag1 h ILE 165 Ca 0.09 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3ag1 h ILE 165 Cb 0.64 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3ag1 h ILE 165 CO 0.04 0.26 0.01 0.74 0.00 0.00 0.00 178.15 179.21 3ag1 h THR 166 N 0.77 1.26 -0.06 -0.27 2.02 -1.15 -1.84 112.91 113.63 3ag1 h THR 166 Ca 0.19 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3ag1 h THR 166 Cb 0.19 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ag1 h THR 166 CO -0.02 0.39 0.01 0.74 0.37 0.00 0.00 175.52 177.01 3ag1 h THR 167 N 0.88 1.22 -0.24 3.16 2.02 -0.94 0.72 112.91 119.73 3ag1 h THR 167 Ca 0.16 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3ag1 h THR 167 Cb 0.50 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3ag1 h THR 167 CO 0.02 0.19 -0.23 0.40 0.37 0.00 0.00 175.52 176.27 3ag1 h ILE 168 N -0.15 1.26 0.07 3.11 2.04 -1.24 0.12 117.51 122.72 3ag1 h ILE 168 Ca 0.02 -1.20 -0.28 0.00 1.00 0.00 0.00 64.86 64.39 3ag1 h ILE 168 Cb 0.29 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3ag1 h ILE 168 CO 0.00 0.38 -1.48 0.40 0.00 0.00 0.00 178.15 177.45 3ag1 h ILE 169 N 0.39 1.18 0.00 -0.67 1.08 -1.31 -3.41 117.51 114.77 3ag1 h ILE 169 Ca 0.06 -2.89 -0.10 0.00 -0.39 0.00 0.00 64.86 61.54 3ag1 h ILE 169 Cb 0.62 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 37.04 3ag1 h ILE 169 CO 0.04 0.78 -1.90 -3.20 -0.69 0.00 0.00 178.15 173.18 3ag1 n ASN 170 N -3.34 1.02 -1.14 1.72 5.15 0.24 -4.66 115.26 114.25 3ag1 n ASN 170 Ca -0.14 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.82 3ag1 n ASN 170 Cb 1.02 1.48 0.21 0.00 -0.53 0.00 0.00 39.78 41.97 3ag1 n ASN 170 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3ag1 n MET 171 N -2.28 2.04 -2.06 1.20 2.81 0.40 -5.00 117.12 114.24 3ag1 n MET 171 Ca -0.11 -3.11 -0.29 0.00 -1.81 0.00 0.00 57.70 52.38 3ag1 n MET 171 Cb 0.65 -1.83 0.04 0.00 -0.71 0.00 0.00 33.22 31.37 3ag1 n MET 171 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ag1 s LYS 172 N -3.17 2.97 0.30 0.03 1.02 -1.26 -4.49 119.74 115.14 3ag1 s LYS 172 Ca 0.44 0.34 -0.29 0.00 0.02 0.00 0.00 55.97 56.48 3ag1 s LYS 172 Cb 0.40 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 35.46 3ag1 s LYS 172 CO 0.02 -0.86 1.32 -2.30 -0.92 0.00 0.00 175.35 172.61 3ag1 n PRO 173 N -2.83 2.07 -0.27 -1.68 -0.02 -1.26 -4.86 135.00 126.15 3ag1 n PRO 173 Ca 0.06 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.43 3ag1 n PRO 173 Cb 0.57 -2.33 0.43 0.00 -0.02 0.00 0.00 33.50 32.15 3ag1 n PRO 173 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ag1 h PRO 174 N 3.16 0.55 0.00 0.52 0.11 -1.95 0.73 132.00 135.12 3ag1 h PRO 174 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ag1 h PRO 174 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ag1 h PRO 174 CO 0.67 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 3ag1 n ALA 175 N -2.45 1.96 -2.67 -0.75 0.00 -1.26 -4.84 120.51 110.50 3ag1 n ALA 175 Ca 0.20 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 3ag1 n ALA 175 Cb 0.61 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3ag1 n ALA 175 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3ag1 s MET 176 N -3.18 4.28 0.67 0.00 0.00 0.25 -4.93 119.30 116.39 3ag1 s MET 176 Ca 0.08 0.84 -0.09 0.00 0.00 0.00 0.00 55.69 56.52 3ag1 s MET 176 Cb 0.11 -3.56 0.02 0.00 0.00 0.00 0.00 34.83 31.40 3ag1 s MET 176 CO 0.48 -0.24 1.03 -1.54 0.00 0.00 0.00 175.02 174.75 3ag1 s SER 177 N 1.12 5.44 0.46 1.11 1.04 -1.26 -4.80 113.70 116.81 3ag1 s SER 177 Ca 0.34 0.96 0.23 0.00 0.48 0.00 0.00 55.95 57.96 3ag1 s SER 177 Cb -0.16 -1.80 1.24 0.00 0.10 0.00 0.00 66.02 65.39 3ag1 s SER 177 CO 0.12 -1.27 1.87 -0.61 0.98 0.00 0.00 173.24 174.33 3ag1 h GLN 178 N -0.50 0.24 0.00 4.02 5.75 -1.97 -0.08 115.11 122.57 3ag1 h GLN 178 Ca -0.45 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3ag1 h GLN 178 Cb 1.26 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3ag1 h GLN 178 CO 0.63 0.16 0.00 0.66 -2.65 0.00 0.00 178.83 177.63 3ag1 n TYR 179 N -4.43 0.00 -0.94 3.99 4.01 -1.26 -2.46 117.16 116.07 3ag1 n TYR 179 Ca 0.19 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.02 3ag1 n TYR 179 Cb 0.79 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.98 3ag1 n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ag1 n GLN 180 N -0.56 1.85 -3.92 -0.72 6.02 -0.04 -5.03 117.38 114.97 3ag1 n GLN 180 Ca 0.03 -2.54 -0.30 0.00 -0.01 0.00 0.00 57.00 54.17 3ag1 n GLN 180 Cb 0.01 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.70 3ag1 n GLN 180 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ag1 s THR 181 N -2.67 5.38 0.81 5.09 -4.23 -1.03 -4.92 115.64 114.06 3ag1 s THR 181 Ca 0.32 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3ag1 s THR 181 Cb 0.27 -3.65 0.08 0.00 1.34 0.00 0.00 72.50 70.54 3ag1 s THR 181 CO 0.04 0.10 1.17 -2.84 -0.54 0.00 0.00 174.62 172.55 3ag1 s PRO 182 N -2.64 1.71 0.47 3.99 0.02 -1.26 -4.82 135.00 132.47 3ag1 s PRO 182 Ca 0.35 1.61 0.13 0.00 0.02 0.00 0.00 61.00 63.10 3ag1 s PRO 182 Cb -0.13 -1.80 1.08 0.00 0.02 0.00 0.00 34.50 33.68 3ag1 s PRO 182 CO 0.28 -2.13 2.09 -0.07 -0.33 0.00 0.00 177.00 176.84 3ag1 h LEU 183 N -1.02 0.16 -0.50 -5.54 3.38 -1.98 -1.58 115.31 108.24 3ag1 h LEU 183 Ca -0.45 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 3ag1 h LEU 183 Cb 1.28 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3ag1 h LEU 183 CO 0.47 0.15 0.03 0.15 0.09 0.00 0.00 178.44 179.33 3ag1 h PHE 184 N 0.19 0.93 -0.26 1.13 3.57 -1.91 -0.72 116.94 119.88 3ag1 h PHE 184 Ca 0.05 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.42 3ag1 h PHE 184 Cb 0.03 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3ag1 h PHE 184 CO 0.00 0.87 0.11 0.28 -2.23 0.00 0.00 178.31 177.34 3ag1 h VAL 185 N 0.73 0.97 -0.80 1.41 2.07 -1.64 -1.73 116.25 117.25 3ag1 h VAL 185 Ca 0.15 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.72 3ag1 h VAL 185 Cb 0.47 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3ag1 h VAL 185 CO 0.02 0.04 0.39 -0.50 0.02 0.00 0.00 177.57 177.54 3ag1 h TRP 186 N 0.24 0.68 -0.65 1.57 4.06 -1.23 -0.10 115.95 120.53 3ag1 h TRP 186 Ca 0.11 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.02 3ag1 h TRP 186 Cb 0.05 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.01 3ag1 h TRP 186 CO -0.11 0.16 0.13 0.66 -3.56 0.00 0.00 178.44 175.72 3ag1 h SER 187 N 0.57 1.01 -0.34 -3.49 4.64 -0.59 -0.19 113.55 115.15 3ag1 h SER 187 Ca 0.43 -0.25 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 3ag1 h SER 187 Cb 0.60 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ag1 h SER 187 CO -0.36 0.99 -0.38 0.58 -0.87 0.00 0.00 176.83 176.80 3ag1 h VAL 188 N 0.98 1.28 -0.49 0.95 2.07 -0.97 -1.63 116.25 118.43 3ag1 h VAL 188 Ca 0.20 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3ag1 h VAL 188 Cb 0.40 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3ag1 h VAL 188 CO 0.01 0.51 0.32 -0.03 0.02 0.00 0.00 177.57 178.40 3ag1 h MET 189 N 0.65 0.65 -0.44 1.57 -1.53 -0.47 0.50 114.93 115.86 3ag1 h MET 189 Ca 0.05 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 3ag1 h MET 189 Cb 0.97 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.86 3ag1 h MET 189 CO 0.09 0.44 -0.04 0.82 0.14 0.00 0.00 176.91 178.36 3ag1 h ILE 190 N 0.66 1.27 -0.45 1.77 2.04 -1.04 -1.99 117.51 119.77 3ag1 h ILE 190 Ca 0.18 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.98 3ag1 h ILE 190 Cb -0.06 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3ag1 h ILE 190 CO -0.04 0.38 0.15 0.74 0.00 0.00 0.00 178.15 179.39 3ag1 h THR 191 N 0.64 0.85 -0.84 -0.27 2.02 -1.15 -1.50 112.91 112.65 3ag1 h THR 191 Ca 0.12 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3ag1 h THR 191 Cb 0.56 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3ag1 h THR 191 CO 0.03 0.06 0.54 0.00 0.37 0.00 0.00 175.52 176.52 3ag1 h ALA 192 N 1.30 1.11 -0.77 6.16 0.00 -0.73 -1.36 119.26 124.97 3ag1 h ALA 192 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ag1 h ALA 192 Cb 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ag1 h ALA 192 CO -0.22 0.37 0.37 0.28 0.00 0.00 0.00 179.25 180.05 3ag1 h VAL 193 N 1.05 1.24 -0.53 0.00 2.07 -0.73 -1.58 116.25 117.77 3ag1 h VAL 193 Ca 0.34 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3ag1 h VAL 193 Cb 0.02 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3ag1 h VAL 193 CO -0.12 0.28 -0.06 -0.07 0.02 0.00 0.00 177.57 177.63 3ag1 h LEU 194 N 1.09 0.93 -0.65 2.57 3.38 -0.49 -2.32 115.31 119.81 3ag1 h LEU 194 Ca 0.27 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ag1 h LEU 194 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3ag1 h LEU 194 CO -0.03 1.02 0.11 -0.07 0.09 0.00 0.00 178.44 179.56 3ag1 h LEU 195 N 0.86 1.03 -0.63 1.67 3.38 -1.06 -1.25 115.31 119.31 3ag1 h LEU 195 Ca 0.15 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3ag1 h LEU 195 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3ag1 h LEU 195 CO 0.04 1.03 -0.14 0.25 0.09 0.00 0.00 178.44 179.70 3ag1 h LEU 196 N 1.00 0.94 0.02 1.67 5.85 -0.97 -2.21 115.31 121.61 3ag1 h LEU 196 Ca 0.20 -0.32 -0.23 0.00 0.84 0.00 0.00 57.88 58.37 3ag1 h LEU 196 Cb 0.43 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3ag1 h LEU 196 CO 0.01 1.08 -1.14 -0.07 -0.34 0.00 0.00 178.44 177.98 3ag1 h LEU 197 N 0.83 0.06 0.00 2.25 3.38 -1.28 -3.40 115.31 117.15 3ag1 h LEU 197 Ca 0.13 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.69 3ag1 h LEU 197 Cb 0.69 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3ag1 h LEU 197 CO 0.05 1.06 -2.29 -1.54 0.09 0.00 0.00 178.44 175.81 3ag1 n SER 198 N -3.33 1.02 -0.13 -0.43 3.41 -0.49 -4.37 113.62 109.30 3ag1 n SER 198 Ca -0.04 -0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.54 3ag1 n SER 198 Cb 0.97 0.52 0.30 0.00 -0.26 0.00 0.00 64.21 65.73 3ag1 n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ag1 h LEU 199 N 0.00 0.72 -1.57 1.04 3.38 -1.60 -1.77 115.31 115.51 3ag1 h LEU 199 Ca -0.51 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3ag1 h LEU 199 Cb 2.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3ag1 h LEU 199 CO -0.01 0.55 0.00 -0.65 0.09 0.00 0.00 178.44 178.42 3ag1 h PRO 200 N 0.83 0.00 0.15 1.13 0.11 -1.77 0.74 132.00 133.20 3ag1 h PRO 200 Ca 0.22 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.08 3ag1 h PRO 200 Cb -0.05 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.09 3ag1 h PRO 200 CO -0.04 0.00 -1.09 0.28 -0.21 0.00 0.00 178.00 176.93 3ag1 h VAL 201 N 0.00 1.38 -0.06 3.15 2.07 -1.55 -1.44 116.25 119.80 3ag1 h VAL 201 Ca 0.00 -2.51 0.04 0.00 0.82 0.00 0.00 66.70 65.05 3ag1 h VAL 201 Cb 0.46 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 3ag1 h VAL 201 CO 0.00 0.74 -0.29 0.25 0.02 0.00 0.00 177.57 178.29 3ag1 h LEU 202 N -0.03 -0.86 -1.07 2.57 5.85 -0.99 -1.82 115.31 118.97 3ag1 h LEU 202 Ca -0.18 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.80 3ag1 h LEU 202 Cb 1.83 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 43.13 3ag1 h LEU 202 CO 0.21 -0.34 0.62 0.00 -0.34 0.00 0.00 178.44 178.58 3ag1 h ALA 203 N 0.43 1.63 -0.43 1.25 0.00 -0.76 -1.31 119.26 120.05 3ag1 h ALA 203 Ca 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ag1 h ALA 203 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ag1 h ALA 203 CO -0.28 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.06 3ag1 h ALA 204 N 1.58 0.59 -0.10 0.00 0.00 -0.93 -2.14 119.26 118.25 3ag1 h ALA 204 Ca 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ag1 h ALA 204 Cb 0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ag1 h ALA 204 CO -0.28 0.38 0.02 0.78 0.00 0.00 0.00 179.25 180.16 3ag1 h GLY 205 N 0.61 0.17 2.00 0.00 0.00 -0.44 -2.00 103.07 103.42 3ag1 h GLY 205 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3ag1 h GLY 205 CO 0.02 0.10 -0.30 0.16 0.00 0.00 0.00 176.54 176.53 3ag1 h ILE 206 N -0.05 0.75 -0.48 2.60 3.07 -1.35 -1.07 117.51 120.96 3ag1 h ILE 206 Ca 0.03 -1.27 -0.08 0.00 1.55 0.00 0.00 64.86 65.09 3ag1 h ILE 206 Cb 0.26 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 3ag1 h ILE 206 CO 0.00 0.29 -0.02 0.74 -1.05 0.00 0.00 178.15 178.11 3ag1 h THR 207 N 0.00 1.25 -0.06 0.16 2.02 -1.13 0.09 112.91 115.24 3ag1 h THR 207 Ca -0.00 -1.05 -0.18 0.00 0.77 0.00 0.00 66.41 65.94 3ag1 h THR 207 Cb 0.78 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3ag1 h THR 207 CO 0.04 0.37 -0.74 0.24 0.37 0.00 0.00 175.52 175.80 3ag1 h MET 208 N 0.76 0.35 -0.37 6.66 2.86 -1.09 -0.66 114.93 123.44 3ag1 h MET 208 Ca 0.14 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3ag1 h MET 208 Cb 0.49 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3ag1 h MET 208 CO 0.02 0.94 0.13 1.25 1.06 0.00 0.00 176.91 180.31 3ag1 h LEU 209 N 0.23 0.52 -0.77 1.22 5.85 -0.88 -0.33 115.31 121.15 3ag1 h LEU 209 Ca -0.03 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3ag1 h LEU 209 Cb 1.31 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3ag1 h LEU 209 CO 0.12 0.58 0.44 0.25 -0.34 0.00 0.00 178.44 179.49 3ag1 h LEU 210 N 0.44 0.65 -0.25 2.25 5.85 -0.65 -0.92 115.31 122.68 3ag1 h LEU 210 Ca 0.12 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.67 3ag1 h LEU 210 Cb 0.23 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3ag1 h LEU 210 CO -0.01 0.40 -0.67 0.71 -0.34 0.00 0.00 178.44 178.54 3ag1 h THR 211 N 0.78 1.28 -0.91 1.05 1.35 -0.99 -0.82 112.91 114.66 3ag1 h THR 211 Ca 0.36 -1.87 0.14 0.00 -0.55 0.00 0.00 66.41 64.48 3ag1 h THR 211 Cb 0.26 1.82 -0.07 0.00 -1.73 0.00 0.00 68.15 68.43 3ag1 h THR 211 CO -0.21 0.60 0.58 0.44 -0.25 0.00 0.00 175.52 176.68 3ag1 h ASP 212 N 0.58 0.71 1.35 5.36 3.45 -0.72 0.64 116.42 127.79 3ag1 h ASP 212 Ca -0.02 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3ag1 h ASP 212 Cb 1.28 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.93 3ag1 h ASP 212 CO 0.14 0.37 -0.53 0.03 -1.57 0.00 0.00 179.24 177.67 3ag1 h ARG 213 N 0.76 0.00 0.00 3.56 3.08 -0.89 -3.39 114.38 117.50 3ag1 h ARG 213 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3ag1 h ARG 213 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ag1 h ARG 213 CO -0.21 0.53 -0.23 0.09 -1.07 0.00 0.00 179.97 179.08 3ag1 n ASN 214 N -3.28 1.16 -0.04 7.04 3.02 -0.34 -4.80 115.26 118.02 3ag1 n ASN 214 Ca 0.01 -0.06 0.04 0.00 -0.03 0.00 0.00 54.58 54.55 3ag1 n ASN 214 Cb 0.72 0.36 0.06 0.00 -0.61 0.00 0.00 39.78 40.31 3ag1 n ASN 214 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ag1 n LEU 215 N -0.47 2.04 -0.98 3.41 4.77 0.22 -4.98 117.00 121.01 3ag1 n LEU 215 Ca 0.00 -2.40 -0.13 0.00 -0.03 0.00 0.00 56.01 53.46 3ag1 n LEU 215 Cb 0.00 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3ag1 n LEU 215 CO 0.00 0.57 -0.12 0.59 -1.33 0.00 0.00 177.39 177.10 3ag1 n ASN 216 N -0.89 -4.74 -4.76 -1.43 3.02 -1.07 -4.96 115.26 100.43 3ag1 n ASN 216 Ca 0.07 0.32 -0.30 0.00 -0.03 0.00 0.00 54.58 54.64 3ag1 n ASN 216 Cb 0.44 -3.36 0.12 0.00 -0.61 0.00 0.00 39.78 36.37 3ag1 n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ag1 s THR 217 N -2.41 2.83 -0.31 3.41 -4.23 -1.18 -5.00 115.64 108.75 3ag1 s THR 217 Ca 0.00 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 60.97 3ag1 s THR 217 Cb 0.00 -2.88 0.47 0.00 1.34 0.00 0.00 72.50 71.43 3ag1 s THR 217 CO 0.00 -0.35 0.99 0.35 -0.54 0.00 0.00 174.62 175.06 3ag1 n THR 218 N -3.67 1.01 -0.31 3.99 -2.24 -1.26 -4.28 114.28 107.52 3ag1 n THR 218 Ca 0.07 -2.99 0.16 0.00 -2.27 0.00 0.00 64.05 59.02 3ag1 n THR 218 Cb 0.56 0.78 0.41 0.00 -2.10 0.00 0.00 70.33 69.97 3ag1 n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ag1 h PHE 219 N 2.91 0.83 -0.06 4.78 -1.00 -1.95 -3.12 116.94 119.33 3ag1 h PHE 219 Ca -0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3ag1 h PHE 219 Cb 1.20 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.50 3ag1 h PHE 219 CO 0.49 0.21 0.00 1.19 -1.61 0.00 0.00 178.31 178.58 3ag1 n PHE 220 N -4.64 0.08 -3.96 -0.55 3.72 -1.26 -1.91 117.46 108.93 3ag1 n PHE 220 Ca 0.21 -0.31 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 3ag1 n PHE 220 Cb 0.63 -0.03 -0.14 0.00 -0.94 0.00 0.00 39.48 39.00 3ag1 n PHE 220 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ag1 s ASP 221 N -0.71 4.64 0.57 4.37 -1.08 -1.18 -2.29 116.67 120.97 3ag1 s ASP 221 Ca 0.05 -1.21 0.28 0.00 -0.52 0.00 0.00 52.55 51.15 3ag1 s ASP 221 Cb 0.03 -1.66 1.50 0.00 -1.46 0.00 0.00 42.92 41.33 3ag1 s ASP 221 CO 0.04 -0.21 1.98 -0.65 0.52 0.00 0.00 175.17 176.85 3ag1 h PRO 222 N 7.94 0.00 0.00 4.34 0.11 -1.86 -0.54 132.00 141.99 3ag1 h PRO 222 Ca -0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3ag1 h PRO 222 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ag1 h PRO 222 CO 0.52 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.17 3ag1 h ALA 223 N 1.63 1.66 -0.66 -0.75 0.00 -1.94 -0.27 119.26 118.94 3ag1 h ALA 223 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ag1 h ALA 223 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ag1 h ALA 223 CO -0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3ag1 n GLY 224 N -1.03 2.72 1.47 0.00 0.00 -0.40 -4.91 105.19 103.04 3ag1 n GLY 224 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3ag1 n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 225 N 1.22 0.66 2.15 -0.02 0.00 -0.11 -4.97 105.19 104.11 3ag1 n GLY 225 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3ag1 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 226 N -2.67 -0.94 3.05 -0.02 0.00 -0.35 -4.91 105.19 99.35 3ag1 n GLY 226 Ca 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 3ag1 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 227 N -3.62 -0.67 0.57 1.61 3.68 -0.80 -3.42 116.67 114.01 3ag1 s ASP 227 Ca 0.41 0.54 0.29 0.00 2.13 0.00 0.00 52.55 55.92 3ag1 s ASP 227 Cb -0.01 1.70 1.47 0.00 -1.45 0.00 0.00 42.92 44.62 3ag1 s ASP 227 CO 0.28 -0.28 1.90 -0.65 0.13 0.00 0.00 175.17 176.56 3ag1 h PRO 228 N 8.08 0.00 -0.01 4.34 0.11 -1.73 -1.92 132.00 140.86 3ag1 h PRO 228 Ca -0.20 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.75 3ag1 h PRO 228 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3ag1 h PRO 228 CO 0.26 0.00 -0.75 0.82 -0.21 0.00 0.00 178.00 178.12 3ag1 h ILE 229 N 0.00 1.49 -0.81 4.15 1.08 -1.91 -3.07 117.51 118.44 3ag1 h ILE 229 Ca 0.27 -2.43 0.14 0.00 -0.39 0.00 0.00 64.86 62.45 3ag1 h ILE 229 Cb 1.29 2.32 -0.09 0.00 -3.07 0.00 0.00 36.82 37.27 3ag1 h ILE 229 CO -0.00 0.70 0.39 0.25 -0.69 0.00 0.00 178.15 178.80 3ag1 h LEU 230 N 0.06 0.45 -0.60 1.44 5.85 -1.71 -1.76 115.31 119.05 3ag1 h LEU 230 Ca -0.02 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 230 Cb 1.32 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3ag1 h LEU 230 CO 0.11 0.19 0.32 0.22 -0.34 0.00 0.00 178.44 178.93 3ag1 h TYR 231 N 0.57 0.58 -0.52 1.25 5.03 -1.65 -1.12 116.97 121.11 3ag1 h TYR 231 Ca 0.44 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.69 3ag1 h TYR 231 Cb 0.62 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 3ag1 h TYR 231 CO -0.11 0.27 -0.00 1.96 -1.32 0.00 0.00 178.16 178.95 3ag1 h GLN 232 N 0.59 0.89 -0.40 1.82 4.20 -1.40 0.15 115.11 120.96 3ag1 h GLN 232 Ca 0.27 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3ag1 h GLN 232 Cb 0.18 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3ag1 h GLN 232 CO -0.18 0.89 0.23 0.45 -0.67 0.00 0.00 178.83 179.54 3ag1 h HIS 233 N 0.82 0.54 -0.21 2.96 3.86 -0.47 -0.92 115.15 121.74 3ag1 h HIS 233 Ca 0.15 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3ag1 h HIS 233 Cb 0.50 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3ag1 h HIS 233 CO 0.03 0.41 -0.09 -0.07 0.86 0.00 0.00 177.93 179.07 3ag1 h LEU 234 N 0.52 0.45 -0.26 2.43 3.38 -0.72 -0.47 115.31 120.64 3ag1 h LEU 234 Ca 0.14 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ag1 h LEU 234 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ag1 h LEU 234 CO -0.02 0.76 0.13 0.15 0.09 0.00 0.00 178.44 179.55 3ag1 h PHE 235 N 0.15 0.25 0.00 1.13 3.57 -0.61 -2.94 116.94 118.49 3ag1 h PHE 235 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3ag1 h PHE 235 Cb 0.58 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3ag1 h PHE 235 CO 0.06 0.14 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.67 3ag1 h TRP 236 N 0.28 0.00 -0.44 0.41 4.06 -1.11 0.35 115.95 119.51 3ag1 h TRP 236 Ca 0.10 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 3ag1 h TRP 236 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3ag1 h TRP 236 CO -0.09 0.12 0.20 0.35 -3.56 0.00 0.00 178.44 175.46 3ag1 h PHE 237 N 0.00 0.61 0.15 0.49 3.04 -0.91 0.25 116.94 120.57 3ag1 h PHE 237 Ca -0.00 -0.02 -0.33 0.00 3.98 0.00 0.00 57.97 61.60 3ag1 h PHE 237 Cb 1.00 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.32 3ag1 h PHE 237 CO 0.00 0.46 -1.64 0.35 -2.02 0.00 0.00 178.31 175.46 3ag1 h PHE 238 N 0.62 0.59 0.00 0.41 3.57 -1.34 -3.40 116.94 117.39 3ag1 h PHE 238 Ca 0.15 -0.43 -0.11 0.00 3.53 0.00 0.00 57.97 61.11 3ag1 h PHE 238 Cb 0.09 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3ag1 h PHE 238 CO 0.01 1.52 -0.53 0.78 -2.23 0.00 0.00 178.31 177.86 3ag1 h GLY 239 N 1.18 0.00 0.58 2.40 0.00 0.58 0.01 103.07 107.82 3ag1 h GLY 239 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3ag1 h GLY 239 CO 0.17 0.00 -0.20 0.84 0.00 0.00 0.00 176.54 177.35 3ag1 h HIS 240 N 0.00 -0.52 -0.99 5.60 -0.00 -1.20 -2.70 115.15 115.34 3ag1 h HIS 240 Ca -0.01 -0.01 0.36 0.00 -0.00 0.00 0.00 60.37 60.71 3ag1 h HIS 240 Cb 1.12 0.17 -0.17 0.00 -0.00 0.00 0.00 27.41 28.53 3ag1 h HIS 240 CO 0.00 -0.20 0.46 -1.35 -0.00 0.00 0.00 177.93 176.84 3ag1 h PRO 241 N -0.99 0.11 -0.87 5.26 0.11 -1.56 0.21 132.00 134.27 3ag1 h PRO 241 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3ag1 h PRO 241 Cb 0.55 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 3ag1 h PRO 241 CO 0.09 0.07 0.54 1.49 -0.21 0.00 0.00 178.00 179.99 3ag1 h GLU 242 N 0.11 1.16 -0.58 1.05 4.57 -0.80 0.79 114.58 120.89 3ag1 h GLU 242 Ca 0.76 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.79 3ag1 h GLU 242 Cb 1.87 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 30.18 3ag1 h GLU 242 CO -0.73 0.80 0.10 -0.39 -1.18 0.00 0.00 179.01 177.61 3ag1 h VAL 243 N 1.19 1.25 0.00 0.32 -1.51 -0.63 -1.50 116.25 115.36 3ag1 h VAL 243 Ca 0.31 -0.94 -0.12 0.00 -1.23 0.00 0.00 66.70 64.73 3ag1 h VAL 243 Cb -0.08 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 3ag1 h VAL 243 CO -0.06 0.35 -0.57 1.88 -1.23 0.00 0.00 177.57 177.93 3ag1 h TYR 244 N 0.88 0.00 -0.08 5.19 0.05 -0.99 -2.23 116.97 119.80 3ag1 h TYR 244 Ca 0.18 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 3ag1 h TYR 244 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3ag1 h TYR 244 CO 0.02 0.57 -0.31 0.82 -1.05 0.00 0.00 178.16 178.21 3ag1 h ILE 245 N 0.00 1.25 0.00 -2.88 2.04 -0.27 -1.17 117.51 116.49 3ag1 h ILE 245 Ca -0.01 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 3ag1 h ILE 245 Cb 1.05 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3ag1 h ILE 245 CO 0.07 0.35 -0.42 -0.07 0.00 0.00 0.00 178.15 178.09 3ag1 h LEU 246 N 0.13 0.00 0.00 1.44 3.38 -0.69 -3.34 115.31 116.23 3ag1 h LEU 246 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 3ag1 h LEU 246 Cb 0.62 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3ag1 h LEU 246 CO 0.05 0.42 -2.28 0.00 0.09 0.00 0.00 178.44 176.72 3ag1 n ILE 247 N -3.42 1.10 -0.18 1.22 0.13 -0.95 -4.58 119.36 112.68 3ag1 n ILE 247 Ca 0.00 -0.77 -0.09 0.00 -1.10 0.00 0.00 62.75 60.79 3ag1 n ILE 247 Cb 0.58 -0.39 0.01 0.00 -0.84 0.00 0.00 39.64 39.00 3ag1 n ILE 247 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ag1 h LEU 248 N 0.00 0.81 -1.85 9.51 3.38 -1.35 0.77 115.31 126.59 3ag1 h LEU 248 Ca -0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 3ag1 h LEU 248 Cb 1.98 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 3ag1 h LEU 248 CO 0.02 0.87 -0.13 -0.65 0.09 0.00 0.00 178.44 178.65 3ag1 h PRO 249 N 0.72 0.00 -0.20 1.13 0.11 -1.79 -1.30 132.00 130.67 3ag1 h PRO 249 Ca 0.15 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3ag1 h PRO 249 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3ag1 h PRO 249 CO 0.01 0.13 -0.38 0.78 -0.21 0.00 0.00 178.00 178.32 3ag1 h GLY 250 N 0.52 0.49 0.93 -0.55 0.00 -1.15 -1.12 103.07 102.18 3ag1 h GLY 250 Ca -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.87 3ag1 h GLY 250 CO 0.02 0.43 0.20 0.74 0.00 0.00 0.00 176.54 177.92 3ag1 h PHE 251 N 0.38 0.38 -0.11 5.60 0.05 -0.28 -0.30 116.94 122.65 3ag1 h PHE 251 Ca 0.04 0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.86 3ag1 h PHE 251 Cb 0.85 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.65 3ag1 h PHE 251 CO 0.03 0.22 -0.04 0.78 -0.18 0.00 0.00 178.31 179.12 3ag1 h GLY 252 N 0.41 0.06 0.99 -1.45 0.00 -0.95 -2.08 103.07 100.04 3ag1 h GLY 252 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3ag1 h GLY 252 CO -0.06 -0.06 0.30 -0.33 0.00 0.00 0.00 176.54 176.40 3ag1 h MET 253 N -0.02 0.71 -0.55 4.80 2.86 -1.03 -2.91 114.93 118.79 3ag1 h MET 253 Ca 0.06 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3ag1 h MET 253 Cb 0.11 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 3ag1 h MET 253 CO -0.13 0.53 0.24 0.82 1.06 0.00 0.00 176.91 179.44 3ag1 h ILE 254 N 0.69 0.87 -0.42 -1.22 1.08 -0.90 0.63 117.51 118.25 3ag1 h ILE 254 Ca 0.18 -0.16 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 3ag1 h ILE 254 Cb 0.01 0.37 -0.07 0.00 -3.07 0.00 0.00 36.82 34.07 3ag1 h ILE 254 CO -0.03 0.08 -0.01 0.28 -0.69 0.00 0.00 178.15 177.78 3ag1 h SER 255 N 0.45 -0.20 -0.73 1.72 0.02 -1.27 -0.12 113.55 113.42 3ag1 h SER 255 Ca 0.26 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 3ag1 h SER 255 Cb 0.25 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3ag1 h SER 255 CO -0.23 -0.06 0.34 0.45 -1.14 0.00 0.00 176.83 176.20 3ag1 h HIS 256 N 0.09 1.05 -0.27 3.45 3.86 -1.21 -2.30 115.15 119.83 3ag1 h HIS 256 Ca 0.21 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3ag1 h HIS 256 Cb 0.30 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3ag1 h HIS 256 CO -0.29 0.78 0.03 0.82 0.86 0.00 0.00 177.93 180.14 3ag1 h ILE 257 N 1.02 1.24 -0.26 2.45 2.04 -0.58 -1.11 117.51 122.31 3ag1 h ILE 257 Ca 0.25 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 65.16 3ag1 h ILE 257 Cb 0.13 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3ag1 h ILE 257 CO -0.03 0.26 -0.37 0.58 0.00 0.00 0.00 178.15 178.59 3ag1 h VAL 258 N 0.27 1.29 -0.01 1.67 2.07 -1.08 -1.51 116.25 118.96 3ag1 h VAL 258 Ca 0.08 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 3ag1 h VAL 258 Cb 0.36 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ag1 h VAL 258 CO 0.01 0.48 -0.00 0.74 0.02 0.00 0.00 177.57 178.82 3ag1 h THR 259 N 0.50 1.25 0.03 2.57 2.02 -1.35 -2.46 112.91 115.47 3ag1 h THR 259 Ca 0.05 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.49 3ag1 h THR 259 Cb 0.87 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3ag1 h THR 259 CO 0.08 0.20 -0.13 0.22 0.37 0.00 0.00 175.52 176.25 3ag1 h TYR 260 N -0.30 -0.33 -0.01 3.16 3.20 -1.00 -1.49 116.97 120.19 3ag1 h TYR 260 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ag1 h TYR 260 Cb 0.32 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3ag1 h TYR 260 CO 0.03 -0.19 -0.04 0.66 -1.64 0.00 0.00 178.16 176.98 3ag1 n TYR 261 N -5.26 0.00 1.22 -3.82 4.01 -0.58 -1.26 117.16 111.47 3ag1 n TYR 261 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.81 3ag1 n TYR 261 Cb 0.18 -0.03 0.40 0.00 -0.31 0.00 0.00 39.34 39.57 3ag1 n TYR 261 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ag1 n SER 262 N -0.20 0.83 -0.76 7.72 7.64 -0.93 -0.51 113.62 127.41 3ag1 n SER 262 Ca 0.18 -0.70 -0.08 0.00 1.01 0.00 0.00 58.87 59.28 3ag1 n SER 262 Cb 0.31 0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3ag1 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ag1 n GLY 263 N 1.36 0.52 3.96 0.23 0.00 -0.39 -1.46 105.19 109.41 3ag1 n GLY 263 Ca 0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3ag1 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ag1 s LYS 264 N -3.54 3.45 0.00 1.61 3.01 -0.59 -4.85 119.74 118.83 3ag1 s LYS 264 Ca 0.00 -0.66 0.22 0.00 -1.01 0.00 0.00 55.97 54.52 3ag1 s LYS 264 Cb 0.00 -2.88 0.01 0.00 -1.01 0.00 0.00 37.83 33.95 3ag1 s LYS 264 CO 0.00 0.42 1.07 0.36 0.51 0.00 0.00 175.35 177.71 3ag1 n LYS 265 N -1.22 0.01 -3.59 1.68 2.85 -1.26 -4.56 118.16 112.07 3ag1 n LYS 265 Ca -0.08 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.05 3ag1 n LYS 265 Cb 0.56 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 3ag1 n LYS 265 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3ag1 s GLU 266 N -3.00 1.07 0.56 -1.58 -1.05 -1.26 -4.91 118.70 108.53 3ag1 s GLU 266 Ca 0.09 -0.46 -0.18 0.00 -0.15 0.00 0.00 54.97 54.26 3ag1 s GLU 266 Cb 0.16 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.28 3ag1 s GLU 266 CO 0.81 -0.41 1.11 -1.25 0.95 0.00 0.00 175.26 176.47 3ag1 s PRO 267 N -3.14 3.31 0.26 -4.83 0.04 -1.26 -4.97 135.00 124.41 3ag1 s PRO 267 Ca -0.01 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 3ag1 s PRO 267 Cb 0.00 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3ag1 s PRO 267 CO -0.07 -0.86 1.39 0.12 0.04 0.00 0.00 177.00 177.62 3ag1 s PHE 268 N -1.96 3.06 -0.53 0.56 5.36 -1.26 -4.01 117.98 119.20 3ag1 s PHE 268 Ca 0.70 1.14 -0.03 0.00 -0.96 0.00 0.00 56.93 57.79 3ag1 s PHE 268 Cb -0.22 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3ag1 s PHE 268 CO 0.29 -2.37 0.45 0.41 -1.46 0.00 0.00 175.22 172.54 3ag1 n GLY 269 N 1.90 0.29 0.27 13.12 0.00 -1.26 -4.82 105.19 114.69 3ag1 n GLY 269 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3ag1 n GLY 269 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ag1 h TYR 270 N -1.00 -0.57 -0.41 1.61 3.20 -1.99 -0.60 116.97 117.22 3ag1 h TYR 270 Ca -0.23 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 3ag1 h TYR 270 Cb 1.14 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 3ag1 h TYR 270 CO 0.19 -0.31 -0.05 0.52 -1.64 0.00 0.00 178.16 176.88 3ag1 h MET 271 N -0.11 0.69 -0.94 1.82 2.86 -1.95 -1.66 114.93 115.63 3ag1 h MET 271 Ca 0.23 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3ag1 h MET 271 Cb 0.47 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 3ag1 h MET 271 CO -0.56 0.74 0.62 0.78 1.06 0.00 0.00 176.91 179.54 3ag1 h GLY 272 N 0.95 1.34 1.12 8.32 0.00 -1.57 -0.58 103.07 112.65 3ag1 h GLY 272 Ca 0.12 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3ag1 h GLY 272 CO 0.02 0.43 -0.24 -0.33 0.00 0.00 0.00 176.54 176.42 3ag1 h MET 273 N 1.22 0.99 -0.07 4.80 2.07 -0.37 0.15 114.93 123.72 3ag1 h MET 273 Ca 0.36 -0.44 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 3ag1 h MET 273 Cb -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 3ag1 h MET 273 CO -0.10 1.12 -0.13 0.28 1.07 0.00 0.00 176.91 179.15 3ag1 h VAL 274 N 0.85 1.41 -0.56 -2.22 2.07 -1.23 -2.28 116.25 114.30 3ag1 h VAL 274 Ca 0.10 -1.43 0.11 0.00 0.82 0.00 0.00 66.70 66.30 3ag1 h VAL 274 Cb 0.83 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 3ag1 h VAL 274 CO 0.07 0.40 0.06 -0.25 0.02 0.00 0.00 177.57 177.87 3ag1 h TRP 275 N -0.28 0.08 -0.69 1.57 7.01 -1.03 -2.38 115.95 120.23 3ag1 h TRP 275 Ca 0.00 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 3ag1 h TRP 275 Cb 0.71 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 3ag1 h TRP 275 CO 0.11 -0.08 0.25 0.00 -2.79 0.00 0.00 178.44 175.93 3ag1 h ALA 276 N 1.47 1.14 -0.43 2.65 0.00 -0.49 -1.38 119.26 122.22 3ag1 h ALA 276 Ca 0.29 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ag1 h ALA 276 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ag1 h ALA 276 CO -0.42 0.61 -0.20 0.52 0.00 0.00 0.00 179.25 179.76 3ag1 h MET 277 N 1.01 0.89 -0.76 0.00 2.86 -1.11 -0.32 114.93 117.50 3ag1 h MET 277 Ca 0.23 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3ag1 h MET 277 Cb 0.23 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3ag1 h MET 277 CO -0.01 1.04 0.28 0.52 1.06 0.00 0.00 176.91 179.79 3ag1 h MET 278 N 0.72 1.14 -0.54 1.72 2.07 -1.37 -0.23 114.93 118.44 3ag1 h MET 278 Ca 0.10 -0.22 -0.04 0.00 -2.07 0.00 0.00 59.70 57.47 3ag1 h MET 278 Cb 0.76 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 3ag1 h MET 278 CO 0.06 0.94 0.17 0.77 1.07 0.00 0.00 176.91 179.93 3ag1 h SER 279 N 1.10 0.78 -0.40 1.22 0.02 -1.06 0.07 113.55 115.29 3ag1 h SER 279 Ca 0.25 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3ag1 h SER 279 Cb 0.24 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3ag1 h SER 279 CO -0.02 0.77 0.09 0.40 -1.14 0.00 0.00 176.83 176.94 3ag1 h ILE 280 N 0.74 1.23 -0.46 3.27 2.04 -0.97 -0.56 117.51 122.79 3ag1 h ILE 280 Ca 0.17 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3ag1 h ILE 280 Cb 0.27 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3ag1 h ILE 280 CO -0.01 0.28 0.26 1.23 0.00 0.00 0.00 178.15 179.91 3ag1 h GLY 281 N 0.50 0.65 0.76 5.37 0.00 -0.76 0.27 103.07 109.86 3ag1 h GLY 281 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3ag1 h GLY 281 CO 0.00 0.15 -0.17 -2.75 0.00 0.00 0.00 176.54 173.78 3ag1 h PHE 282 N 0.52 -0.43 0.00 5.60 3.57 -0.74 -3.02 116.94 122.43 3ag1 h PHE 282 Ca 0.19 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3ag1 h PHE 282 Cb 0.05 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3ag1 h PHE 282 CO -0.08 -0.14 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.78 3ag1 h LEU 283 N -0.71 0.00 0.00 0.59 3.38 -1.00 -2.21 115.31 115.36 3ag1 h LEU 283 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ag1 h LEU 283 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ag1 h LEU 283 CO 0.08 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3ag1 n GLY 284 N -1.10 -1.05 0.55 0.83 0.00 0.07 -2.09 105.19 102.41 3ag1 n GLY 284 Ca -0.03 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3ag1 n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ag1 n PHE 285 N -1.23 0.00 -1.40 1.61 3.72 -0.83 -3.41 117.46 115.92 3ag1 n PHE 285 Ca 0.13 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.59 3ag1 n PHE 285 Cb 0.18 -0.03 0.08 0.00 -0.94 0.00 0.00 39.48 38.77 3ag1 n PHE 285 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3ag1 n ILE 286 N 0.19 1.08 -0.12 4.37 -5.35 -0.89 -4.73 119.36 113.92 3ag1 n ILE 286 Ca 0.12 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 3ag1 n ILE 286 Cb 0.46 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3ag1 n ILE 286 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ag1 n VAL 287 N -0.82 0.24 0.27 7.28 0.24 -1.25 -4.89 118.33 119.41 3ag1 n VAL 287 Ca 0.09 -0.56 0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3ag1 n VAL 287 Cb 0.65 0.96 0.79 0.00 -1.47 0.00 0.00 33.84 34.77 3ag1 n VAL 287 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3ag1 h TRP 288 N 0.00 0.00 0.00 6.34 0.09 -1.85 -1.84 115.95 118.69 3ag1 h TRP 288 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ag1 h TRP 288 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 3ag1 h TRP 288 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3ag1 n ALA 289 N -2.32 2.38 0.28 0.11 0.00 -1.26 -1.85 120.51 117.85 3ag1 n ALA 289 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.38 3ag1 n ALA 289 Cb 0.17 -1.29 0.33 0.00 0.00 0.00 0.00 19.45 18.67 3ag1 n ALA 289 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ag1 n HIS 290 N -0.86 0.35 1.71 0.00 1.44 -0.69 -1.34 115.22 115.84 3ag1 n HIS 290 Ca 0.13 0.16 0.08 0.00 -2.01 0.00 0.00 57.72 56.08 3ag1 n HIS 290 Cb 0.06 -0.75 0.40 0.00 0.12 0.00 0.00 29.99 29.81 3ag1 n HIS 290 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3ag1 n HIS 291 N -1.84 0.09 -2.06 -1.40 8.25 -0.77 -4.24 115.22 113.25 3ag1 n HIS 291 Ca 0.01 -0.04 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 3ag1 n HIS 291 Cb 0.12 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3ag1 n HIS 291 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ag1 n MET 292 N -0.36 0.22 0.04 -0.41 2.00 -0.45 -4.89 117.12 113.26 3ag1 n MET 292 Ca 0.12 -1.64 0.07 0.00 0.00 0.00 0.00 57.70 56.25 3ag1 n MET 292 Cb 0.14 -0.49 0.31 0.00 0.00 0.00 0.00 33.22 33.18 3ag1 n MET 292 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ag1 n PHE 293 N -0.03 0.21 -0.15 2.03 3.72 -1.23 -3.01 117.46 119.00 3ag1 n PHE 293 Ca 0.05 0.09 0.08 0.00 -0.05 0.00 0.00 57.45 57.62 3ag1 n PHE 293 Cb 0.85 -0.64 0.21 0.00 -0.94 0.00 0.00 39.48 38.96 3ag1 n PHE 293 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ag1 n THR 294 N -1.69 0.88 1.19 4.37 -2.24 -1.26 -4.68 114.28 110.84 3ag1 n THR 294 Ca 0.02 -0.94 0.13 0.00 -2.27 0.00 0.00 64.05 60.99 3ag1 n THR 294 Cb 0.14 0.60 0.30 0.00 -2.10 0.00 0.00 70.33 69.27 3ag1 n THR 294 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ag1 n VAL 295 N 0.99 0.00 0.00 2.28 0.24 -1.16 -4.95 118.33 115.73 3ag1 n VAL 295 Ca 0.16 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3ag1 n VAL 295 Cb 0.50 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 3ag1 n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ag1 n GLY 296 N 1.36 1.11 3.91 7.63 0.00 -1.26 -5.11 105.19 112.83 3ag1 n GLY 296 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3ag1 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ag1 s MET 297 N -0.10 3.36 0.59 1.61 1.00 -1.26 -5.04 119.30 119.45 3ag1 s MET 297 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 55.69 55.57 3ag1 s MET 297 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 34.83 32.41 3ag1 s MET 297 CO 0.00 -0.31 1.16 -0.25 0.00 0.00 0.00 175.02 175.62 3ag1 n ASP 298 N -2.30 1.68 -0.30 3.03 8.00 -1.26 -4.84 116.55 120.56 3ag1 n ASP 298 Ca 0.01 0.88 -0.05 0.00 0.71 0.00 0.00 54.79 56.34 3ag1 n ASP 298 Cb 0.56 -1.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.25 3ag1 n ASP 298 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ag1 h VAL 299 N 0.84 1.25 -0.46 2.53 3.04 -1.99 -1.54 116.25 119.92 3ag1 h VAL 299 Ca -0.49 -0.66 -0.01 0.00 -1.01 0.00 0.00 66.70 64.53 3ag1 h VAL 299 Cb 1.34 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 3ag1 h VAL 299 CO 0.54 0.29 0.24 0.44 -1.01 0.00 0.00 177.57 178.06 3ag1 h ASP 300 N 1.15 0.59 -0.59 3.17 3.32 -1.99 -0.61 116.42 121.45 3ag1 h ASP 300 Ca 0.28 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.34 3ag1 h ASP 300 Cb 0.07 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.39 3ag1 h ASP 300 CO -0.04 0.52 0.09 0.74 -1.72 0.00 0.00 179.24 178.83 3ag1 h THR 301 N 0.61 0.61 -0.09 0.35 2.02 -1.83 -1.50 112.91 113.07 3ag1 h THR 301 Ca 0.16 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 3ag1 h THR 301 Cb 0.08 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3ag1 h THR 301 CO -0.02 0.04 -0.30 0.03 0.37 0.00 0.00 175.52 175.63 3ag1 h ARG 302 N 0.21 0.17 -0.30 6.66 3.08 -0.69 -1.92 114.38 121.59 3ag1 h ARG 302 Ca 0.31 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.14 3ag1 h ARG 302 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3ag1 h ARG 302 CO -0.43 0.46 -0.44 0.00 -1.07 0.00 0.00 179.97 178.49 3ag1 h ALA 303 N 1.54 0.66 0.00 0.04 0.00 -0.53 -1.69 119.26 119.28 3ag1 h ALA 303 Ca 0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ag1 h ALA 303 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ag1 h ALA 303 CO 0.04 0.67 -0.00 -0.92 0.00 0.00 0.00 179.25 179.05 3ag1 h TYR 304 N 0.61 -0.00 -0.10 0.00 3.20 -0.89 -1.97 116.97 117.81 3ag1 h TYR 304 Ca 0.04 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 3ag1 h TYR 304 Cb 1.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 3ag1 h TYR 304 CO 0.05 0.22 -0.42 0.74 -1.64 0.00 0.00 178.16 177.11 3ag1 h PHE 305 N -0.22 0.27 -0.48 -3.82 0.04 -1.32 0.16 116.94 111.57 3ag1 h PHE 305 Ca -0.00 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.74 3ag1 h PHE 305 Cb 0.22 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 3ag1 h PHE 305 CO -0.00 0.62 0.24 1.15 -0.60 0.00 0.00 178.31 179.71 3ag1 h THR 306 N 0.19 0.96 -0.18 -1.55 2.02 -1.26 -2.51 112.91 110.58 3ag1 h THR 306 Ca 0.02 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3ag1 h THR 306 Cb 0.82 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3ag1 h THR 306 CO 0.06 0.09 -0.28 0.28 0.37 0.00 0.00 175.52 176.04 3ag1 h SER 307 N 0.47 0.56 -0.46 4.18 0.02 -0.31 -2.50 113.55 115.52 3ag1 h SER 307 Ca 0.21 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 3ag1 h SER 307 Cb 0.12 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ag1 h SER 307 CO -0.15 0.98 0.15 0.00 -1.14 0.00 0.00 176.83 176.67 3ag1 h ALA 308 N 0.60 1.30 -0.40 3.77 0.00 -0.80 -3.06 119.26 120.66 3ag1 h ALA 308 Ca 0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3ag1 h ALA 308 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ag1 h ALA 308 CO 0.06 0.50 -0.31 1.15 0.00 0.00 0.00 179.25 180.66 3ag1 h THR 309 N 0.75 1.28 0.00 0.00 2.02 -1.26 -2.91 112.91 112.80 3ag1 h THR 309 Ca 0.17 -1.48 -0.04 0.00 0.77 0.00 0.00 66.41 65.84 3ag1 h THR 309 Cb 0.24 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ag1 h THR 309 CO -0.01 0.50 -0.19 0.24 0.37 0.00 0.00 175.52 176.42 3ag1 h MET 310 N 0.73 0.00 -0.16 6.66 2.86 -1.35 -2.77 114.93 120.90 3ag1 h MET 310 Ca 0.07 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3ag1 h MET 310 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3ag1 h MET 310 CO 0.08 0.19 0.12 0.82 1.06 0.00 0.00 176.91 179.19 3ag1 h ILE 311 N 0.00 0.86 0.00 -1.22 2.04 -1.46 -2.72 117.51 115.01 3ag1 h ILE 311 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ag1 h ILE 311 Cb 0.35 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3ag1 h ILE 311 CO 0.03 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.57 3ag1 h ILE 312 N 0.00 0.65 -0.48 -0.67 2.04 -1.62 -2.18 117.51 115.25 3ag1 h ILE 312 Ca 0.08 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.95 3ag1 h ILE 312 Cb 0.32 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3ag1 h ILE 312 CO -0.00 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.47 3ag1 h ALA 313 N 1.99 1.81 0.73 1.87 0.00 -1.68 -2.85 119.26 121.13 3ag1 h ALA 313 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ag1 h ALA 313 Cb 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ag1 h ALA 313 CO 0.00 0.13 -0.35 0.82 0.00 0.00 0.00 179.25 179.85 3ag1 h ILE 314 N 0.51 0.11 -0.05 0.00 2.04 -1.59 0.25 117.51 118.79 3ag1 h ILE 314 Ca 0.20 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3ag1 h ILE 314 Cb 0.14 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3ag1 h ILE 314 CO -0.05 0.01 -0.17 1.55 0.00 0.00 0.00 178.15 179.49 3ag1 h PRO 315 N -1.19 0.07 -0.65 2.37 0.13 -1.73 -2.27 132.00 128.73 3ag1 h PRO 315 Ca -0.10 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3ag1 h PRO 315 Cb 0.77 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 3ag1 h PRO 315 CO 0.16 0.25 0.33 1.15 -0.23 0.00 0.00 178.00 179.66 3ag1 h THR 316 N 0.07 1.22 0.00 1.56 2.02 -1.37 -2.89 112.91 113.51 3ag1 h THR 316 Ca 0.01 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3ag1 h THR 316 Cb 0.35 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3ag1 h THR 316 CO 0.02 0.25 -0.24 1.23 0.37 0.00 0.00 175.52 177.15 3ag1 h GLY 317 N 0.90 0.00 0.65 2.16 0.00 0.06 -2.06 103.07 104.77 3ag1 h GLY 317 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.62 3ag1 h GLY 317 CO -0.03 0.00 0.42 -2.08 0.00 0.00 0.00 176.54 174.85 3ag1 h VAL 318 N 0.00 0.96 -0.28 4.60 2.07 -1.24 0.12 116.25 122.49 3ag1 h VAL 318 Ca -0.00 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3ag1 h VAL 318 Cb 0.72 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3ag1 h VAL 318 CO 0.03 0.14 0.05 0.11 0.02 0.00 0.00 177.57 177.92 3ag1 h LYS 319 N 0.75 0.47 -0.13 1.57 1.57 -1.31 0.75 116.57 120.25 3ag1 h LYS 319 Ca 0.33 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3ag1 h LYS 319 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3ag1 h LYS 319 CO -0.20 0.58 -0.00 0.28 -0.57 0.00 0.00 179.45 179.53 3ag1 h VAL 320 N 0.28 0.91 -0.98 0.50 2.07 -0.87 0.60 116.25 118.76 3ag1 h VAL 320 Ca 0.09 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3ag1 h VAL 320 Cb 0.34 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3ag1 h VAL 320 CO 0.01 0.01 0.64 -0.26 0.02 0.00 0.00 177.57 177.98 3ag1 h PHE 321 N 0.04 1.20 -0.19 1.57 0.05 -0.72 -2.37 116.94 116.52 3ag1 h PHE 321 Ca 0.06 0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.75 3ag1 h PHE 321 Cb 0.07 -0.40 -0.01 0.00 2.00 0.00 0.00 35.95 37.61 3ag1 h PHE 321 CO -0.14 0.69 -0.44 0.77 -0.18 0.00 0.00 178.31 179.00 3ag1 h SER 322 N 1.23 0.49 -0.59 2.17 0.02 -0.28 -1.25 113.55 115.33 3ag1 h SER 322 Ca 0.39 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3ag1 h SER 322 Cb 0.01 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3ag1 h SER 322 CO -0.13 0.86 0.33 -0.50 -1.14 0.00 0.00 176.83 176.25 3ag1 h TRP 323 N 0.37 0.60 -0.61 3.45 6.55 -0.63 -1.75 115.95 123.93 3ag1 h TRP 323 Ca 0.03 0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 3ag1 h TRP 323 Cb 0.92 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 29.01 3ag1 h TRP 323 CO 0.03 0.31 0.12 -0.07 -1.05 0.00 0.00 178.44 177.78 3ag1 h LEU 324 N 0.63 0.95 -1.69 -4.49 3.38 -1.01 -1.81 115.31 111.27 3ag1 h LEU 324 Ca 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ag1 h LEU 324 Cb 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ag1 h LEU 324 CO -0.15 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.33 3ag1 h ALA 325 N 1.03 1.00 0.24 1.53 0.00 -1.11 -1.43 119.26 120.52 3ag1 h ALA 325 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.76 3ag1 h ALA 325 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ag1 h ALA 325 CO 0.01 0.00 -1.51 1.15 0.00 0.00 0.00 179.25 178.90 3ag1 h THR 326 N 0.00 1.25 -0.80 0.00 2.02 -0.48 -3.11 112.91 111.79 3ag1 h THR 326 Ca 0.00 -2.70 0.05 0.00 0.77 0.00 0.00 66.41 64.53 3ag1 h THR 326 Cb 0.40 3.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.77 3ag1 h THR 326 CO 0.00 0.82 0.53 -0.07 0.37 0.00 0.00 175.52 177.17 3ag1 h LEU 327 N 0.14 0.81 -9.27 2.58 3.38 -0.93 -3.42 115.31 108.61 3ag1 h LEU 327 Ca -0.26 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.06 3ag1 h LEU 327 Cb 2.15 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 42.75 3ag1 h LEU 327 CO 0.26 0.54 0.98 1.57 0.09 0.00 0.00 178.44 181.88 3ag1 n HIS 328 N -4.47 2.21 -0.99 1.13 -0.00 -0.59 -0.60 115.22 111.91 3ag1 n HIS 328 Ca 0.11 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.49 3ag1 n HIS 328 Cb 0.16 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.45 3ag1 n HIS 328 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ag1 n GLY 329 N 4.14 0.36 3.75 1.57 0.00 -1.26 -5.01 105.19 108.74 3ag1 n GLY 329 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3ag1 n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ag1 s GLY 330 N -2.00 1.98 -0.76 -0.02 0.00 0.23 -4.99 107.32 101.77 3ag1 s GLY 330 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 44.72 45.06 3ag1 s GLY 330 CO 0.00 0.89 0.89 0.21 0.00 0.00 0.00 173.10 175.09 3ag1 s ASN 331 N -2.75 6.44 -0.10 1.64 2.47 -0.53 -5.02 114.94 117.09 3ag1 s ASN 331 Ca 0.66 -1.84 -0.29 0.00 0.42 0.00 0.00 52.86 51.81 3ag1 s ASN 331 Cb -0.21 -2.33 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 3ag1 s ASN 331 CO 0.49 -1.03 0.99 -0.63 -3.72 0.00 0.00 177.10 173.20 3ag1 s ILE 332 N 2.34 4.80 -0.27 -5.21 -1.09 -1.26 -3.99 121.20 116.52 3ag1 s ILE 332 Ca 0.21 2.01 -0.07 0.00 -2.23 0.00 0.00 60.65 60.57 3ag1 s ILE 332 Cb -0.14 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 3ag1 s ILE 332 CO -0.02 0.02 0.07 -0.75 -1.23 0.00 0.00 174.94 173.03 3ag1 s LYS 333 N 1.96 3.31 -1.41 2.79 2.47 0.34 -4.99 119.74 124.20 3ag1 s LYS 333 Ca 0.48 -0.71 -0.09 0.00 -1.56 0.00 0.00 55.97 54.09 3ag1 s LYS 333 Cb -0.18 -3.33 -0.10 0.00 -1.46 0.00 0.00 37.83 32.76 3ag1 s LYS 333 CO 0.18 -0.34 2.88 0.91 0.16 0.00 0.00 175.35 179.14 3ag1 n TRP 334 N 4.88 2.10 -1.86 4.03 7.02 -1.26 -4.78 117.44 127.58 3ag1 n TRP 334 Ca -0.15 -2.82 -0.30 0.00 -1.02 0.00 0.00 57.50 53.20 3ag1 n TRP 334 Cb 0.49 -2.31 0.03 0.00 -2.42 0.00 0.00 31.31 27.10 3ag1 n TRP 334 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ag1 s SER 335 N 2.33 5.72 0.29 -0.99 1.04 -1.26 -4.92 113.70 115.92 3ag1 s SER 335 Ca 0.65 1.27 -0.00 0.00 0.48 0.00 0.00 55.95 58.35 3ag1 s SER 335 Cb 0.18 -2.17 0.49 0.00 0.10 0.00 0.00 66.02 64.62 3ag1 s SER 335 CO -0.05 -1.18 1.90 -0.65 0.98 0.00 0.00 173.24 174.24 3ag1 h PRO 336 N -0.54 1.05 -0.44 4.02 0.11 -1.92 -2.21 132.00 132.07 3ag1 h PRO 336 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3ag1 h PRO 336 Cb 1.23 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3ag1 h PRO 336 CO 0.63 0.69 0.00 0.00 -0.21 0.00 0.00 178.00 179.11 3ag1 h ALA 337 N 1.49 1.17 -0.14 -0.75 0.00 -1.92 -0.81 119.26 118.31 3ag1 h ALA 337 Ca 0.40 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3ag1 h ALA 337 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ag1 h ALA 337 CO -0.15 0.54 -0.46 1.98 0.00 0.00 0.00 179.25 181.15 3ag1 h MET 338 N 0.68 0.34 -0.41 0.00 1.85 -1.72 -1.36 114.93 114.31 3ag1 h MET 338 Ca 0.14 -0.18 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 3ag1 h MET 338 Cb 0.42 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 3ag1 h MET 338 CO 0.02 0.74 0.06 0.52 -0.40 0.00 0.00 176.91 177.85 3ag1 h MET 339 N 0.28 0.68 -0.51 0.39 2.86 -0.66 -0.30 114.93 117.67 3ag1 h MET 339 Ca 0.02 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3ag1 h MET 339 Cb 0.93 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 3ag1 h MET 339 CO 0.08 0.73 0.17 -1.49 1.06 0.00 0.00 176.91 177.46 3ag1 h TRP 340 N 0.54 0.30 -0.46 -0.22 4.06 -1.20 -1.33 115.95 117.63 3ag1 h TRP 340 Ca 0.12 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 3ag1 h TRP 340 Cb 0.38 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3ag1 h TRP 340 CO 0.03 0.08 0.24 0.00 -3.56 0.00 0.00 178.44 175.23 3ag1 h ALA 341 N 1.35 0.60 -0.77 1.49 0.00 -0.81 0.14 119.26 121.26 3ag1 h ALA 341 Ca 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ag1 h ALA 341 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ag1 h ALA 341 CO -0.27 0.14 0.30 -0.07 0.00 0.00 0.00 179.25 179.36 3ag1 h LEU 342 N 0.61 1.07 -0.35 0.00 3.38 -1.01 -1.41 115.31 117.61 3ag1 h LEU 342 Ca 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ag1 h LEU 342 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ag1 h LEU 342 CO -0.02 0.96 0.06 1.23 0.09 0.00 0.00 178.44 180.76 3ag1 h GLY 343 N 1.12 0.62 -0.26 0.83 0.00 -1.05 -2.35 103.07 101.98 3ag1 h GLY 343 Ca 0.26 -0.41 0.11 0.00 0.00 0.00 0.00 47.33 47.28 3ag1 h GLY 343 CO -0.02 0.38 -0.25 -2.75 0.00 0.00 0.00 176.54 173.90 3ag1 h PHE 344 N 0.41 -0.66 -0.54 5.60 3.04 -0.52 -1.25 116.94 123.02 3ag1 h PHE 344 Ca 0.11 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 3ag1 h PHE 344 Cb 0.35 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 3ag1 h PHE 344 CO 0.02 -0.33 0.26 0.82 -2.02 0.00 0.00 178.31 177.06 3ag1 h ILE 345 N -0.12 1.20 0.00 1.41 2.04 -0.72 -1.19 117.51 120.13 3ag1 h ILE 345 Ca 0.24 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ag1 h ILE 345 Cb 0.51 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3ag1 h ILE 345 CO -0.62 0.23 -0.00 0.15 0.00 0.00 0.00 178.15 177.91 3ag1 h PHE 346 N 0.73 -0.00 -0.14 1.37 3.57 -1.29 -2.90 116.94 118.28 3ag1 h PHE 346 Ca 0.19 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 3ag1 h PHE 346 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3ag1 h PHE 346 CO -0.00 0.48 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.87 3ag1 h LEU 347 N -0.49 0.55 -0.70 0.59 3.38 -1.05 -2.21 115.31 115.39 3ag1 h LEU 347 Ca -0.00 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3ag1 h LEU 347 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3ag1 h LEU 347 CO 0.00 1.03 0.42 0.15 0.09 0.00 0.00 178.44 180.13 3ag1 h PHE 348 N 0.36 0.92 -0.59 1.13 3.04 -1.37 -1.84 116.94 118.59 3ag1 h PHE 348 Ca -0.01 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 3ag1 h PHE 348 Cb 1.16 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 39.33 3ag1 h PHE 348 CO 0.04 0.62 0.35 1.15 -2.02 0.00 0.00 178.31 178.45 3ag1 h THR 349 N 0.95 1.04 -0.08 4.41 2.02 -1.24 0.21 112.91 120.22 3ag1 h THR 349 Ca 0.25 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.22 3ag1 h THR 349 Cb -0.04 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3ag1 h THR 349 CO -0.05 0.12 -0.03 0.58 0.37 0.00 0.00 175.52 176.52 3ag1 h VAL 350 N 0.67 0.89 -0.56 3.16 2.07 -1.26 -0.97 116.25 120.26 3ag1 h VAL 350 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 3ag1 h VAL 350 Cb 0.06 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3ag1 h VAL 350 CO -0.12 0.00 0.28 1.23 0.02 0.00 0.00 177.57 178.98 3ag1 h GLY 351 N -0.02 0.83 1.14 2.17 0.00 -1.14 -1.91 103.07 104.14 3ag1 h GLY 351 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3ag1 h GLY 351 CO -0.09 0.35 -0.32 -1.33 0.00 0.00 0.00 176.54 175.15 3ag1 h GLY 352 N 0.86 1.04 0.81 4.60 0.00 -0.10 -2.68 103.07 107.61 3ag1 h GLY 352 Ca 0.20 -1.01 0.05 0.00 0.00 0.00 0.00 47.33 46.56 3ag1 h GLY 352 CO -0.03 0.92 0.52 1.41 0.00 0.00 0.00 176.54 179.36 3ag1 h LEU 353 N 0.80 0.85 -1.39 3.11 3.38 -0.93 -1.72 115.31 119.41 3ag1 h LEU 353 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3ag1 h LEU 353 Cb 0.91 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ag1 h LEU 353 CO 0.09 0.56 -0.30 0.71 0.09 0.00 0.00 178.44 179.59 3ag1 h THR 354 N 0.99 1.06 -0.09 0.22 1.35 -1.34 -1.39 112.91 113.71 3ag1 h THR 354 Ca 0.35 -1.09 -0.10 0.00 -0.55 0.00 0.00 66.41 65.02 3ag1 h THR 354 Cb 0.08 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3ag1 h THR 354 CO -0.14 0.30 -0.40 1.23 -0.25 0.00 0.00 175.52 176.26 3ag1 h GLY 355 N 1.13 0.21 1.43 5.82 0.00 -1.05 -2.48 103.07 108.13 3ag1 h GLY 355 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3ag1 h GLY 355 CO 0.04 0.18 -0.27 -2.22 0.00 0.00 0.00 176.54 174.27 3ag1 h ILE 356 N 0.16 1.27 -0.74 2.60 1.08 -0.39 -2.37 117.51 119.13 3ag1 h ILE 356 Ca 0.02 -1.36 -0.03 0.00 -0.39 0.00 0.00 64.86 63.09 3ag1 h ILE 356 Cb 0.78 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 3ag1 h ILE 356 CO 0.06 0.44 0.34 0.58 -0.69 0.00 0.00 178.15 178.88 3ag1 h VAL 357 N 0.56 1.24 0.00 1.67 2.07 -1.01 -2.29 116.25 118.50 3ag1 h VAL 357 Ca 0.07 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3ag1 h VAL 357 Cb 0.75 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3ag1 h VAL 357 CO 0.06 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.87 3ag1 h LEU 358 N 1.06 0.00 -1.26 2.57 3.38 -1.17 -3.14 115.31 116.75 3ag1 h LEU 358 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3ag1 h LEU 358 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ag1 h LEU 358 CO -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.38 3ag1 h ALA 359 N 2.39 1.02 -1.74 1.53 0.00 -0.89 -3.41 119.26 118.16 3ag1 h ALA 359 Ca 0.00 -0.11 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 3ag1 h ALA 359 Cb 0.71 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3ag1 h ALA 359 CO 0.00 0.15 1.08 -0.80 0.00 0.00 0.00 179.25 179.68 3ag1 s ASN 360 N -5.98 6.28 0.58 0.00 0.01 -1.19 -4.39 114.94 110.26 3ag1 s ASN 360 Ca 0.01 0.71 0.27 0.00 -0.71 0.00 0.00 52.86 53.14 3ag1 s ASN 360 Cb 0.10 -2.54 1.66 0.00 0.41 0.00 0.00 41.25 40.88 3ag1 s ASN 360 CO 0.60 -1.50 2.18 0.77 -1.51 0.00 0.00 177.10 177.64 3ag1 h SER 361 N 10.82 0.00 0.45 -1.22 4.64 -1.86 0.36 113.55 126.74 3ag1 h SER 361 Ca -0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3ag1 h SER 361 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3ag1 h SER 361 CO 1.11 0.00 -0.23 0.28 -0.87 0.00 0.00 176.83 177.12 3ag1 h SER 362 N 0.00 -0.54 0.26 4.97 0.02 -1.94 -2.87 113.55 113.45 3ag1 h SER 362 Ca 0.04 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3ag1 h SER 362 Cb 0.20 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3ag1 h SER 362 CO -0.00 -0.38 -0.24 0.25 -1.14 0.00 0.00 176.83 175.32 3ag1 h LEU 363 N -0.62 0.00 -1.66 5.07 6.46 -1.79 -2.99 115.31 119.79 3ag1 h LEU 363 Ca -0.06 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 3ag1 h LEU 363 Cb 0.48 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3ag1 h LEU 363 CO 0.09 0.24 -0.19 -0.78 -0.62 0.00 0.00 178.44 177.19 3ag1 h ASP 364 N 0.00 0.00 -0.70 1.25 1.82 -0.26 -1.78 116.42 116.75 3ag1 h ASP 364 Ca -0.00 0.00 0.14 0.00 -0.39 0.00 0.00 57.03 56.78 3ag1 h ASP 364 Cb 0.44 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.35 3ag1 h ASP 364 CO 0.03 0.19 0.22 0.40 -1.61 0.00 0.00 179.24 178.47 3ag1 h ILE 365 N 0.00 0.62 0.00 2.25 1.08 -1.35 0.53 117.51 120.63 3ag1 h ILE 365 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3ag1 h ILE 365 Cb 0.45 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3ag1 h ILE 365 CO 0.02 0.06 -0.23 0.58 -0.69 0.00 0.00 178.15 177.90 3ag1 h VAL 366 N 0.34 0.00 0.00 1.67 2.07 -1.51 -3.35 116.25 115.48 3ag1 h VAL 366 Ca 0.38 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ag1 h VAL 366 Cb 0.60 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3ag1 h VAL 366 CO -0.43 0.00 -1.41 0.18 0.02 0.00 0.00 177.57 175.93 3ag1 n LEU 367 N -2.83 0.35 -4.77 2.57 4.77 -0.76 -4.89 117.00 111.45 3ag1 n LEU 367 Ca 0.03 -0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 3ag1 n LEU 367 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ag1 n LEU 367 CO 0.35 0.09 1.05 -2.28 -1.33 0.00 0.00 177.39 175.26 3ag1 s HIS 368 N -3.01 2.66 -1.85 -1.77 2.46 0.18 -2.09 115.29 111.87 3ag1 s HIS 368 Ca -0.01 1.29 0.00 0.00 0.47 0.00 0.00 55.06 56.81 3ag1 s HIS 368 Cb 0.12 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 3ag1 s HIS 368 CO 0.74 -2.61 0.00 -0.25 -2.47 0.00 0.00 174.74 170.16 3ag1 n ASP 369 N 0.20 -5.85 -4.78 9.88 9.92 -1.26 -4.98 116.55 119.68 3ag1 n ASP 369 Ca 0.03 0.06 -0.28 0.00 -0.53 0.00 0.00 54.79 54.07 3ag1 n ASP 369 Cb 0.41 -4.90 -0.06 0.00 -0.64 0.00 0.00 41.12 35.93 3ag1 n ASP 369 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ag1 s THR 370 N -3.00 1.68 -1.26 -3.53 -4.23 -0.89 -1.52 115.64 102.90 3ag1 s THR 370 Ca 0.00 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.84 3ag1 s THR 370 Cb 0.00 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 71.53 3ag1 s THR 370 CO 0.00 0.00 1.28 -1.22 -0.54 0.00 0.00 174.62 174.14 3ag1 n TYR 371 N -1.37 0.00 0.04 3.99 4.01 -0.86 -2.23 117.16 120.74 3ag1 n TYR 371 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 3ag1 n TYR 371 Cb 0.66 -0.37 0.14 0.00 -0.31 0.00 0.00 39.34 39.45 3ag1 n TYR 371 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ag1 h TYR 372 N 0.00 0.49 -0.71 -0.72 5.03 -1.82 -2.24 116.97 117.00 3ag1 h TYR 372 Ca 0.00 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.11 3ag1 h TYR 372 Cb 0.13 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3ag1 h TYR 372 CO 0.00 0.79 0.25 0.28 -1.32 0.00 0.00 178.16 178.15 3ag1 h VAL 373 N 0.33 1.25 -0.62 1.81 2.07 -1.66 -2.43 116.25 117.01 3ag1 h VAL 373 Ca 0.02 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3ag1 h VAL 373 Cb 0.92 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3ag1 h VAL 373 CO 0.08 0.33 0.04 0.58 0.02 0.00 0.00 177.57 178.63 3ag1 h VAL 374 N 1.05 1.26 -0.35 2.57 2.07 -1.60 -1.71 116.25 119.55 3ag1 h VAL 374 Ca 0.23 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3ag1 h VAL 374 Cb 0.26 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3ag1 h VAL 374 CO -0.01 0.40 0.16 0.00 0.02 0.00 0.00 177.57 178.13 3ag1 h ALA 375 N 1.07 0.45 0.50 1.67 0.00 -1.25 -1.78 119.26 119.91 3ag1 h ALA 375 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ag1 h ALA 375 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ag1 h ALA 375 CO 0.02 0.02 -0.35 1.25 0.00 0.00 0.00 179.25 180.20 3ag1 h HIS 376 N 0.42 -0.92 0.00 0.00 6.17 -1.12 -1.11 115.15 118.59 3ag1 h HIS 376 Ca 0.12 -0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.13 3ag1 h HIS 376 Cb 0.14 0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 3ag1 h HIS 376 CO -0.01 -0.52 -0.27 0.27 0.71 0.00 0.00 177.93 178.11 3ag1 h PHE 377 N -0.82 0.00 0.00 5.26 -0.00 -1.34 -2.23 116.94 117.81 3ag1 h PHE 377 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.79 3ag1 h PHE 377 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.62 3ag1 h PHE 377 CO -0.13 0.27 -0.59 0.45 -0.00 0.00 0.00 178.31 178.31 3ag1 h HIS 378 N 0.00 0.00 -0.06 6.09 3.86 -1.22 0.06 115.15 123.88 3ag1 h HIS 378 Ca -0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3ag1 h HIS 378 Cb 1.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 3ag1 h HIS 378 CO 0.00 0.59 0.01 1.88 0.86 0.00 0.00 177.93 181.28 3ag1 h TYR 379 N 0.00 0.02 0.00 2.45 -1.99 -0.60 0.45 116.97 117.30 3ag1 h TYR 379 Ca -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 3ag1 h TYR 379 Cb 1.27 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.99 3ag1 h TYR 379 CO 0.00 0.01 -0.17 -0.39 -0.00 0.00 0.00 178.16 177.61 3ag1 h VAL 380 N 0.04 0.30 0.00 -2.88 -1.51 -1.42 -2.70 116.25 108.09 3ag1 h VAL 380 Ca 0.02 -1.38 -0.40 0.00 -1.23 0.00 0.00 66.70 63.71 3ag1 h VAL 380 Cb 0.02 2.11 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 3ag1 h VAL 380 CO -0.03 0.17 -2.27 0.18 -1.23 0.00 0.00 177.57 174.39 3ag1 n LEU 381 N -3.15 1.94 0.00 4.19 4.77 0.00 -2.41 117.00 122.34 3ag1 n LEU 381 Ca 0.03 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 3ag1 n LEU 381 Cb 0.58 -0.83 0.29 0.00 -2.33 0.00 0.00 43.42 41.12 3ag1 n LEU 381 CO 0.36 0.47 0.50 -0.24 -1.33 0.00 0.00 177.39 177.15 3ag1 n SER 382 N -4.29 0.45 0.00 -1.43 2.88 0.11 -1.70 113.62 109.65 3ag1 n SER 382 Ca -0.49 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 3ag1 n SER 382 Cb 0.83 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 3ag1 n SER 382 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3ag1 n MET 383 N -1.52 1.35 0.00 -1.46 2.81 -0.97 -4.48 117.12 112.85 3ag1 n MET 383 Ca 0.06 -1.08 0.00 0.00 -1.81 0.00 0.00 57.70 54.86 3ag1 n MET 383 Cb 0.34 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3ag1 n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag1 n GLY 384 N -0.29 0.06 0.22 3.03 0.00 -1.12 -4.39 105.19 102.70 3ag1 n GLY 384 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ag1 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 h ALA 385 N -0.49 0.57 -0.11 4.61 0.00 -1.37 -0.00 119.26 122.46 3ag1 h ALA 385 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3ag1 h ALA 385 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ag1 h ALA 385 CO 0.00 -0.39 -0.72 0.28 0.00 0.00 0.00 179.25 178.42 3ag1 h VAL 386 N 0.12 1.35 -0.33 0.00 2.07 -1.56 -1.10 116.25 116.80 3ag1 h VAL 386 Ca 0.30 -2.07 -0.15 0.00 0.82 0.00 0.00 66.70 65.60 3ag1 h VAL 386 Cb 0.48 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3ag1 h VAL 386 CO -0.49 0.63 -0.39 -0.26 0.02 0.00 0.00 177.57 177.07 3ag1 h PHE 387 N 0.35 0.96 -0.34 1.57 0.05 -1.46 -0.56 116.94 117.52 3ag1 h PHE 387 Ca -0.03 -0.28 -0.00 0.00 3.82 0.00 0.00 57.97 61.47 3ag1 h PHE 387 Cb 1.31 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 39.04 3ag1 h PHE 387 CO 0.05 1.06 0.19 0.00 -0.18 0.00 0.00 178.31 179.44 3ag1 h ALA 388 N 0.90 0.43 -0.24 2.45 0.00 -0.92 -0.54 119.26 121.34 3ag1 h ALA 388 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3ag1 h ALA 388 Cb 0.95 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3ag1 h ALA 388 CO 0.09 -0.06 -0.13 0.82 0.00 0.00 0.00 179.25 179.97 3ag1 h ILE 389 N 0.43 0.60 -0.60 0.00 2.04 -1.04 0.71 117.51 119.65 3ag1 h ILE 389 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 3ag1 h ILE 389 Cb 0.03 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3ag1 h ILE 389 CO -0.02 0.00 0.40 0.24 0.00 0.00 0.00 178.15 178.77 3ag1 h MET 390 N -0.11 0.79 -0.38 2.37 2.86 -1.03 -0.64 114.93 118.78 3ag1 h MET 390 Ca 0.13 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3ag1 h MET 390 Cb 0.31 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3ag1 h MET 390 CO -0.31 0.52 0.25 0.78 1.06 0.00 0.00 176.91 179.22 3ag1 h GLY 391 N 0.81 0.54 1.21 8.32 0.00 -0.82 -1.36 103.07 111.78 3ag1 h GLY 391 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3ag1 h GLY 391 CO -0.05 0.19 0.08 -1.33 0.00 0.00 0.00 176.54 175.43 3ag1 h GLY 392 N 0.51 1.04 1.02 4.60 0.00 -0.76 -1.59 103.07 107.90 3ag1 h GLY 392 Ca 0.14 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.65 3ag1 h GLY 392 CO -0.04 0.63 -0.42 -2.75 0.00 0.00 0.00 176.54 173.96 3ag1 h PHE 393 N 0.91 0.93 -0.01 5.60 3.57 -0.69 -0.85 116.94 126.39 3ag1 h PHE 393 Ca 0.18 -0.32 -0.20 0.00 3.53 0.00 0.00 57.97 61.17 3ag1 h PHE 393 Cb 0.42 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3ag1 h PHE 393 CO 0.03 1.10 -0.85 -0.39 -2.23 0.00 0.00 178.31 175.97 3ag1 h VAL 394 N 0.48 1.45 -0.17 1.41 -1.51 -1.14 -1.05 116.25 115.73 3ag1 h VAL 394 Ca 0.02 -2.48 -0.04 0.00 -1.23 0.00 0.00 66.70 62.97 3ag1 h VAL 394 Cb 1.02 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 3ag1 h VAL 394 CO 0.10 0.73 -0.05 -0.74 -1.23 0.00 0.00 177.57 176.38 3ag1 h HIS 395 N 0.16 0.38 -0.01 5.19 -0.00 -1.15 -3.29 115.15 116.42 3ag1 h HIS 395 Ca -0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 3ag1 h HIS 395 Cb 1.47 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 3ag1 h HIS 395 CO 0.04 0.61 -0.50 0.91 -0.00 0.00 0.00 177.93 178.99 3ag1 n TRP 396 N -4.66 0.00 -0.29 5.26 8.01 -0.34 -4.44 117.44 120.99 3ag1 n TRP 396 Ca -0.05 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.25 3ag1 n TRP 396 Cb 0.27 0.00 0.27 0.00 -2.01 0.00 0.00 31.31 29.84 3ag1 n TRP 396 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3ag1 h PHE 397 N 2.33 0.51 -0.46 -5.99 3.04 -1.26 -0.80 116.94 114.32 3ag1 h PHE 397 Ca 0.00 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 3ag1 h PHE 397 Cb 0.75 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 3ag1 h PHE 397 CO 0.00 -0.07 0.08 -1.35 -2.02 0.00 0.00 178.31 174.95 3ag1 h PRO 398 N 0.35 0.71 -0.21 6.41 0.11 -1.77 0.14 132.00 137.74 3ag1 h PRO 398 Ca 0.52 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 3ag1 h PRO 398 Cb 0.95 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3ag1 h PRO 398 CO -0.53 0.67 0.10 1.25 -0.21 0.00 0.00 178.00 179.28 3ag1 h LEU 399 N 0.68 0.27 -0.55 2.35 5.85 -1.48 0.11 115.31 122.54 3ag1 h LEU 399 Ca 0.15 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 3ag1 h LEU 399 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3ag1 h LEU 399 CO 0.00 0.31 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.67 3ag1 h PHE 400 N 0.20 0.74 0.00 1.25 0.04 -0.71 -3.37 116.94 115.09 3ag1 h PHE 400 Ca 0.07 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.52 3ag1 h PHE 400 Cb 0.12 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3ag1 h PHE 400 CO -0.03 0.97 -1.76 -1.13 -0.60 0.00 0.00 178.31 175.77 3ag1 n SER 401 N -3.99 1.62 0.00 2.17 3.41 0.44 -4.71 113.62 112.55 3ag1 n SER 401 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ag1 n SER 401 Cb 0.57 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 3ag1 n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag1 n GLY 402 N 1.81 0.81 3.29 5.00 0.00 0.38 -4.52 105.19 111.96 3ag1 n GLY 402 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3ag1 n GLY 402 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag1 s TYR 403 N -3.11 1.62 0.10 1.61 2.02 -1.26 -1.81 117.35 116.51 3ag1 s TYR 403 Ca 0.00 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3ag1 s TYR 403 Cb 0.00 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 3ag1 s TYR 403 CO 0.00 0.25 0.21 0.95 -1.57 0.00 0.00 175.55 175.39 3ag1 s THR 404 N -2.24 5.23 0.66 -0.71 -4.23 -0.93 -3.56 115.64 109.86 3ag1 s THR 404 Ca 0.14 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 3ag1 s THR 404 Cb -0.04 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 3ag1 s THR 404 CO 0.05 0.05 1.06 -0.76 -0.54 0.00 0.00 174.62 174.48 3ag1 s LEU 405 N -2.75 3.09 -0.50 4.79 1.43 -1.26 -4.70 118.68 118.78 3ag1 s LEU 405 Ca 0.34 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.44 3ag1 s LEU 405 Cb -0.12 -4.23 0.03 0.00 0.03 0.00 0.00 46.19 41.90 3ag1 s LEU 405 CO 0.27 -1.07 1.17 0.21 0.23 0.00 0.00 176.35 177.16 3ag1 s ASN 406 N -4.26 6.57 0.50 2.29 3.84 -1.26 -4.89 114.94 117.73 3ag1 s ASN 406 Ca 0.56 0.42 0.20 0.00 0.21 0.00 0.00 52.86 54.25 3ag1 s ASN 406 Cb -0.11 -2.55 1.27 0.00 -0.55 0.00 0.00 41.25 39.31 3ag1 s ASN 406 CO 0.53 -1.32 2.02 0.44 -2.79 0.00 0.00 177.10 175.99 3ag1 h ASP 407 N 9.41 0.10 -0.24 -4.21 3.45 -1.99 -2.19 116.42 120.76 3ag1 h ASP 407 Ca -0.24 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.17 3ag1 h ASP 407 Cb 1.06 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3ag1 h ASP 407 CO 1.14 0.06 -0.05 0.74 -1.57 0.00 0.00 179.24 179.56 3ag1 h THR 408 N 0.12 1.28 -0.64 0.35 2.02 -2.00 -0.22 112.91 113.81 3ag1 h THR 408 Ca 0.21 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.37 3ag1 h THR 408 Cb 0.68 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3ag1 h THR 408 CO -0.02 0.32 0.40 -0.50 0.37 0.00 0.00 175.52 176.09 3ag1 h TRP 409 N 0.20 0.75 -0.28 3.16 -0.00 -1.90 -2.30 115.95 115.58 3ag1 h TRP 409 Ca 0.06 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.92 3ag1 h TRP 409 Cb 0.51 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 3ag1 h TRP 409 CO 0.05 0.44 -0.05 0.00 -0.00 0.00 0.00 178.44 178.87 3ag1 h ALA 410 N 1.27 1.40 -0.27 1.49 0.00 -1.06 -0.19 119.26 121.90 3ag1 h ALA 410 Ca 0.26 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3ag1 h ALA 410 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ag1 h ALA 410 CO -0.10 0.42 -0.57 0.87 0.00 0.00 0.00 179.25 179.87 3ag1 h LYS 411 N 0.42 0.83 -0.59 0.00 1.57 -0.67 -1.75 116.57 116.37 3ag1 h LYS 411 Ca 0.09 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ag1 h LYS 411 Cb 0.36 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3ag1 h LYS 411 CO 0.02 1.17 0.37 0.82 -0.57 0.00 0.00 179.45 181.26 3ag1 h ILE 412 N 0.63 1.16 -0.41 1.86 2.04 -0.88 -1.04 117.51 120.87 3ag1 h ILE 412 Ca 0.01 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.58 3ag1 h ILE 412 Cb 1.17 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3ag1 h ILE 412 CO 0.12 0.16 0.18 -0.74 0.00 0.00 0.00 178.15 177.88 3ag1 h HIS 413 N 0.80 0.33 -0.14 1.37 2.76 -0.89 -1.56 115.15 117.82 3ag1 h HIS 413 Ca 0.21 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3ag1 h HIS 413 Cb -0.06 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3ag1 h HIS 413 CO -0.03 0.16 0.08 0.35 -1.30 0.00 0.00 177.93 177.19 3ag1 h PHE 414 N 0.37 0.14 -0.46 5.26 3.57 -0.83 -2.06 116.94 122.94 3ag1 h PHE 414 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3ag1 h PHE 414 Cb 0.12 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 3ag1 h PHE 414 CO -0.12 0.09 0.18 0.00 -2.23 0.00 0.00 178.31 176.22 3ag1 h ALA 415 N 1.06 0.56 -0.27 2.41 0.00 -0.66 -0.75 119.26 121.61 3ag1 h ALA 415 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ag1 h ALA 415 Cb -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ag1 h ALA 415 CO -0.03 -0.21 0.11 0.82 0.00 0.00 0.00 179.25 179.94 3ag1 h ILE 416 N 0.36 1.17 -0.45 0.00 2.04 -1.15 -2.32 117.51 117.17 3ag1 h ILE 416 Ca 0.21 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3ag1 h ILE 416 Cb 0.19 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3ag1 h ILE 416 CO -0.20 0.17 0.17 -0.03 0.00 0.00 0.00 178.15 178.26 3ag1 h MET 417 N 0.28 0.67 -0.71 2.37 4.05 -1.06 -0.44 114.93 120.10 3ag1 h MET 417 Ca 0.09 -0.13 0.11 0.00 -0.28 0.00 0.00 59.70 59.49 3ag1 h MET 417 Cb 0.17 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 30.78 3ag1 h MET 417 CO -0.01 0.62 0.32 0.35 0.23 0.00 0.00 176.91 178.43 3ag1 h PHE 418 N 0.58 0.57 0.03 1.39 3.57 -0.99 -1.06 116.94 121.02 3ag1 h PHE 418 Ca 0.15 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3ag1 h PHE 418 Cb 0.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3ag1 h PHE 418 CO 0.00 0.17 -0.01 0.28 -2.23 0.00 0.00 178.31 176.52 3ag1 h VAL 419 N 0.53 1.11 0.15 1.41 2.07 -1.09 -3.11 116.25 117.32 3ag1 h VAL 419 Ca 0.36 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3ag1 h VAL 419 Cb 0.44 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3ag1 h VAL 419 CO -0.31 0.11 -0.34 1.23 0.02 0.00 0.00 177.57 178.28 3ag1 h GLY 420 N -0.22 -0.66 1.31 2.17 0.00 -0.64 -2.01 103.07 103.02 3ag1 h GLY 420 Ca -0.00 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 3ag1 h GLY 420 CO 0.01 -0.26 0.23 -0.39 0.00 0.00 0.00 176.54 176.13 3ag1 h VAL 421 N -0.58 1.22 -0.30 4.60 -1.51 -1.32 -1.38 116.25 116.98 3ag1 h VAL 421 Ca 0.02 -0.69 -0.14 0.00 -1.23 0.00 0.00 66.70 64.66 3ag1 h VAL 421 Cb 0.60 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 3ag1 h VAL 421 CO -0.18 0.27 -0.40 0.78 -1.23 0.00 0.00 177.57 176.81 3ag1 h ASN 422 N 0.86 0.76 0.29 4.19 2.35 -1.46 -1.55 115.58 121.02 3ag1 h ASN 422 Ca 0.20 -0.34 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 3ag1 h ASN 422 Cb 0.18 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3ag1 h ASN 422 CO -0.02 1.07 -0.55 -0.03 -1.65 0.00 0.00 177.43 176.25 3ag1 h MET 423 N 0.58 0.28 -0.28 0.81 4.05 -1.13 -0.40 114.93 118.84 3ag1 h MET 423 Ca 0.05 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 3ag1 h MET 423 Cb 0.94 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 3ag1 h MET 423 CO 0.09 0.75 -0.27 1.15 0.23 0.00 0.00 176.91 178.86 3ag1 h THR 424 N 0.22 1.30 0.00 -0.77 2.02 -1.03 -3.37 112.91 111.28 3ag1 h THR 424 Ca 0.00 -1.43 -0.16 0.00 0.77 0.00 0.00 66.41 65.59 3ag1 h THR 424 Cb 1.03 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 3ag1 h THR 424 CO 0.09 0.46 -1.76 0.49 0.37 0.00 0.00 175.52 175.16 3ag1 n PHE 425 N -4.29 0.00 -0.18 3.16 3.01 -0.60 -4.40 117.46 114.16 3ag1 n PHE 425 Ca -0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.39 3ag1 n PHE 425 Cb 0.46 -0.51 0.07 0.00 -0.01 0.00 0.00 39.48 39.48 3ag1 n PHE 425 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3ag1 h PHE 426 N 0.00 0.51 0.00 1.38 3.57 -1.26 -1.75 116.94 119.40 3ag1 h PHE 426 Ca -0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3ag1 h PHE 426 Cb 1.43 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 3ag1 h PHE 426 CO 0.00 0.24 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.92 3ag1 h PRO 427 N 0.53 0.00 0.00 6.41 0.11 -1.78 -1.52 132.00 135.75 3ag1 h PRO 427 Ca 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 3ag1 h PRO 427 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3ag1 h PRO 427 CO -0.18 0.05 -0.00 1.96 -0.21 0.00 0.00 178.00 179.62 3ag1 h GLN 428 N 0.00 0.00 -0.64 1.05 4.20 -1.52 0.76 115.11 118.96 3ag1 h GLN 428 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3ag1 h GLN 428 Cb 0.38 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3ag1 h GLN 428 CO 0.01 0.00 0.24 0.45 -0.67 0.00 0.00 178.83 178.86 3ag1 h HIS 429 N 0.00 0.99 -0.32 2.96 3.86 -1.39 -2.66 115.15 118.59 3ag1 h HIS 429 Ca -0.00 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3ag1 h HIS 429 Cb 0.09 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 3ag1 h HIS 429 CO 0.00 0.79 0.09 0.74 0.86 0.00 0.00 177.93 180.41 3ag1 h PHE 430 N 0.91 0.53 -1.00 2.45 0.04 -1.04 -1.92 116.94 116.91 3ag1 h PHE 430 Ca 0.21 -0.06 0.10 0.00 2.80 0.00 0.00 57.97 61.02 3ag1 h PHE 430 Cb 0.23 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.15 3ag1 h PHE 430 CO 0.01 0.55 0.64 -0.07 -0.60 0.00 0.00 178.31 178.84 3ag1 h LEU 431 N 0.37 0.97 0.14 1.54 3.38 -1.50 -0.92 115.31 119.29 3ag1 h LEU 431 Ca 0.10 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3ag1 h LEU 431 Cb 0.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ag1 h LEU 431 CO -0.00 0.56 -1.56 1.23 0.09 0.00 0.00 178.44 178.75 3ag1 h GLY 432 N 1.06 0.35 0.90 0.83 0.00 -1.13 0.30 103.07 105.38 3ag1 h GLY 432 Ca 0.47 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.94 3ag1 h GLY 432 CO -0.23 0.78 0.66 1.41 0.00 0.00 0.00 176.54 179.16 3ag1 h LEU 433 N 0.08 1.11 -0.31 3.11 3.38 -1.21 -1.83 115.31 119.64 3ag1 h LEU 433 Ca -0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ag1 h LEU 433 Cb 2.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3ag1 h LEU 433 CO 0.18 0.77 -0.03 -1.54 0.09 0.00 0.00 178.44 177.90 3ag1 n SER 434 N -4.43 0.51 0.00 -0.43 3.41 -0.36 -4.92 113.62 107.40 3ag1 n SER 434 Ca 0.13 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3ag1 n SER 434 Cb 0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3ag1 n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag1 n GLY 435 N 1.14 1.09 3.66 5.00 0.00 -0.69 -5.05 105.19 110.35 3ag1 n GLY 435 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3ag1 n GLY 435 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ag1 s MET 436 N -0.18 4.18 0.66 1.61 0.00 0.03 -5.00 119.30 120.60 3ag1 s MET 436 Ca 0.00 1.70 -0.17 0.00 0.00 0.00 0.00 55.69 57.22 3ag1 s MET 436 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 34.83 31.01 3ag1 s MET 436 CO 0.00 -0.79 1.23 -2.14 0.00 0.00 0.00 175.02 173.32 3ag1 s PRO 437 N 3.69 2.56 0.83 4.11 0.02 -1.26 -2.02 135.00 142.92 3ag1 s PRO 437 Ca 0.58 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 63.35 3ag1 s PRO 437 Cb -0.23 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.51 3ag1 s PRO 437 CO 0.18 -1.53 1.11 1.03 -0.33 0.00 0.00 177.00 177.46 3ag1 s ARG 438 N -3.58 1.77 -0.90 5.54 0.52 -0.57 -4.26 118.95 117.45 3ag1 s ARG 438 Ca 0.77 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 3ag1 s ARG 438 Cb -0.31 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3ag1 s ARG 438 CO 0.39 -2.03 0.00 0.54 0.02 0.00 0.00 175.30 174.22 3ag1 n ARG 439 N -3.80 -0.79 -4.41 3.54 1.74 -1.26 -4.96 116.66 106.71 3ag1 n ARG 439 Ca 0.10 0.56 -0.34 0.00 -0.77 0.00 0.00 57.85 57.40 3ag1 n ARG 439 Cb 0.53 -4.60 -0.12 0.00 -1.02 0.00 0.00 32.46 27.25 3ag1 n ARG 439 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ag1 s TYR 440 N -2.48 3.04 -0.93 -1.55 4.12 -1.26 -5.00 117.35 113.29 3ag1 s TYR 440 Ca 0.00 -0.18 0.27 0.00 0.02 0.00 0.00 57.07 57.18 3ag1 s TYR 440 Cb 0.00 -1.91 0.88 0.00 -1.52 0.00 0.00 41.96 39.41 3ag1 s TYR 440 CO 0.00 0.08 1.70 -1.13 0.02 0.00 0.00 175.55 176.22 3ag1 n SER 441 N 3.18 0.32 -3.56 2.29 3.41 -1.26 -4.92 113.62 113.09 3ag1 n SER 441 Ca -0.18 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 3ag1 n SER 441 Cb 0.53 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3ag1 n SER 441 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag1 s ASP 442 N -3.33 -0.46 0.02 4.04 3.68 -1.26 -4.67 116.67 114.69 3ag1 s ASP 442 Ca 0.12 -0.19 -0.00 0.00 2.13 0.00 0.00 52.55 54.60 3ag1 s ASP 442 Cb 0.17 0.62 -0.02 0.00 -1.45 0.00 0.00 42.92 42.24 3ag1 s ASP 442 CO 0.61 -1.06 -0.03 -0.72 0.13 0.00 0.00 175.17 174.10 3ag1 s TYR 443 N -3.80 0.29 0.87 -5.34 -0.85 -1.26 -5.09 117.35 102.17 3ag1 s TYR 443 Ca 0.04 -0.59 -0.13 0.00 -0.52 0.00 0.00 57.07 55.87 3ag1 s TYR 443 Cb -0.02 -0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.15 3ag1 s TYR 443 CO -0.07 -0.21 0.69 -2.30 -1.52 0.00 0.00 175.55 172.13 3ag1 n PRO 444 N 1.43 -0.11 0.20 -3.49 -0.02 -1.26 -4.83 135.00 126.91 3ag1 n PRO 444 Ca -0.23 0.02 0.04 0.00 -2.02 0.00 0.00 63.50 61.32 3ag1 n PRO 444 Cb 0.56 -2.04 0.44 0.00 -0.02 0.00 0.00 33.50 32.44 3ag1 n PRO 444 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ag1 h ASP 445 N -1.25 0.04 -0.07 2.55 3.45 -2.04 -2.31 116.42 116.78 3ag1 h ASP 445 Ca -0.44 -0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.03 3ag1 h ASP 445 Cb 1.30 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3ag1 h ASP 445 CO 0.39 0.27 0.06 0.00 -1.57 0.00 0.00 179.24 178.39 3ag1 h ALA 446 N 1.73 1.96 -0.05 3.45 0.00 -2.05 -2.39 119.26 121.92 3ag1 h ALA 446 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 446 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ag1 h ALA 446 CO 0.03 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.85 3ag1 n TYR 447 N -4.36 0.07 -0.27 0.00 4.01 -0.87 -4.26 117.16 111.48 3ag1 n TYR 447 Ca -0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 57.90 57.67 3ag1 n TYR 447 Cb 0.16 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.29 3ag1 n TYR 447 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ag1 h THR 448 N 0.65 1.08 -0.51 -0.72 2.02 -1.62 -3.01 112.91 110.79 3ag1 h THR 448 Ca 0.00 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 3ag1 h THR 448 Cb 0.14 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3ag1 h THR 448 CO 0.00 0.16 -0.13 -0.03 0.37 0.00 0.00 175.52 175.89 3ag1 h MET 449 N 0.89 0.97 -0.24 6.66 1.85 -1.84 -0.65 114.93 122.57 3ag1 h MET 449 Ca 0.31 -0.36 -0.17 0.00 -0.61 0.00 0.00 59.70 58.87 3ag1 h MET 449 Cb 0.06 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.04 3ag1 h MET 449 CO -0.13 1.03 -0.51 -1.49 -0.40 0.00 0.00 176.91 175.41 3ag1 h TRP 450 N 0.86 0.97 -0.77 1.39 -0.00 -1.89 -2.50 115.95 114.01 3ag1 h TRP 450 Ca 0.13 -0.36 -0.01 0.00 -0.00 0.00 0.00 58.89 58.66 3ag1 h TRP 450 Cb 0.69 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 29.63 3ag1 h TRP 450 CO 0.04 1.16 0.46 -0.91 -0.00 0.00 0.00 178.44 179.19 3ag1 h ASN 451 N 0.50 0.92 -0.29 -3.49 2.35 -1.38 -1.10 115.58 113.09 3ag1 h ASN 451 Ca 0.00 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3ag1 h ASN 451 Cb 1.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3ag1 h ASN 451 CO 0.11 0.71 0.10 0.74 -1.65 0.00 0.00 177.43 177.44 3ag1 h THR 452 N 1.06 1.19 -0.48 2.81 2.02 -0.91 -1.90 112.91 116.71 3ag1 h THR 452 Ca 0.28 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3ag1 h THR 452 Cb -0.04 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ag1 h THR 452 CO -0.05 0.21 0.16 0.40 0.37 0.00 0.00 175.52 176.61 3ag1 h ILE 453 N 0.32 1.22 -0.63 3.11 2.04 -1.25 -2.01 117.51 120.30 3ag1 h ILE 453 Ca 0.10 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3ag1 h ILE 453 Cb 0.22 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3ag1 h ILE 453 CO -0.00 0.26 0.22 -1.28 0.00 0.00 0.00 178.15 177.35 3ag1 h SER 454 N 0.63 0.91 -0.35 1.72 0.87 -1.10 -1.32 113.55 114.90 3ag1 h SER 454 Ca 0.16 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.41 3ag1 h SER 454 Cb 0.25 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3ag1 h SER 454 CO -0.01 0.86 -0.19 0.28 -0.53 0.00 0.00 176.83 177.24 3ag1 h SER 455 N 0.90 0.84 -0.89 6.23 0.02 -1.28 -2.46 113.55 116.92 3ag1 h SER 455 Ca 0.21 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3ag1 h SER 455 Cb 0.26 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3ag1 h SER 455 CO -0.01 1.01 0.58 0.24 -1.14 0.00 0.00 176.83 177.51 3ag1 h MET 456 N 0.73 1.18 -0.55 3.45 2.07 -1.02 -2.73 114.93 118.06 3ag1 h MET 456 Ca 0.11 -0.08 0.06 0.00 -2.07 0.00 0.00 59.70 57.71 3ag1 h MET 456 Cb 0.71 -0.26 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 3ag1 h MET 456 CO 0.05 0.79 0.37 0.78 1.07 0.00 0.00 176.91 179.97 3ag1 h GLY 457 N 1.21 0.65 2.00 8.32 0.00 -0.80 -1.88 103.07 112.57 3ag1 h GLY 457 Ca 0.32 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3ag1 h GLY 457 CO -0.07 0.16 -0.50 1.48 0.00 0.00 0.00 176.54 177.61 3ag1 h SER 458 N 0.53 0.00 0.75 0.19 4.64 -1.16 -1.26 113.55 117.25 3ag1 h SER 458 Ca 0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 3ag1 h SER 458 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3ag1 h SER 458 CO -0.07 0.50 -0.50 -0.26 -0.87 0.00 0.00 176.83 175.64 3ag1 h PHE 459 N 0.00 0.00 -0.48 4.77 0.05 -1.29 -2.64 116.94 117.35 3ag1 h PHE 459 Ca -0.01 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.66 3ag1 h PHE 459 Cb 0.98 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.91 3ag1 h PHE 459 CO 0.00 0.50 -0.19 0.82 -0.18 0.00 0.00 178.31 179.26 3ag1 h ILE 460 N 0.00 1.27 -0.29 -0.55 2.04 -1.15 -1.78 117.51 117.05 3ag1 h ILE 460 Ca -0.00 -1.34 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 3ag1 h ILE 460 Cb 1.01 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3ag1 h ILE 460 CO 0.06 0.46 -0.32 0.28 0.00 0.00 0.00 178.15 178.63 3ag1 h SER 461 N 0.83 0.65 -0.52 1.72 0.02 -1.45 -1.70 113.55 113.09 3ag1 h SER 461 Ca 0.12 -0.26 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3ag1 h SER 461 Cb 0.75 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.02 3ag1 h SER 461 CO 0.06 0.93 0.02 0.25 -1.14 0.00 0.00 176.83 176.94 3ag1 h LEU 462 N 0.53 -0.18 -1.09 5.07 5.85 -1.24 -1.60 115.31 122.65 3ag1 h LEU 462 Ca 0.06 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3ag1 h LEU 462 Cb 0.82 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3ag1 h LEU 462 CO 0.07 -0.06 0.62 0.74 -0.34 0.00 0.00 178.44 179.46 3ag1 h THR 463 N 0.14 1.19 -0.63 1.05 2.02 -0.43 -1.57 112.91 114.67 3ag1 h THR 463 Ca 0.26 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3ag1 h THR 463 Cb 0.40 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 3ag1 h THR 463 CO -0.42 0.22 0.18 0.00 0.37 0.00 0.00 175.52 175.87 3ag1 h ALA 464 N 1.44 0.83 -0.44 6.16 0.00 -0.97 -1.90 119.26 124.39 3ag1 h ALA 464 Ca 0.36 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3ag1 h ALA 464 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ag1 h ALA 464 CO -0.10 0.52 -0.22 0.28 0.00 0.00 0.00 179.25 179.73 3ag1 h VAL 465 N 0.92 1.27 -0.52 0.00 2.07 -0.49 -1.01 116.25 118.49 3ag1 h VAL 465 Ca 0.20 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3ag1 h VAL 465 Cb 0.32 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ag1 h VAL 465 CO -0.00 0.46 0.26 0.24 0.02 0.00 0.00 177.57 178.56 3ag1 h MET 466 N 0.77 0.74 -0.26 1.57 2.86 -1.16 -2.66 114.93 116.80 3ag1 h MET 466 Ca 0.10 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3ag1 h MET 466 Cb 0.77 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3ag1 h MET 466 CO 0.06 0.60 0.12 1.25 1.06 0.00 0.00 176.91 180.00 3ag1 h LEU 467 N 0.69 0.31 -0.47 1.22 5.85 -1.06 -2.42 115.31 119.43 3ag1 h LEU 467 Ca 0.18 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 3ag1 h LEU 467 Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3ag1 h LEU 467 CO -0.03 0.27 -0.34 -0.03 -0.34 0.00 0.00 178.44 177.98 3ag1 h MET 468 N 0.36 0.90 -0.35 1.25 4.05 -0.85 -1.26 114.93 119.03 3ag1 h MET 468 Ca 0.09 -0.44 0.06 0.00 -0.28 0.00 0.00 59.70 59.13 3ag1 h MET 468 Cb 0.05 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 3ag1 h MET 468 CO -0.01 1.09 0.01 0.28 0.23 0.00 0.00 176.91 178.51 3ag1 h VAL 469 N 0.75 0.76 -0.50 -5.77 2.07 -1.20 -1.57 116.25 110.79 3ag1 h VAL 469 Ca 0.07 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.62 3ag1 h VAL 469 Cb 0.91 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ag1 h VAL 469 CO 0.08 0.02 0.34 0.15 0.02 0.00 0.00 177.57 178.18 3ag1 h PHE 470 N 0.11 0.41 -0.11 1.57 3.57 -1.17 -0.97 116.94 120.36 3ag1 h PHE 470 Ca 0.17 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 3ag1 h PHE 470 Cb 0.22 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.84 3ag1 h PHE 470 CO -0.23 0.22 -0.81 0.82 -2.23 0.00 0.00 178.31 176.08 3ag1 h ILE 471 N 0.41 1.29 -0.38 1.41 2.04 -0.29 0.15 117.51 122.13 3ag1 h ILE 471 Ca 0.22 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 3ag1 h ILE 471 Cb 0.35 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3ag1 h ILE 471 CO -0.06 0.63 0.04 0.40 0.00 0.00 0.00 178.15 179.17 3ag1 h ILE 472 N 0.44 1.25 0.03 -0.67 2.04 -1.10 -2.29 117.51 117.20 3ag1 h ILE 472 Ca -0.07 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3ag1 h ILE 472 Cb 1.45 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3ag1 h ILE 472 CO 0.16 0.31 -0.10 -0.25 0.00 0.00 0.00 178.15 178.27 3ag1 h TRP 473 N 0.49 -0.27 -0.89 1.37 7.01 -0.83 -2.55 115.95 120.28 3ag1 h TRP 473 Ca 0.11 0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.32 3ag1 h TRP 473 Cb 0.40 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.51 3ag1 h TRP 473 CO 0.03 -0.16 0.59 1.49 -2.79 0.00 0.00 178.44 177.60 3ag1 h GLU 474 N -0.19 0.39 -0.07 2.65 4.22 -0.58 0.18 114.58 121.18 3ag1 h GLU 474 Ca 0.03 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 3ag1 h GLU 474 Cb 0.23 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ag1 h GLU 474 CO -0.08 0.26 -0.36 0.00 -2.18 0.00 0.00 179.01 176.64 3ag1 h ALA 475 N 1.61 0.13 0.00 2.92 0.00 -1.08 -1.21 119.26 121.64 3ag1 h ALA 475 Ca 0.46 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ag1 h ALA 475 Cb 1.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3ag1 h ALA 475 CO -0.17 0.22 -0.24 0.74 0.00 0.00 0.00 179.25 179.80 3ag1 h PHE 476 N -0.13 0.00 -0.32 0.00 -1.00 -0.99 -2.18 116.94 112.32 3ag1 h PHE 476 Ca -0.03 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.58 3ag1 h PHE 476 Cb 1.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 3ag1 h PHE 476 CO 0.13 0.24 -0.47 0.00 -1.61 0.00 0.00 178.31 176.61 3ag1 h ALA 477 N 1.76 0.49 0.06 2.45 0.00 -0.51 -3.36 119.26 120.15 3ag1 h ALA 477 Ca -0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 3ag1 h ALA 477 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ag1 h ALA 477 CO 0.03 0.65 -1.94 0.43 0.00 0.00 0.00 179.25 178.43 3ag1 n SER 478 N -4.05 1.48 -3.30 0.00 7.64 -0.47 -5.03 113.62 109.89 3ag1 n SER 478 Ca -0.04 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.95 3ag1 n SER 478 Cb 0.59 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.47 3ag1 n SER 478 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ag1 n LYS 479 N -3.24 -3.53 -2.76 1.43 5.02 -0.83 -4.96 118.16 109.29 3ag1 n LYS 479 Ca -0.27 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 56.46 3ag1 n LYS 479 Cb 1.05 -5.84 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 3ag1 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ag1 s ARG 480 N -4.67 3.47 0.21 1.97 0.52 -1.26 -5.03 118.95 114.16 3ag1 s ARG 480 Ca 0.32 0.07 -0.20 0.00 -0.52 0.00 0.00 55.73 55.40 3ag1 s ARG 480 Cb -0.04 -3.99 -0.08 0.00 0.52 0.00 0.00 34.95 31.36 3ag1 s ARG 480 CO 0.74 -1.42 0.72 -1.21 0.02 0.00 0.00 175.30 174.15 3ag1 s GLU 481 N 4.13 4.29 0.37 3.54 2.02 -1.26 -2.19 118.70 129.60 3ag1 s GLU 481 Ca 0.37 0.90 -0.28 0.00 0.02 0.00 0.00 54.97 55.98 3ag1 s GLU 481 Cb -0.10 -2.95 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 3ag1 s GLU 481 CO 0.24 0.43 1.38 0.08 0.02 0.00 0.00 175.26 177.41 3ag1 s VAL 482 N -1.45 2.41 -0.04 2.63 1.01 -0.75 -4.91 120.40 119.29 3ag1 s VAL 482 Ca 0.41 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.74 3ag1 s VAL 482 Cb -0.18 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3ag1 s VAL 482 CO 0.22 0.08 -0.10 0.18 0.00 0.00 0.00 175.10 175.48 3ag1 n LEU 483 N 0.45 0.68 -4.05 3.92 4.77 -1.26 -4.96 117.00 116.55 3ag1 n LEU 483 Ca 0.02 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 3ag1 n LEU 483 Cb 0.41 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 3ag1 n LEU 483 CO 0.60 -0.47 -0.46 -0.89 -1.33 0.00 0.00 177.39 174.85 3ag1 s THR 484 N -1.65 0.95 -0.13 -5.08 2.01 -1.26 -5.05 115.64 105.42 3ag1 s THR 484 Ca -0.08 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.45 3ag1 s THR 484 Cb 0.01 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3ag1 s THR 484 CO 0.12 0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 3ag1 s VAL 485 N -0.05 2.74 0.72 3.82 1.01 -1.26 -5.15 120.40 122.24 3ag1 s VAL 485 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3ag1 s VAL 485 Cb -0.07 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3ag1 s VAL 485 CO 0.00 0.53 1.08 -1.81 0.00 0.00 0.00 175.10 174.90 3ag1 s ASP 486 N 0.50 4.97 -1.50 3.32 1.01 -1.26 -4.37 116.67 119.35 3ag1 s ASP 486 Ca -0.11 1.74 -0.01 0.00 0.71 0.00 0.00 52.55 54.88 3ag1 s ASP 486 Cb -0.16 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3ag1 s ASP 486 CO 0.04 -1.72 0.16 0.18 0.21 0.00 0.00 175.17 174.04 3ag1 n LEU 487 N -3.23 -2.04 0.28 1.23 4.77 -1.26 -4.89 117.00 111.86 3ag1 n LEU 487 Ca 0.08 -0.09 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3ag1 n LEU 487 Cb 0.53 -2.64 0.90 0.00 -2.33 0.00 0.00 43.42 39.88 3ag1 n LEU 487 CO 0.54 -0.08 1.05 0.71 -1.33 0.00 0.00 177.39 178.28 3ag1 h THR 488 N -0.35 0.00 0.00 -5.08 1.35 -1.85 -3.03 112.91 103.95 3ag1 h THR 488 Ca -0.44 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3ag1 h THR 488 Cb 1.32 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3ag1 h THR 488 CO 0.51 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.13 3ag1 n THR 489 N -2.92 0.76 -1.60 6.82 -2.24 -1.26 -2.40 114.28 111.43 3ag1 n THR 489 Ca -0.01 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.99 3ag1 n THR 489 Cb 0.17 -0.90 0.07 0.00 -2.10 0.00 0.00 70.33 67.56 3ag1 n THR 489 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ag1 n THR 490 N -1.63 0.86 -3.25 4.28 -2.24 -1.15 -4.86 114.28 106.31 3ag1 n THR 490 Ca 0.04 -1.07 -0.23 0.00 -2.27 0.00 0.00 64.05 60.51 3ag1 n THR 490 Cb 0.22 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 3ag1 n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag1 n ASN 491 N -0.63 -0.69 0.28 3.42 3.02 -1.01 -5.00 115.26 114.65 3ag1 n ASN 491 Ca 0.07 -2.55 0.12 0.00 -0.03 0.00 0.00 54.58 52.20 3ag1 n ASN 491 Cb 0.69 -0.26 0.78 0.00 -0.61 0.00 0.00 39.78 40.38 3ag1 n ASN 491 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ag1 h LEU 492 N 5.04 0.00 -1.81 3.41 5.85 -1.88 -2.04 115.31 123.89 3ag1 h LEU 492 Ca 0.18 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ag1 h LEU 492 Cb 0.93 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3ag1 h LEU 492 CO 0.36 0.05 -0.09 1.05 -0.34 0.00 0.00 178.44 179.47 3ag1 h GLU 493 N 0.00 0.00 0.00 1.25 9.09 -1.92 -1.42 114.58 121.58 3ag1 h GLU 493 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ag1 h GLU 493 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3ag1 h GLU 493 CO 0.01 0.09 -0.22 0.91 0.05 0.00 0.00 179.01 179.85 3ag1 n TRP 494 N -3.35 0.07 0.37 2.06 7.02 -0.77 -4.46 117.44 118.38 3ag1 n TRP 494 Ca -0.01 0.02 0.14 0.00 -1.02 0.00 0.00 57.50 56.63 3ag1 n TRP 494 Cb 0.27 -0.43 0.55 0.00 -2.42 0.00 0.00 31.31 29.27 3ag1 n TRP 494 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3ag1 h LEU 495 N 0.00 0.00 -2.41 -0.99 5.85 -1.40 -2.68 115.31 113.67 3ag1 h LEU 495 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ag1 h LEU 495 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3ag1 h LEU 495 CO 0.00 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.69 3ag1 n ASN 496 N -2.50 3.65 -0.28 1.25 3.02 -1.26 -5.07 115.26 114.07 3ag1 n ASN 496 Ca 0.02 -2.47 0.04 0.00 -0.03 0.00 0.00 54.58 52.13 3ag1 n ASN 496 Cb 0.26 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3ag1 n ASN 496 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ag1 n GLY 497 N 0.52 -1.49 2.85 7.41 0.00 -1.01 -4.32 105.19 109.14 3ag1 n GLY 497 Ca 0.17 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 3ag1 n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s PRO 499 N 1.67 3.43 0.83 0.00 0.04 -1.26 -4.24 135.00 135.48 3ag1 s PRO 499 Ca -0.01 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 3ag1 s PRO 499 Cb -0.16 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.37 3ag1 s PRO 499 CO -0.07 -0.63 1.10 -1.25 0.04 0.00 0.00 177.00 176.18 3ag1 s PRO 500 N -5.17 1.77 0.86 0.56 0.04 -1.02 -4.97 135.00 127.07 3ag1 s PRO 500 Ca 0.55 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3ag1 s PRO 500 Cb -0.11 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.69 3ag1 s PRO 500 CO 0.53 -1.97 1.09 -1.25 0.04 0.00 0.00 177.00 175.44 3ag1 s PRO 501 N -4.87 1.54 0.15 0.56 0.04 -1.26 -4.94 135.00 126.22 3ag1 s PRO 501 Ca 0.63 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 3ag1 s PRO 501 Cb -0.18 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3ag1 s PRO 501 CO 0.57 -2.07 1.60 -0.92 0.04 0.00 0.00 177.00 176.22 3ag1 h TYR 502 N -1.43 -0.96 -3.84 0.56 5.03 -2.01 -3.32 116.97 111.01 3ag1 h TYR 502 Ca -0.48 0.05 -0.65 0.00 2.58 0.00 0.00 58.73 60.23 3ag1 h TYR 502 Cb 1.27 0.46 -0.18 0.00 1.55 0.00 0.00 36.73 39.83 3ag1 h TYR 502 CO 0.47 -0.40 -0.51 -1.01 -1.32 0.00 0.00 178.16 175.38 3ag1 s HIS 503 N -5.97 3.22 0.27 -3.82 3.76 -1.26 -4.91 115.29 106.58 3ag1 s HIS 503 Ca -0.15 0.00 0.10 0.00 -0.15 0.00 0.00 55.06 54.86 3ag1 s HIS 503 Cb 0.12 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.36 3ag1 s HIS 503 CO 0.66 -0.23 -0.07 0.95 -0.85 0.00 0.00 174.74 175.21 3ag1 s THR 504 N 1.74 3.15 -1.29 1.30 -4.23 -1.25 -4.68 115.64 110.39 3ag1 s THR 504 Ca 0.07 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3ag1 s THR 504 Cb -0.16 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.02 3ag1 s THR 504 CO 0.11 -0.38 0.25 0.49 -0.54 0.00 0.00 174.62 174.55 3ag1 n PHE 505 N -0.79 -1.58 -0.22 3.99 3.72 -1.26 -4.49 117.46 116.83 3ag1 n PHE 505 Ca -0.06 0.23 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 3ag1 n PHE 505 Cb 0.59 -3.25 0.36 0.00 -0.94 0.00 0.00 39.48 36.24 3ag1 n PHE 505 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ag1 h GLU 506 N -0.52 0.71 -4.89 -1.08 5.08 -1.94 -3.30 114.58 108.64 3ag1 h GLU 506 Ca -0.40 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.27 3ag1 h GLU 506 Cb 1.28 -0.16 -0.19 0.00 0.50 0.00 0.00 28.75 30.18 3ag1 h GLU 506 CO 0.46 0.47 -0.55 -2.00 -1.00 0.00 0.00 179.01 176.39 3ag1 s GLU 507 N -5.67 3.78 1.10 2.33 2.12 -1.26 -5.11 118.70 115.99 3ag1 s GLU 507 Ca -0.10 -0.42 -0.18 0.00 0.36 0.00 0.00 54.97 54.63 3ag1 s GLU 507 Cb 0.20 -3.56 0.25 0.00 0.26 0.00 0.00 34.13 31.28 3ag1 s GLU 507 CO 0.78 -0.22 1.22 -1.25 -0.54 0.00 0.00 175.26 175.25 3ag1 s PRO 508 N 1.70 -0.43 0.75 4.30 0.04 -1.24 -5.01 135.00 135.12 3ag1 s PRO 508 Ca 0.07 -0.27 -0.11 0.00 0.04 0.00 0.00 61.00 60.72 3ag1 s PRO 508 Cb -0.16 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.71 3ag1 s PRO 508 CO 0.08 -3.15 1.08 0.95 0.04 0.00 0.00 177.00 176.01 3ag1 s THR 509 N -3.44 3.44 -0.21 1.26 -4.23 -1.26 -5.03 115.64 106.17 3ag1 s THR 509 Ca 0.73 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.68 3ag1 s THR 509 Cb -0.06 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 3ag1 s THR 509 CO 0.55 -0.61 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.47 3ag1 s TYR 510 N -3.16 2.92 -0.06 3.99 6.14 -1.26 -5.03 117.35 120.89 3ag1 s TYR 510 Ca 0.59 -1.01 -0.01 0.00 0.64 0.00 0.00 57.07 57.28 3ag1 s TYR 510 Cb -0.14 -2.05 0.03 0.00 0.42 0.00 0.00 41.96 40.22 3ag1 s TYR 510 CO 0.54 -0.55 0.02 0.08 0.64 0.00 0.00 175.55 176.27 3ag1 s VAL 511 N 1.34 0.22 0.35 3.14 1.01 -1.26 -5.13 120.40 120.06 3ag1 s VAL 511 Ca 0.04 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 3ag1 s VAL 511 Cb -0.14 -0.39 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 3ag1 s VAL 511 CO -0.04 0.22 0.99 0.20 0.00 0.00 0.00 175.10 176.47 3ag1 s ASN 512 N 1.86 7.12 0.00 3.32 0.02 -1.26 -4.49 114.94 121.51 3ag1 s ASN 512 Ca 0.02 1.93 -0.20 0.00 -1.02 0.00 0.00 52.86 53.60 3ag1 s ASN 512 Cb -0.12 -2.58 -0.25 0.00 0.02 0.00 0.00 41.25 38.32 3ag1 s ASN 512 CO -0.04 -0.23 1.08 0.25 0.02 0.00 0.00 177.10 178.18 3ag1 h LEU 513 N 2.94 0.55 0.00 0.60 7.12 -1.99 -3.48 115.31 121.05 3ag1 h LEU 513 Ca -0.47 -0.79 0.00 0.00 0.13 0.00 0.00 57.88 56.75 3ag1 h LEU 513 Cb 1.20 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 3ag1 h LEU 513 CO 0.64 1.27 0.00 0.29 -0.13 0.00 0.00 178.44 180.51